Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74526088 _cell_length_b 2.74526088 _cell_length_c 2.74526088 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 15.92681645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo
Im-3m
229
cubic
m-3m
10,004.84493
false
[CIF] data_BeReSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06188649 _cell_length_b 3.06188649 _cell_length_c 8.14829877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.87340935 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReSn2 _chemical_formula_sum 'Be1 Re1 Sn2' _cell_volume 73.10273669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 0.00000000 4.07414938 1 Sn Sn2 1 1.82399779 0.00000000 6.18098354 1 Sn Sn3 1 1.82399779 0.00000000 1.96731523 1 [/CIF]
BeReSn2
Cmmm
65
orthorhombic
mmm
9,827.460585
false
[CIF] data_V2TcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44384537 _cell_length_b 4.44384537 _cell_length_c 4.44384537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcSn _chemical_formula_sum 'V2 Tc1 Sn1' _cell_volume 62.05286214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 3.14227320 3.14227319 3.14227320 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.57113660 1.57113660 1.57113660 1 V V3 1 4.71340979 4.71340979 4.71340979 1 [/CIF]
SnTcV2
Fm-3m
225
cubic
m-3m
8,549.821637
false
[CIF] data_TlBiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50065336 _cell_length_b 3.50065336 _cell_length_c 7.13055357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.58618732 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiB2 _chemical_formula_sum 'Tl1 Bi1 B2' _cell_volume 78.14232277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.83985310 -0.00000000 1.75394383 1 B B1 1 1.83985310 -0.00000000 5.37660974 1 Bi Bi2 1 0.00000000 0.00000000 3.56527678 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BiTl
Cmmm
65
orthorhombic
mmm
9,243.527996
false
[CIF] data_Tl2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33868657 _cell_length_b 9.33868657 _cell_length_c 9.33868657 _cell_angle_alpha 19.38884408 _cell_angle_beta 19.38884408 _cell_angle_gamma 19.38884408 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2MoPd _chemical_formula_sum 'Tl2 Mo1 Pd1' _cell_volume 78.47458144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 -0.00000000 -0.00000000 1 Pd Pd1 1 0.00000000 -0.00000000 13.74066737 1 Tl Tl2 1 0.00000000 0.00000000 6.80563438 1 Tl Tl3 1 0.00000000 -0.00000000 20.67570036 1 [/CIF]
MoPdTl2
R-3m
166
trigonal
-3m
12,931.99385
false
[CIF] data_AcCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81161915 _cell_length_b 4.81161915 _cell_length_c 4.81161915 _cell_angle_alpha 130.47989529 _cell_angle_beta 130.47989529 _cell_angle_gamma 72.64072998 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCo3 _chemical_formula_sum 'Ac1 Co3' _cell_volume 62.97520190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 0.00000000 -0.00000000 3.87680724 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 2.01519782 -0.00000000 1.93840362 1 Co Co3 1 0.00000000 2.01519782 1.93840362 1 [/CIF]
AcCo3
I4/mmm
139
tetragonal
4/mmm
10,647.444799
false
[CIF] data_KTiZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87950914 _cell_length_b 4.87950914 _cell_length_c 4.87950914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiZnPd _chemical_formula_sum 'K1 Ti1 Zn1 Pd1' _cell_volume 82.15110492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 5.17550100 5.17550100 5.17550100 1 Ti Ti2 1 3.45033400 3.45033400 3.45033400 1 Zn Zn3 1 1.72516700 1.72516700 1.72516700 1 [/CIF]
KPdTiZn
F-43m
216
cubic
-43m
5,230.482172
false
[CIF] data_Na2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24023590 _cell_length_b 3.24023590 _cell_length_c 8.67153937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2HgP _chemical_formula_sum 'Na2 Hg1 P1' _cell_volume 91.04360762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.33576968 1 Na Na1 1 1.62011795 1.62011795 6.86269381 1 Na Na2 1 1.62011795 1.62011795 1.80884556 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNa2P
P4/mmm
123
tetragonal
4/mmm
5,062.115661
false
[CIF] data_Hf2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69281698 _cell_length_b 4.69281698 _cell_length_c 3.27044470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2IrPd _chemical_formula_sum 'Hf2 Ir1 Pd1' _cell_volume 72.02347046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.34640849 1.63522235 1 Hf Hf1 1 2.34640849 0.00000000 1.63522235 1 Ir Ir2 1 2.34640849 2.34640849 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2IrPd
P4/mmm
123
tetragonal
4/mmm
15,115.659101
false
[CIF] data_ZrCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34910289 _cell_length_b 4.34910289 _cell_length_c 3.47105193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr2In _chemical_formula_sum 'Zr1 Cr2 In1' _cell_volume 65.65389180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 2.17455144 1.73552597 1 Cr Cr1 1 2.17455144 0.00000000 1.73552597 1 In In2 1 2.17455144 2.17455144 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2InZr
P4/mmm
123
tetragonal
4/mmm
7,841.508148
false
[CIF] data_NbAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89544794 _cell_length_b 2.89544794 _cell_length_c 7.93909833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Au _chemical_formula_sum 'Nb1 Al2 Au1' _cell_volume 66.55837380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.44772397 1.44772397 2.01658290 1 Al Al1 1 1.44772397 1.44772397 5.92251543 1 Au Au2 1 0.00000000 0.00000000 3.96954917 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2AuNb
P4/mmm
123
tetragonal
4/mmm
8,578.231729
false
[CIF] data_Ag5Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31866802 _cell_length_b 8.31866802 _cell_length_c 8.45936017 _cell_angle_alpha 100.38006115 _cell_angle_beta 100.38006115 _cell_angle_gamma 129.25246750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag5Br3 _chemical_formula_sum 'Ag10 Br6' _cell_volume 411.28880003 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.01686986 0.00000000 3.56225129 1 Ag Ag1 1 3.61818959 0.00000000 3.56404438 1 Ag Ag2 1 1.79982090 1.41953217 4.98039367 1 Ag Ag3 1 1.78389997 -1.94858634 2.07107607 1 Ag Ag4 1 5.38236481 -1.56044805 2.08814487 1 Ag Ag5 1 -1.74377721 1.33559831 5.55592424 1 Ag Ag6 1 1.78389997 1.94858634 2.07107607 1 Ag Ag7 1 1.79982090 -1.41953217 4.98039367 1 Ag Ag8 1 -1.74377721 -1.33559831 5.55592424 1 Ag Ag9 1 5.38236481 1.56044805 2.08814487 1 Br Br10 1 3.50907522 3.77204347 0.65384674 1 Br Br11 1 3.50907522 -3.77204347 0.65384674 1 Br Br12 1 1.80385163 0.00000000 0.17936242 1 Br Br13 1 1.80559639 0.00000000 7.33739868 1 Br Br14 1 1.72021887 -4.01035513 4.16692829 1 Br Br15 1 1.72021887 4.01035513 4.16692829 1 [/CIF]
Ag10Br6
Cm
8
monoclinic
m
6,290.703473
false
[CIF] data_Ca2GaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78018273 _cell_length_b 4.78018273 _cell_length_c 3.83239061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GaCo _chemical_formula_sum 'Ca2 Ga1 Co1' _cell_volume 87.57068854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.39009137 0.00000000 1.91619531 1 Ca Ca1 1 0.00000000 2.39009137 1.91619531 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 2.39009137 2.39009137 0.00000000 1 [/CIF]
Ca2CoGa
P4/mmm
123
tetragonal
4/mmm
3,959.553284
false
[CIF] data_HgAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29321021 _cell_length_b 6.29321021 _cell_length_c 6.29321021 _cell_angle_alpha 143.13787489 _cell_angle_beta 138.46268115 _cell_angle_gamma 56.72861268 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgAsSe2 _chemical_formula_sum 'Hg1 As1 Se2' _cell_volume 98.35059779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 -0.00000000 0.00000000 5.53767699 1 Se Se2 1 1.98968285 0.00000000 1.91181487 1 Se Se3 1 -0.00000000 2.23154442 3.62586212 1 [/CIF]
AsHgSe2
Immm
71
orthorhombic
mmm
7,318.004371
false
[CIF] data_Rb2PaTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30887458 _cell_length_b 6.30887458 _cell_length_c 6.30887458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2PaTl _chemical_formula_sum 'Rb2 Pa1 Tl1' _cell_volume 177.55817977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 4.46104800 4.46104800 4.46104800 1 Rb Rb1 1 2.23052400 2.23052400 2.23052400 1 Rb Rb2 1 6.69157200 6.69157200 6.69157200 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PaRb2Tl
Fm-3m
225
cubic
m-3m
5,670.681022
false
[CIF] data_BaCeDy2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98806165 _cell_length_b 5.98806165 _cell_length_c 5.98806165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCeDy2 _chemical_formula_sum 'Ba1 Ce1 Dy2' _cell_volume 151.82517536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Ce Ce1 1 4.23419900 4.23419900 4.23419900 1 Dy Dy2 1 2.11709950 2.11709950 2.11709950 1 Dy Dy3 1 6.35129850 6.35129850 6.35129850 1 [/CIF]
BaCeDy2
Fm-3m
225
cubic
m-3m
6,589.026718
false
[CIF] data_Ba3YCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53844538 _cell_length_b 6.53844538 _cell_length_c 6.53844538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3YCd _chemical_formula_sum 'Ba3 Y1 Cd1' _cell_volume 279.52683066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 0.00000000 3.26922269 0.00000000 1 Ba Ba2 1 0.00000000 0.00000000 3.26922269 1 Ba Ba3 1 3.26922269 0.00000000 0.00000000 1 Cd Cd4 1 3.26922269 3.26922269 3.26922269 1 [/CIF]
Ba3CdY
Pm-3m
221
cubic
m-3m
3,643.317663
false
[CIF] data_CdSiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15012817 _cell_length_b 4.15012817 _cell_length_c 4.15012817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiNi _chemical_formula_sum 'Cd1 Si1 Ni1' _cell_volume 50.54399081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.40187566 4.40187566 4.40187566 1 Ni Ni1 1 1.46729188 1.46729189 1.46729189 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNiSi
F-43m
216
cubic
-43m
6,544.054107
false
[CIF] data_MnZn2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50443082 _cell_length_b 4.50443082 _cell_length_c 4.50443082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2Cd _chemical_formula_sum 'Mn1 Zn2 Cd1' _cell_volume 64.62562658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.59255679 1.59255679 1.59255679 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.77767037 4.77767037 4.77767037 1 Zn Zn3 1 3.18511358 3.18511358 3.18511358 1 [/CIF]
CdMnZn2
F-43m
216
cubic
-43m
7,659.836221
false
[CIF] data_CdSi2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01636047 _cell_length_b 4.01636047 _cell_length_c 6.04426301 _cell_angle_alpha 103.16922614 _cell_angle_beta 103.16922614 _cell_angle_gamma 44.29042526 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSi2Ni _chemical_formula_sum 'Cd1 Si2 Ni1' _cell_volume 65.99269137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.97671670 -0.00000000 2.92928160 1 Ni Ni1 1 0.00000000 -0.00000000 0.00000000 1 Si Si2 1 0.72450744 -0.00000000 4.87825462 1 Si Si3 1 5.22892596 -0.00000000 0.98030858 1 [/CIF]
CdNiSi2
C2/m
12
monoclinic
2/m
5,718.810261
false
[CIF] data_Y2NbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07867128 _cell_length_b 5.07867128 _cell_length_c 5.07867128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NbPd _chemical_formula_sum 'Y2 Nb1 Pd1' _cell_volume 92.62651269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.59116290 3.59116290 3.59116290 1 Y Y2 1 1.79558145 1.79558145 1.79558145 1 Y Y3 1 5.38674435 5.38674435 5.38674435 1 [/CIF]
NbPdY2
Fm-3m
225
cubic
m-3m
6,761.068606
false
[CIF] data_HfTa2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17922518 _cell_length_b 9.17922518 _cell_length_c 9.17922518 _cell_angle_alpha 19.31866239 _cell_angle_beta 19.31866239 _cell_angle_gamma 19.31866239 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTa2Si _chemical_formula_sum 'Hf1 Ta2 Si1' _cell_volume 73.99988087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 13.50793978 1 Si Si1 1 0.00000000 -0.00000000 -0.00000000 1 Ta Ta2 1 0.00000000 -0.00000000 6.95159672 1 Ta Ta3 1 0.00000000 -0.00000000 20.06428283 1 [/CIF]
HfSiTa2
R-3m
166
trigonal
-3m
12,756.354791
false
[CIF] data_Zn2CrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96153273 _cell_length_b 4.96153273 _cell_length_c 4.96153273 _cell_angle_alpha 143.10285790 _cell_angle_beta 129.46353349 _cell_angle_gamma 64.19551398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrRh _chemical_formula_sum 'Zn2 Cr1 Rh1' _cell_volume 55.90565528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 -0.00000000 4.23464770 1 Rh Rh1 1 -0.00000000 2.11786271 2.09676438 1 Zn Zn2 1 0.00000000 -0.00000000 0.01958875 1 Zn Zn3 1 1.57009345 -0.00000000 2.05525187 1 [/CIF]
CrRhZn2
Imm2
44
orthorhombic
mm2
8,484.870524
false
[CIF] data_Tb3Ho _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16134346 _cell_length_b 6.16134346 _cell_length_c 6.16134346 _cell_angle_alpha 131.95394801 _cell_angle_beta 131.95394801 _cell_angle_gamma 70.30177072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Ho _chemical_formula_sum 'Tb3 Ho1' _cell_volume 126.78208674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 2.50830600 0.00000000 2.51887650 1 Tb Tb1 1 0.00000000 2.50830600 2.51887650 1 Tb Tb2 1 0.00000000 0.00000000 0.00000000 1 Ho Ho3 1 0.00000000 -0.00000000 5.03775300 1 [/CIF]
HoTb3
I4/mmm
139
tetragonal
4/mmm
8,404.803266
false
[CIF] data_BaAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76219023 _cell_length_b 5.76219023 _cell_length_c 5.76219023 _cell_angle_alpha 143.82869387 _cell_angle_beta 130.01614812 _cell_angle_gamma 63.23966736 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlZn _chemical_formula_sum 'Ba1 Al1 Zn1' _cell_volume 85.47184212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 9.78203531 1 Ba Ba1 1 -0.00000000 0.00000000 6.53439530 1 Zn Zn2 1 -0.00000000 0.00000000 3.31063799 1 [/CIF]
AlBaZn
Imm2
44
orthorhombic
mm2
4,462.367746
false
[CIF] data_Ta4Te16Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.00788401 _cell_length_b 11.00788401 _cell_length_c 17.99259825 _cell_angle_alpha 119.58384651 _cell_angle_beta 119.58384651 _cell_angle_gamma 19.76742535 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Te16Pd3 _chemical_formula_sum 'Ta4 Te16 Pd3' _cell_volume 638.08788902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd1 1 15.19902328 -0.00000000 4.78654974 1 Pd Pd2 1 -2.52672088 -0.00000000 10.78369471 1 Ta Ta3 1 7.68331126 0.00000000 2.34727243 1 Ta Ta4 1 2.57254579 0.00000000 6.50356296 1 Ta Ta5 1 10.09975661 0.00000000 9.06668149 1 Ta Ta6 1 4.98899113 -0.00000000 13.22297202 1 Te Te7 1 18.88405534 -0.00000000 0.24914182 1 Te Te8 1 10.60190451 0.00000000 1.91966680 1 Te Te9 1 16.40675040 -0.00000000 2.07909365 1 Te Te10 1 2.61832254 -0.00000000 3.82956624 1 Te Te11 1 -1.98357739 0.00000000 4.15949770 1 Te Te12 1 6.33770840 0.00000000 4.93750124 1 Te Te13 1 11.28369175 0.00000000 6.38157586 1 Te Te14 1 15.17227991 -0.00000000 7.54758927 1 Te Te15 1 -2.49997751 -0.00000000 8.02265518 1 Te Te16 1 1.38861065 0.00000000 9.18866859 1 Te Te17 1 6.33459400 -0.00000000 10.63274321 1 Te Te18 1 14.65587978 -0.00000000 11.41074676 1 Te Te19 1 10.05397986 -0.00000000 11.74067821 1 Te Te20 1 -3.73444800 0.00000000 13.49115080 1 Te Te21 1 2.07039788 0.00000000 13.65057765 1 Te Te22 1 -6.21175294 -0.00000000 15.32110263 1 [/CIF]
Pd3Ta4Te16
C2/m
12
monoclinic
2/m
8,027.396294
false
[CIF] data_TaCrReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31004970 _cell_length_b 4.31004970 _cell_length_c 4.31004970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrReNi _chemical_formula_sum 'Ta1 Cr1 Re1 Ni1' _cell_volume 56.61504235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.52383268 1.52383269 1.52383268 1 Re Re2 1 3.04766537 3.04766537 3.04766537 1 Ta Ta3 1 4.57149805 4.57149805 4.57149805 1 [/CIF]
CrNiReTa
F-43m
216
cubic
-43m
14,015.343412
false
[CIF] data_Na2BeNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22567424 _cell_length_b 6.22567424 _cell_length_c 2.51676491 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 127.73413098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2BeNb _chemical_formula_sum 'Na2 Be1 Nb1' _cell_volume 77.14620292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.37106560 2.79462593 1.25838246 1 Na Na2 1 1.37106560 -2.79462592 1.25838246 1 Nb Nb3 1 2.74213120 -0.00000000 0.00000000 1 [/CIF]
BeNa2Nb
Cmmm
65
orthorhombic
mmm
3,183.443443
false
[CIF] data_Na2CrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14839843 _cell_length_b 5.14839843 _cell_length_c 5.14839843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrSn _chemical_formula_sum 'Na2 Cr1 Sn1' _cell_volume 96.49425313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.82023372 1.82023372 1.82023372 1 Na Na2 1 5.46070116 5.46070116 5.46070116 1 Sn Sn3 1 3.64046744 3.64046744 3.64046744 1 [/CIF]
CrNa2Sn
Fm-3m
225
cubic
m-3m
3,728.874584
false
[CIF] data_Sr2MgCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40366991 _cell_length_b 5.40366991 _cell_length_c 5.40366991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MgCo _chemical_formula_sum 'Sr2 Mg1 Co1' _cell_volume 111.57102891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.82097164 3.82097164 3.82097164 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.73145746 5.73145746 5.73145746 1 Sr Sr3 1 1.91048582 1.91048582 1.91048582 1 [/CIF]
CoMgSr2
Fm-3m
225
cubic
m-3m
3,846.994555
false
[CIF] data_ZrMnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69154707 _cell_length_b 4.69154707 _cell_length_c 4.69154707 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnSe2 _chemical_formula_sum 'Zr1 Mn1 Se2' _cell_volume 73.01855546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.65871237 1.65871238 1.65871237 1 Se Se2 1 4.97613712 4.97613712 4.97613712 1 Zr Zr3 1 3.31742475 3.31742475 3.31742475 1 [/CIF]
MnSe2Zr
Fm-3m
225
cubic
m-3m
6,915.230136
false
[CIF] data_TlCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89256779 _cell_length_b 4.89256779 _cell_length_c 4.89256779 _cell_angle_alpha 131.03095349 _cell_angle_beta 131.03095349 _cell_angle_gamma 71.76390506 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoPt2 _chemical_formula_sum 'Tl1 Co1 Pt2' _cell_volume 65.19522407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 2.02771214 -0.00000000 1.98204355 1 Pt Pt2 1 -0.00000000 2.02771214 1.98204355 1 Tl Tl3 1 0.00000000 -0.00000000 3.96408710 1 [/CIF]
CoPt2Tl
I4/mmm
139
tetragonal
4/mmm
16,644.417575
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97832510 _cell_length_b 4.69999380 _cell_length_c 2.59897734 _cell_angle_alpha 80.43167041 _cell_angle_beta 68.58452669 _cell_angle_gamma 30.98380289 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V2 _cell_volume 27.74290137 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.42493933 2.17352965 7.74541409 1 V V1 1 1.42493933 2.17352965 1.21215023 1 [/CIF]
V4
Fmmm
69
orthorhombic
mmm
6,098.161813
false
[CIF] data_NaFe3H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84281846 _cell_length_b 3.84281846 _cell_length_c 3.84281846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe3H _chemical_formula_sum 'Na1 Fe3 H1' _cell_volume 56.74787519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.92140923 1.92140923 1.92140923 1 Fe Fe1 1 0.00000000 1.92140923 0.00000000 1 Fe Fe2 1 0.00000000 0.00000000 1.92140923 1 Fe Fe3 1 1.92140923 0.00000000 0.00000000 1 H H4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe3HNa
Pm-3m
221
cubic
m-3m
5,604.571894
false
[CIF] data_BaGaBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26908369 _cell_length_b 5.26908369 _cell_length_c 5.26908369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGaBiIr _chemical_formula_sum 'Ba1 Ga1 Bi1 Ir1' _cell_volume 103.44042418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.72580481 3.72580481 3.72580481 1 Bi Bi1 1 1.86290240 1.86290240 1.86290241 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 5.58870721 5.58870721 5.58870722 1 [/CIF]
BaBiGaIr
F-43m
216
cubic
-43m
9,764.253945
false
[CIF] data_MnNbFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60798869 _cell_length_b 4.08414954 _cell_length_c 4.95385911 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.23323457 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbFe2 _chemical_formula_sum 'Mn1 Nb1 Fe2' _cell_volume 51.56747242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.15595243 2.04207477 3.72211013 1 Fe Fe1 1 1.71425942 2.04207477 1.11926245 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.77915350 0.00000000 2.42068629 1 [/CIF]
Fe2MnNb
P2/m
10
monoclinic
2/m
8,357.342945
false
[CIF] data_Zr2CoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86148101 _cell_length_b 5.35969694 _cell_length_c 5.35969694 _cell_angle_alpha 40.06274237 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CoAs _chemical_formula_sum 'Zr2 Co1 As1' _cell_volume 71.39503483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.93074051 -0.00000000 3.05084808 1 Co Co1 1 0.00000000 0.00000000 4.63233229 1 Zr Zr2 1 1.93074051 -0.00000000 0.19893423 1 Zr Zr3 1 0.00000000 -0.00000000 7.33409608 1 [/CIF]
AsCoZr2
Amm2
38
orthorhombic
mm2
7,356.721338
false
[CIF] data_Cr2GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69351090 _cell_length_b 3.97983332 _cell_length_c 5.03384586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2GaPt _chemical_formula_sum 'Cr2 Ga1 Pt1' _cell_volume 53.96144043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.34675545 1.98991666 3.95561354 1 Cr Cr1 1 1.34675545 1.98991666 1.07823232 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 2.51692293 1 [/CIF]
Cr2GaPt
Pmmm
47
orthorhombic
mmm
11,348.946108
false
[CIF] data_Sr2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21326938 _cell_length_b 5.21326938 _cell_length_c 4.19902845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GaAs _chemical_formula_sum 'Sr2 Ga1 As1' _cell_volume 114.12194099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.60663469 2.60663469 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.60663469 2.09951423 1 Sr Sr3 1 2.60663469 0.00000000 2.09951423 1 [/CIF]
AsGaSr2
P4/mmm
123
tetragonal
4/mmm
4,654.517531
false
[CIF] data_UAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17442152 _cell_length_b 5.17442152 _cell_length_c 5.17442152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UAgPb2 _chemical_formula_sum 'U1 Ag1 Pb2' _cell_volume 97.96488108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.48830282 5.48830282 5.48830282 1 Pb Pb2 1 1.82943427 1.82943427 1.82943427 1 U U3 1 3.65886855 3.65886855 3.65886855 1 [/CIF]
AgPb2U
Fm-3m
225
cubic
m-3m
12,887.302465
false
[CIF] data_FeNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34375981 _cell_length_b 4.34375981 _cell_length_c 4.34375981 _cell_angle_alpha 99.39511477 _cell_angle_beta 99.39511477 _cell_angle_gamma 132.33903914 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi4 _chemical_formula_sum 'Fe1 Ni4' _cell_volume 55.41701177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.12300456 3.37191480 -0.00000000 1 Ni Ni2 1 0.56227412 1.68663612 1.75501789 1 Ni Ni3 1 1.68663612 -0.56227412 1.75501789 1 Ni Ni4 1 2.24736656 1.12300456 0.00000000 1 [/CIF]
FeNi4
I4/m
87
tetragonal
4/m
8,708.220154
false
[CIF] data_LiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66006954 _cell_length_b 2.66006954 _cell_length_c 4.33817900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRh _chemical_formula_sum 'Li1 Rh1' _cell_volume 26.58422956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.33003475 0.76789594 2.16908950 1 [/CIF]
LiRh
P-6m2
187
hexagonal
-6m2
6,861.392647
false
[CIF] data_Ni2TeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99370720 _cell_length_b 5.99370720 _cell_length_c 5.99370720 _cell_angle_alpha 144.37522660 _cell_angle_beta 144.37522660 _cell_angle_gamma 51.26656458 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2TeBr _chemical_formula_sum 'Ni2 Te1 Br1' _cell_volume 72.66305944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 5.40381482 1 Ni Ni1 1 -0.00000000 1.83348185 2.70190741 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.83348185 0.00000000 2.70190741 1 [/CIF]
BrNi2Te
I-4m2
119
tetragonal
-42m
7,424.596073
false
[CIF] data_Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05083422 _cell_length_b 3.05083422 _cell_length_c 3.05083422 _cell_angle_alpha 107.70189443 _cell_angle_beta 107.70189443 _cell_angle_gamma 107.70189443 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc _chemical_formula_sum Sc1 _cell_volume 23.18069303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc6
R-3m
166
trigonal
-3m
3,220.397597
false
[CIF] data_TiReAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83320565 _cell_length_b 4.61057528 _cell_length_c 5.05573280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.58592709 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiReAu2 _chemical_formula_sum 'Ti1 Re1 Au2' _cell_volume 66.03810769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.43374321 2.30528764 4.89401882 1 Au Au1 1 2.46416023 0.00000000 1.44746155 1 Re Re2 1 1.06957636 2.30528764 2.40134149 1 Ti Ti3 1 0.98628226 0.00000000 3.89584928 1 [/CIF]
Au2ReTi
Pm
6
monoclinic
m
15,791.342655
false
[CIF] data_Sr6Cu3N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64226672 _cell_length_b 8.64226672 _cell_length_c 7.30994063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Cu3N5 _chemical_formula_sum 'Sr12 Cu6 N10' _cell_volume 545.97050410 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 7.42508175 4.32113336 3.17351869 1 Cu Cu1 1 1.21718497 4.32113336 3.17351869 1 Cu Cu2 1 0.00000000 0.00000000 3.44578745 1 Cu Cu3 1 4.32113336 7.42508175 6.82848901 1 Cu Cu4 1 4.32113336 1.21718497 6.82848901 1 Cu Cu5 1 0.00000000 0.00000000 7.10075776 1 N N6 1 4.32113336 0.00000000 0.97965734 1 N N7 1 6.21698093 4.32113336 1.74578597 1 N N8 1 2.42528579 4.32113336 1.74578597 1 N N9 1 6.79768611 0.00000000 3.53513904 1 N N10 1 1.84458061 0.00000000 3.53513904 1 N N11 1 0.00000000 4.32113336 4.63462765 1 N N12 1 4.32113336 6.21698093 5.40075629 1 N N13 1 4.32113336 2.42528579 5.40075629 1 N N14 1 0.00000000 6.79768611 7.19010936 1 N N15 1 0.00000000 1.84458061 7.19010936 1 Sr Sr16 1 0.00000000 4.32113336 0.16594304 1 Sr Sr17 1 6.62191097 6.93633659 1.54695295 1 Sr Sr18 1 2.02035575 6.93633659 1.54695295 1 Sr Sr19 1 6.62191097 1.70593013 1.54695295 1 Sr Sr20 1 2.02035575 1.70593013 1.54695295 1 Sr Sr21 1 4.32113336 4.32113336 3.67375101 1 Sr Sr22 1 4.32113336 0.00000000 3.82091335 1 Sr Sr23 1 6.93633659 6.62191097 5.20192327 1 Sr Sr24 1 1.70593013 6.62191097 5.20192327 1 Sr Sr25 1 6.93633659 2.02035575 5.20192327 1 Sr Sr26 1 1.70593013 2.02035575 5.20192327 1 Sr Sr27 1 4.32113336 4.32113336 0.01878070 1 [/CIF]
Cu6N10Sr12
P4_2mc
105
tetragonal
4mm
4,783.532435
false
[CIF] data_K3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31445396 _cell_length_b 9.98859976 _cell_length_c 6.30792433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Ir _chemical_formula_sum 'K12 Ir4' _cell_volume 586.87888792 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 8.09296513 7.49144982 3.56433181 1 Ir Ir1 1 5.87871581 2.49714994 0.41036965 1 Ir Ir2 1 3.43573815 7.49144982 5.89755468 1 Ir Ir3 1 1.22148883 2.49714994 2.74359252 1 K K4 1 0.24320496 7.49144982 0.50962553 1 K K5 1 4.41402202 2.49714994 3.66358770 1 K K6 1 4.90043194 7.49144982 2.64433663 1 K K7 1 9.07124900 2.49714994 5.79829880 1 K K8 1 1.52363668 9.32413483 3.83526947 1 K K9 1 3.13359030 0.66446493 0.68130730 1 K K10 1 6.18086366 5.65876481 5.62661703 1 K K11 1 7.79081728 4.32983495 2.47265486 1 K K12 1 7.79081728 0.66446493 2.47265486 1 K K13 1 6.18086366 9.32413483 5.62661703 1 K K14 1 3.13359030 4.32983495 0.68130730 1 K K15 1 1.52363668 5.65876481 3.83526947 1 [/CIF]
Ir4K12
Pnma
62
orthorhombic
mmm
3,502.982384
false
[CIF] data_LiTbNp2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16179041 _cell_length_b 5.16179041 _cell_length_c 5.16179041 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTbNp2 _chemical_formula_sum 'Li1 Tb1 Np2' _cell_volume 97.24921418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 5.47490550 5.47490550 5.47490550 1 Np Np2 1 1.82496850 1.82496850 1.82496850 1 Tb Tb3 1 3.64993700 3.64993700 3.64993700 1 [/CIF]
LiNp2Tb
Fm-3m
225
cubic
m-3m
10,925.775396
false
[CIF] data_Zn2PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80060377 _cell_length_b 2.80060377 _cell_length_c 7.60745111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PdW _chemical_formula_sum 'Zn2 Pd1 W1' _cell_volume 59.66814112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 3.75404844 1 W W1 1 1.40030189 1.40030189 5.70240948 1 Zn Zn2 1 0.00000000 0.00000000 0.02869493 1 Zn Zn3 1 1.40030189 1.40030189 1.92602381 1 [/CIF]
PdWZn2
P4mm
99
tetragonal
4mm
11,716.808077
false
[CIF] data_KNa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15688973 _cell_length_b 11.15688973 _cell_length_c 11.15688973 _cell_angle_alpha 16.66083676 _cell_angle_beta 16.66083676 _cell_angle_gamma 16.66083676 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNa2Ir _chemical_formula_sum 'K1 Na2 Ir1' _cell_volume 99.55932716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 -0.00000000 16.49948223 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 0.00000000 -0.00000000 24.82308360 1 Na Na3 1 -0.00000000 -0.00000000 8.17588085 1 [/CIF]
IrKNa2
R-3m
166
trigonal
-3m
4,624.97011
false
[CIF] data_Nb2HgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81739240 _cell_length_b 4.81739240 _cell_length_c 3.09894583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2HgAs _chemical_formula_sum 'Nb2 Hg1 As1' _cell_volume 71.91807115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.40869620 2.40869620 0.00000000 1 Nb Nb2 1 2.40869620 0.00000000 1.54947292 1 Nb Nb3 1 0.00000000 2.40869620 1.54947292 1 [/CIF]
AsHgNb2
P4/mmm
123
tetragonal
4/mmm
10,651.663899
false
[CIF] data_ZrScAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84450640 _cell_length_b 4.84450640 _cell_length_c 3.40603693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScAu2 _chemical_formula_sum 'Zr1 Sc1 Au2' _cell_volume 79.93710586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.42225320 0.00000000 1.70301847 1 Au Au1 1 0.00000000 2.42225320 1.70301847 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.42225320 2.42225320 0.00000000 1 [/CIF]
Au2ScZr
P4/mmm
123
tetragonal
4/mmm
11,012.075304
false
[CIF] data_TiCr2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94003165 _cell_length_b 2.94003165 _cell_length_c 6.32270078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCr2Ge _chemical_formula_sum 'Ti1 Cr2 Ge1' _cell_volume 54.65207314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.47001582 1.47001582 0.24606289 1 Cr Cr1 1 0.00000000 0.00000000 1.47916923 1 Ge Ge2 1 1.47001582 1.47001582 2.95724564 1 Ti Ti3 1 0.00000000 0.00000000 4.80157341 1 [/CIF]
Cr2GeTi
P4mm
99
tetragonal
4mm
6,821.144572
false
[CIF] data_Pb2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58319169 _cell_length_b 5.58319169 _cell_length_c 3.10139441 _cell_angle_alpha 96.27385205 _cell_angle_beta 96.27385205 _cell_angle_gamma 97.08309285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2WSe _chemical_formula_sum 'Pb2 W1 Se1' _cell_volume 94.62305375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.59229673 2.09212244 1.52942778 1 Pb Pb1 1 1.59229673 -2.09212243 1.52942778 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.69650163 0.00000000 0.00000000 1 [/CIF]
Pb2SeW
C2/m
12
monoclinic
2/m
11,884.176332
false
[CIF] data_OsWAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97927718 _cell_length_b 4.97927718 _cell_length_c 4.97927718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsWAu3 _chemical_formula_sum 'Os1 W1 Au3' _cell_volume 123.45222113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.48963859 2.48963859 2.48963859 1 Au Au1 1 0.00000000 2.48963859 0.00000000 1 Au Au2 1 0.00000000 0.00000000 2.48963859 1 Au Au3 1 2.48963859 0.00000000 0.00000000 1 W W4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au3OsW
Pm-3m
221
cubic
m-3m
12,979.676525
false
[CIF] data_BaNaReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22619692 _cell_length_b 5.22619692 _cell_length_c 5.22619692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaReSn _chemical_formula_sum 'Ba1 Na1 Re1 Sn1' _cell_volume 100.93512157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.84773964 1.84773964 1.84773964 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.54321892 5.54321892 5.54321892 1 Sn Sn3 1 3.69547928 3.69547928 3.69547928 1 [/CIF]
BaNaReSn
F-43m
216
cubic
-43m
7,653.816005
false
[CIF] data_BaTaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90841443 _cell_length_b 6.90841443 _cell_length_c 6.90841443 _cell_angle_alpha 150.03829529 _cell_angle_beta 150.03829529 _cell_angle_gamma 42.88519251 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaNb _chemical_formula_sum 'Ba1 Ta1 Nb1' _cell_volume 82.02620276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 0.00184342 1 Nb Nb1 1 0.00000000 -0.00000000 9.13415196 1 Ta Ta2 1 -0.00000000 0.00000000 3.72449190 1 [/CIF]
BaNbTa
I4mm
107
tetragonal
4mm
8,323.962449
false
[CIF] data_KAu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99686703 _cell_length_b 3.99686703 _cell_length_c 6.67952982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAu2Cl _chemical_formula_sum 'K1 Au2 Cl1' _cell_volume 106.70512855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.99843352 0.00000000 3.33976491 1 Au Au1 1 0.00000000 1.99843352 3.33976491 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 K K3 1 1.99843352 1.99843352 0.00000000 1 [/CIF]
Au2ClK
P4/mmm
123
tetragonal
4/mmm
7,290.52785
false
[CIF] data_TiMn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06394920 _cell_length_b 5.06394920 _cell_length_c 5.06394920 _cell_angle_alpha 135.82019702 _cell_angle_beta 135.82019702 _cell_angle_gamma 64.25843622 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn2Br _chemical_formula_sum 'Ti1 Mn2 Br1' _cell_volume 62.20874137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.90435357 0.00000000 2.14420478 1 Mn Mn1 1 0.00000000 -0.00000000 4.28840955 1 Mn Mn2 1 0.00000000 1.90435357 2.14420478 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrMn2Ti
I-4m2
119
tetragonal
-42m
6,343.518102
false
[CIF] data_HfZrTaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72417278 _cell_length_b 4.72417278 _cell_length_c 4.72417278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTaRe _chemical_formula_sum 'Hf1 Zr1 Ta1 Re1' _cell_volume 74.55251893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.01074192 5.01074192 5.01074192 1 Re Re1 1 3.34049461 3.34049461 3.34049461 1 Ta Ta2 1 1.67024731 1.67024731 1.67024731 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfReTaZr
F-43m
216
cubic
-43m
14,185.243781
false
[CIF] data_GaFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49036947 _cell_length_b 4.49036947 _cell_length_c 4.49036947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeAs2 _chemical_formula_sum 'Ga1 Fe1 As2' _cell_volume 64.02229388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.58758535 1.58758535 1.58758535 1 As As1 1 4.76275605 4.76275605 4.76275605 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 3.17517070 3.17517070 3.17517070 1 [/CIF]
As2FeGa
Fm-3m
225
cubic
m-3m
7,143.309451
false
[CIF] data_NaLi3(H2N)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87598843 _cell_length_b 6.87598843 _cell_length_c 6.87598843 _cell_angle_alpha 136.31203490 _cell_angle_beta 136.31203490 _cell_angle_gamma 63.49829158 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi3(H2N)4 _chemical_formula_sum 'Na1 Li3 H8 N4' _cell_volume 153.08830331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 2.55842100 -0.00000000 2.92353300 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 2.55842100 -0.00000000 0.11905796 1 Li Li3 1 2.55842100 -0.00000000 5.72800804 1 H H4 1 0.85850631 -0.44547482 7.11086839 1 H H5 1 2.11294618 1.69991469 -1.26380239 1 H H6 1 0.44547482 0.85850631 4.58326361 1 H H7 1 1.69991469 3.00389582 1.26380239 1 H H8 1 -0.55239124 1.24097490 1.96401193 1 H H9 1 -1.31744610 3.11081224 3.88305407 1 H H10 1 1.31744610 2.00602976 3.88305407 1 H H11 1 0.55239124 3.87586710 1.96401193 1 N N12 1 1.35204107 -1.34250328 7.01681248 1 N N13 1 1.21591772 1.20637993 -1.16974648 1 N N14 1 1.34250328 1.35204107 4.67731952 1 N N15 1 1.20637993 3.90092428 1.16974648 1 [/CIF]
H8Li3N4Na
I-4
82
tetragonal
-4
1,170.417931
false
[CIF] data_LiPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39842149 _cell_length_b 4.39842149 _cell_length_c 4.39842149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPt3 _chemical_formula_sum 'Li1 Pt3' _cell_volume 60.16937973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 4.66523049 4.66523049 4.66523049 1 Pt Pt2 1 3.11015366 3.11015366 3.11015366 1 Pt Pt3 1 1.55507683 1.55507683 1.55507683 1 [/CIF]
LiPt3
Fm-3m
225
cubic
m-3m
16,343.190106
false
[CIF] data_Re2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12155364 _cell_length_b 5.12155364 _cell_length_c 8.20851782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Os _chemical_formula_sum 'Re8 Os4' _cell_volume 186.46564521 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 2.95693037 0.63209018 1 Os Os1 1 -0.00000000 2.95693037 3.47216873 1 Os Os2 1 2.56077682 1.47846519 4.73634909 1 Os Os3 1 2.56077682 1.47846519 7.57642764 1 Re Re4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 0.00000000 0.00000000 4.10425891 1 Re Re6 1 0.00000000 1.54290011 6.15638837 1 Re Re7 1 -1.22458613 3.66394550 6.15638837 1 Re Re8 1 1.33619069 0.77145006 2.05212946 1 Re Re9 1 1.22458613 3.66394550 6.15638837 1 Re Re10 1 3.78536295 0.77145006 2.05212946 1 Re Re11 1 2.56077682 2.89249544 2.05212946 1 [/CIF]
Os4Re8
P6_3/mmc
194
hexagonal
6/mmm
20,042.133168
false
[CIF] data_LaCrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86513815 _cell_length_b 4.86513815 _cell_length_c 4.86513815 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrPd2 _chemical_formula_sum 'La1 Cr1 Pd2' _cell_volume 81.42739367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.44017218 3.44017218 3.44017218 1 Pd Pd2 1 1.72008609 1.72008609 1.72008609 1 Pd Pd3 1 5.16025827 5.16025827 5.16025827 1 [/CIF]
CrLaPd2
Fm-3m
225
cubic
m-3m
8,233.453382
false
[CIF] data_LaMnTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05314027 _cell_length_b 6.05314027 _cell_length_c 6.05314027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnTe3 _chemical_formula_sum 'La1 Mn1 Te3' _cell_volume 221.79012921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 3.02657014 0.00000000 3.02657014 1 Te Te1 1 3.02657014 3.02657014 0.00000000 1 Te Te2 1 0.00000000 3.02657014 3.02657014 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 3.02657014 3.02657014 3.02657014 1 [/CIF]
LaMnTe3
Pm-3m
221
cubic
m-3m
4,317.320557
false
[CIF] data_Mg2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42366989 _cell_length_b 5.42366989 _cell_length_c 5.42366989 _cell_angle_alpha 144.96616915 _cell_angle_beta 129.07561129 _cell_angle_gamma 63.31028379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ReRu _chemical_formula_sum 'Mg2 Re1 Ru1' _cell_volume 70.29331134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 2.33171947 4.61006696 1 Mg Mg1 1 -0.00000000 -0.00000000 2.31361869 1 Re Re2 1 0.00000000 2.33171947 0.01586232 1 Ru Ru3 1 0.00000000 -0.00000000 6.91069753 1 [/CIF]
Mg2ReRu
Imm2
44
orthorhombic
mm2
7,934.659427
false
[CIF] data_La2SnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12232503 _cell_length_b 5.12232503 _cell_length_c 5.12232503 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SnOs _chemical_formula_sum 'La2 Sn1 Os1' _cell_volume 95.03561741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.43304615 5.43304615 5.43304615 1 La La1 1 3.62203077 3.62203077 3.62203077 1 Os Os2 1 1.81101538 1.81101538 1.81101538 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2OsSn
F-43m
216
cubic
-43m
10,252.240866
false
[CIF] data_YMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24756432 _cell_length_b 3.24756432 _cell_length_c 8.20233097 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMo2Cl _chemical_formula_sum 'Y1 Mo2 Cl1' _cell_volume 86.50731088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 5.82142223 1 Mo Mo1 1 1.62378216 1.62378216 0.64065676 1 Mo Mo2 1 0.00000000 0.00000000 1.86007483 1 Y Y3 1 1.62378216 1.62378216 3.98134264 1 [/CIF]
ClMo2Y
P4mm
99
tetragonal
4mm
6,071.086721
false
[CIF] data_TiAlOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42010104 _cell_length_b 4.42010104 _cell_length_c 4.42010104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlOsPt _chemical_formula_sum 'Ti1 Al1 Os1 Pt1' _cell_volume 61.06348602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.68822513 4.68822513 4.68822513 1 Pt Pt2 1 3.12548342 3.12548342 3.12548342 1 Ti Ti3 1 1.56274171 1.56274171 1.56274171 1 [/CIF]
AlOsPtTi
F-43m
216
cubic
-43m
12,513.499017
false
[CIF] data_Mn2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06800336 _cell_length_b 3.06800336 _cell_length_c 6.61649941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AsPb _chemical_formula_sum 'Mn2 As1 Pb1' _cell_volume 62.27875755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.53400168 1.53400168 1.25861348 1 Mn Mn2 1 1.53400168 1.53400168 5.35788593 1 Pb Pb3 1 0.00000000 0.00000000 3.30824971 1 [/CIF]
AsMn2Pb
P4/mmm
123
tetragonal
4/mmm
10,451.837895
false
[CIF] data_LiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62688587 _cell_length_b 5.62688587 _cell_length_c 4.07669778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.79343734 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSb _chemical_formula_sum 'Li2 Sb2' _cell_volume 93.17199074 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 2.20793259 -1.08107046 1.01917444 1 Li Li1 1 2.20793259 1.08107046 3.05752333 1 Sb Sb2 1 2.20793259 -4.09345612 1.01917444 1 Sb Sb3 1 2.20793259 4.09345612 3.05752333 1 [/CIF]
Li2Sb2
Cmcm
63
orthorhombic
mmm
4,587.495377
false
[CIF] data_TbCeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93384322 _cell_length_b 4.93384322 _cell_length_c 4.93384322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCeOs2 _chemical_formula_sum 'Tb1 Ce1 Os2' _cell_volume 84.92607208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 -0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.74437700 1.74437700 1.74437700 1 Os Os2 1 5.23313100 5.23313100 5.23313100 1 Tb Tb3 1 3.48875400 3.48875400 3.48875400 1 [/CIF]
CeOs2Tb
Fm-3m
225
cubic
m-3m
13,286.126508
false
[CIF] data_KCa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64308844 _cell_length_b 6.64308844 _cell_length_c 3.84606675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2 _chemical_formula_sum 'K1 Ca2' _cell_volume 146.98990788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 3.83538890 1.70647620 1 Ca Ca1 1 3.32154422 1.91769445 2.13959055 1 K K2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2K
P-3m1
164
trigonal
-3m
1,347.211022
false
[CIF] data_CaYZrZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24794379 _cell_length_b 5.24794379 _cell_length_c 5.24794379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYZrZn _chemical_formula_sum 'Ca1 Y1 Zr1 Zn1' _cell_volume 102.20038361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 5.56628496 5.56628496 5.56628496 1 Zn Zn2 1 1.85542832 1.85542832 1.85542832 1 Zr Zr3 1 3.71085664 3.71085664 3.71085664 1 [/CIF]
CaYZnZr
F-43m
216
cubic
-43m
4,640.195713
false
[CIF] data_KHf2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62899705 _cell_length_b 5.62899705 _cell_length_c 5.62899705 _cell_angle_alpha 130.33055657 _cell_angle_beta 130.33055657 _cell_angle_gamma 72.87886603 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHf2Cd _chemical_formula_sum 'K1 Hf2 Cd1' _cell_volume 101.24511753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.36419073 -0.00000000 2.26422240 1 Hf Hf1 1 -0.00000000 0.00000000 4.52844479 1 Hf Hf2 1 0.00000000 2.36419073 2.26422240 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHf2K
I-4m2
119
tetragonal
-42m
8,339.822879
false
[CIF] data_Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94662832 _cell_length_b 2.94662832 _cell_length_c 4.66004160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti _chemical_formula_sum Ti2 _cell_volume 35.04056840 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 1.70123665 1.16501040 1 Ti Ti1 1 1.47331416 0.85061833 3.49503120 1 [/CIF]
Ti2
P6_3/mmc
194
hexagonal
6/mmm
4,536.742818
false
[CIF] data_InTcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01015878 _cell_length_b 5.01015878 _cell_length_c 5.01015878 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcTe2 _chemical_formula_sum 'In1 Tc1 Te2' _cell_volume 88.92819381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.54271725 3.54271725 3.54271725 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.31407588 5.31407588 5.31407588 1 Te Te3 1 1.77135862 1.77135862 1.77135862 1 [/CIF]
InTcTe2
Fm-3m
225
cubic
m-3m
8,756.131437
false
[CIF] data_KMg2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17988545 _cell_length_b 5.17988545 _cell_length_c 5.17988545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2Ge _chemical_formula_sum 'K1 Mg2 Ge1' _cell_volume 98.27554709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.66273213 3.66273213 3.66273213 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Mg Mg2 1 1.83136607 1.83136607 1.83136607 1 Mg Mg3 1 5.49409820 5.49409820 5.49409820 1 [/CIF]
GeKMg2
Fm-3m
225
cubic
m-3m
2,709.367939
false
[CIF] data_Ti31N29O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47000000 _cell_length_b 8.47000000 _cell_length_c 8.47000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti31N29O3 _chemical_formula_sum 'Ti31 N29 O3' _cell_volume 607.64542300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 2.12747038 2.11579126 2.12257429 1 N N1 1 2.13785045 2.10770834 6.35336538 1 N N2 1 2.11021927 6.35051760 2.14987742 1 N N3 1 2.11950603 6.36122867 6.32925095 1 N N4 1 6.34382299 2.12601735 2.13574980 1 N N5 1 6.33508416 2.11985102 6.33623413 1 N N6 1 6.35497925 6.34134425 2.11927311 1 N N7 1 6.34388914 6.35596575 6.35287607 1 N N8 1 2.11967340 0.01717470 8.46555054 1 N N9 1 2.13468987 8.46950146 4.24350896 1 N N10 1 2.11167544 4.20422341 0.00393821 1 N N11 1 2.12005540 4.23487312 4.23456134 1 N N12 1 6.34420601 8.46081124 8.45928808 1 N N13 1 6.34082131 8.46902671 4.24314619 1 N N14 1 6.35567845 4.24084498 0.00207159 1 N N15 1 0.00733299 2.11876737 0.00114362 1 N N16 1 0.00049194 2.11930580 4.23498730 1 N N17 1 8.44029232 6.34937694 0.00442447 1 N N18 1 8.46668264 6.34280168 4.23347980 1 N N19 1 4.22823611 2.11701467 8.46398926 1 N N20 1 4.25675731 6.36042631 8.46436152 1 N N21 1 4.23096565 6.35466883 4.23570132 1 N N22 1 0.00424483 8.46485126 2.11192649 1 N N23 1 0.01362899 8.46328575 6.36114262 1 N N24 1 8.46420186 4.23827289 2.12041512 1 N N25 1 8.46420000 4.23944929 6.34914080 1 N N26 1 4.22773308 8.46864582 2.10929960 1 N N27 1 4.23894846 4.23070749 2.12978929 1 N N28 1 4.23730215 4.24310596 6.34684475 1 O O29 1 6.33084213 4.21865002 4.23650876 1 O O30 1 4.25011709 2.11925854 4.25335974 1 O O31 1 4.23441540 0.02078682 6.33433761 1 Ti Ti32 1 0.05713633 8.40893393 0.01502815 1 Ti Ti33 1 0.01537932 8.45030920 4.21747845 1 Ti Ti34 1 0.06388082 4.30000657 0.00764841 1 Ti Ti35 1 0.10292668 4.25651312 4.22822561 1 Ti Ti36 1 4.17500453 8.41257433 0.07922575 1 Ti Ti37 1 4.21482260 8.37343836 4.12866957 1 Ti Ti38 1 4.17145154 4.29301298 0.00654206 1 Ti Ti39 1 4.12693635 4.33581130 4.22439946 1 Ti Ti40 1 0.00665251 2.13168581 2.09972630 1 Ti Ti41 1 0.00735687 2.13670852 6.37236715 1 Ti Ti42 1 0.04881134 6.33680340 2.06216964 1 Ti Ti43 1 0.04237516 6.33600688 6.40508828 1 Ti Ti44 1 4.22698696 2.13238399 2.01063037 1 Ti Ti45 1 4.22914918 2.22774721 6.45838762 1 Ti Ti46 1 4.18623609 6.34215694 2.07179834 1 Ti Ti47 1 4.18935839 6.27112253 6.39967214 1 Ti Ti48 1 2.10956768 8.41891574 2.06417322 1 Ti Ti49 1 2.03279034 8.42031608 6.40835135 1 Ti Ti50 1 2.11115639 4.28618463 2.06413968 1 Ti Ti51 1 2.11102291 4.28240295 6.40469002 1 Ti Ti52 1 6.36108223 8.46169627 2.10266954 1 Ti Ti53 1 6.46553647 8.46428792 6.36797452 1 Ti Ti54 1 6.35818447 4.24187459 2.00551051 1 Ti Ti55 1 6.36027063 4.24297959 6.46560050 1 Ti Ti56 1 2.11468330 2.10426427 8.45984210 1 Ti Ti57 1 2.02348181 2.09507762 4.24562257 1 Ti Ti58 1 2.12155290 6.37031300 4.24356707 1 Ti Ti59 1 6.35842383 2.08736679 8.46965764 1 Ti Ti60 1 6.45819213 2.01322414 4.23680360 1 Ti Ti61 1 6.34500557 6.38465898 8.45544964 1 Ti Ti62 1 6.35107035 6.44446701 4.24677262 1 [/CIF]
N29O3Ti31
P1
1
triclinic
1
5,296.246786
true
[CIF] data_YFeCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60463324 _cell_length_b 4.60463324 _cell_length_c 4.60463324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCoAg _chemical_formula_sum 'Y1 Fe1 Co1 Ag1' _cell_volume 69.03512816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.25596739 3.25596739 3.25596739 1 Co Co1 1 4.88395108 4.88395109 4.88395109 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.62798369 1.62798369 1.62798369 1 [/CIF]
AgCoFeY
F-43m
216
cubic
-43m
7,493.933711
false
[CIF] data_Na2CdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02033373 _cell_length_b 4.68162299 _cell_length_c 5.76012312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdPt _chemical_formula_sum 'Na2 Cd1 Pt1' _cell_volume 81.44850857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.51016686 2.34081150 1.56820654 1 Na Na2 1 1.51016686 2.34081150 4.19191658 1 Pt Pt3 1 0.00000000 0.00000000 2.88006156 1 [/CIF]
CdNa2Pt
Pmmm
47
orthorhombic
mmm
7,206.495129
false
[CIF] data_HfCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63676702 _cell_length_b 4.63676702 _cell_length_c 4.63676702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCr2Ag _chemical_formula_sum 'Hf1 Cr2 Ag1' _cell_volume 70.49053805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.27868940 3.27868940 3.27868940 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 4.91803410 4.91803410 4.91803410 1 Hf Hf3 1 1.63934470 1.63934470 1.63934470 1 [/CIF]
AgCr2Hf
F-43m
216
cubic
-43m
9,195.448167
false
[CIF] data_NaZnH2C3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95535342 _cell_length_b 15.50605347 _cell_length_c 7.04224994 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.25169338 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnH2C3O7 _chemical_formula_sum 'Na4 Zn4 H8 C12 O28' _cell_volume 639.92782030 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 2.27736883 2.83697096 4.77991270 1 Na Na1 1 1.79799299 10.58999770 5.61482256 1 Na Na2 1 2.42465686 12.66908251 2.14991080 1 Na Na3 1 2.90403270 4.91605577 1.31500095 1 Zn Zn4 1 3.96542329 1.53642517 2.01635517 1 Zn Zn5 1 1.36326627 9.28945191 1.44855659 1 Zn Zn6 1 0.73660240 13.96962830 4.91346834 1 Zn Zn7 1 3.33875942 6.21660156 5.48126692 1 H H8 1 4.15077959 0.39099206 4.41702798 1 H H9 1 -0.07541776 8.14401880 5.97770728 1 H H10 1 0.55124610 15.11506141 2.51279553 1 H H11 1 4.77744345 7.36203467 0.95211622 1 H H12 1 4.86284936 1.86412403 4.45759063 1 H H13 1 -0.78748754 9.61715077 5.93714463 1 H H14 1 -0.16082367 13.64192944 2.47223288 1 H H15 1 5.48951323 5.88890270 0.99267888 1 C C16 1 0.83849787 2.33026451 1.98854923 1 C C17 1 4.49019169 10.08329125 1.47636252 1 C C18 1 3.86352782 13.17578896 4.94127428 1 C C19 1 0.21183400 5.42276222 5.45346098 1 C C20 1 -0.02154119 3.60208079 1.72606849 1 C C21 1 5.35023075 11.35510752 1.73884326 1 C C22 1 4.72356688 11.90397268 5.20375502 1 C C23 1 -0.64820506 4.15094595 5.19098024 1 C C24 1 2.91988262 14.92474449 0.50304817 1 C C25 1 2.40880693 7.17171775 2.96186358 1 C C26 1 1.78214307 0.58130898 6.42677533 1 C C27 1 2.29321876 8.33433572 3.96795992 1 O O28 1 3.35205480 15.11136189 1.68234233 1 O O29 1 1.97663476 7.35833515 1.78256942 1 O O30 1 1.34997089 0.39469158 5.24748118 1 O O31 1 2.72539093 8.14771832 5.14725408 1 O O32 1 2.39459570 13.85209431 0.08787138 1 O O33 1 2.93409386 6.09906757 3.37704037 1 O O34 1 2.30742999 1.65395917 6.84195212 1 O O35 1 1.76793183 9.40698590 3.55278314 1 O O36 1 4.09911011 1.32493653 4.07643214 1 O O37 1 -0.02374828 9.07796327 6.31830312 1 O O38 1 0.60291558 14.18111694 2.85339137 1 O O39 1 4.72577397 6.42809020 0.61152038 1 O O40 1 0.57195431 4.66917601 1.42003002 1 O O41 1 4.75673525 12.42220274 2.04488173 1 O O42 1 4.13007138 10.83687746 5.50979348 1 O O43 1 -0.05470956 3.08385073 4.88494178 1 O O44 1 2.05510121 2.53402458 2.27926267 1 O O45 1 3.27358835 10.28705131 1.18564908 1 O O46 1 2.64692448 12.97202890 4.65056083 1 O O47 1 1.42843734 5.21900216 5.74417443 1 O O48 1 0.23858531 1.21557213 1.90152327 1 O O49 1 5.09010424 8.96859887 1.56338848 1 O O50 1 4.46344038 14.29048134 5.02830023 1 O O51 1 -0.38807855 6.53745460 5.36643503 1 O O52 1 4.67228188 3.46875770 1.84108401 1 O O53 1 0.65640768 11.22178443 1.62382775 1 O O54 1 0.02974381 12.03729578 5.08873950 1 O O55 1 4.04561801 4.28426904 5.30599576 1 [/CIF]
C12H8Na4O28Zn4
P2_1/c
14
monoclinic
2/m
2,474.622929
true
[CIF] data_Ta2CoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74539699 _cell_length_b 4.74539699 _cell_length_c 9.14377380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CoO6 _chemical_formula_sum 'Ta4 Co2 O12' _cell_volume 205.90674572 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 2.37269849 2.37269849 4.57188690 1 O O2 1 1.46589000 1.46589000 0.00000000 1 O O3 1 3.27950699 3.27950699 0.00000000 1 O O4 1 3.77680101 0.96859598 1.60041169 1 O O5 1 0.96859598 3.77680101 1.60041169 1 O O6 1 1.40410251 1.40410251 2.97147521 1 O O7 1 3.34129448 3.34129448 2.97147521 1 O O8 1 3.83858850 0.90680849 4.57188690 1 O O9 1 0.90680849 3.83858850 4.57188690 1 O O10 1 1.40410251 1.40410251 6.17229859 1 O O11 1 3.34129448 3.34129448 6.17229859 1 O O12 1 3.77680101 0.96859598 7.54336211 1 O O13 1 0.96859598 3.77680101 7.54336211 1 Ta Ta14 1 2.37269849 2.37269849 1.54462945 1 Ta Ta15 1 0.00000000 0.00000000 3.02725745 1 Ta Ta16 1 0.00000000 0.00000000 6.11651635 1 Ta Ta17 1 2.37269849 2.37269849 7.59914435 1 [/CIF]
Co2O12Ta4
P4_2/mnm
136
tetragonal
4/mmm
8,335.896812
false
[CIF] data_HfTaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44701181 _cell_length_b 3.44701181 _cell_length_c 7.07302736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaSb2 _chemical_formula_sum 'Hf1 Ta1 Sb2' _cell_volume 84.04093602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.72350590 1.72350590 1.86312495 1 Sb Sb2 1 1.72350590 1.72350590 5.20990241 1 Ta Ta3 1 0.00000000 0.00000000 3.53651368 1 [/CIF]
HfSb2Ta
P4/mmm
123
tetragonal
4/mmm
11,913.659732
false
[CIF] data_Al2MoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07228628 _cell_length_b 5.07228628 _cell_length_c 5.07228628 _cell_angle_alpha 131.92091551 _cell_angle_beta 131.92091551 _cell_angle_gamma 70.35396095 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2MoBr _chemical_formula_sum 'Al2 Mo1 Br1' _cell_volume 70.80519244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 2.06628216 -0.00000000 2.07298361 1 Br Br2 1 0.00000000 0.00000000 4.14596722 1 Mo Mo3 1 -0.00000000 2.06628216 2.07298361 1 [/CIF]
Al2BrMo
I-4m2
119
tetragonal
-42m
5,389.955554
false
[CIF] data_KZrTlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19534088 _cell_length_b 5.19534088 _cell_length_c 5.19534088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrTlAg _chemical_formula_sum 'K1 Zr1 Tl1 Ag1' _cell_volume 99.15786046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.83683038 1.83683039 1.83683039 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.67366077 3.67366077 3.67366077 1 Zr Zr3 1 5.51049116 5.51049116 5.51049116 1 [/CIF]
AgKTlZr
F-43m
216
cubic
-43m
7,411.52624
false
[CIF] data_Ta2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92571627 _cell_length_b 2.92571627 _cell_length_c 7.67009076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnIr _chemical_formula_sum 'Ta2 Zn1 Ir1' _cell_volume 65.65456325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.46285814 1.46285814 5.69128029 1 Ta Ta1 1 0.00000000 0.00000000 7.44990838 1 Ta Ta2 1 1.46285814 1.46285814 2.03601577 1 Zn Zn3 1 0.00000000 0.00000000 3.99802238 1 [/CIF]
IrTa2Zn
P4mm
99
tetragonal
4mm
15,668.24724
false
[CIF] data_CaCu2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20786640 _cell_length_b 4.35025457 _cell_length_c 4.65418944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu2Re _chemical_formula_sum 'Ca1 Cu2 Re1' _cell_volume 64.94937870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 2.17512728 2.32709472 1 Cu Cu2 1 1.60393320 2.17512728 0.00000000 1 Re Re3 1 1.60393320 0.00000000 2.32709472 1 [/CIF]
CaCu2Re
Pmmm
47
orthorhombic
mmm
9,034.671701
false
[CIF] data_LiBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70972052 _cell_length_b 7.70972052 _cell_length_c 7.70972052 _cell_angle_alpha 152.58854608 _cell_angle_beta 150.04609029 _cell_angle_gamma 41.04878437 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBi2Se _chemical_formula_sum 'Li1 Bi2 Se1' _cell_volume 105.11575912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.82670460 -0.00000000 4.59480372 1 Bi Bi1 1 -0.00000000 1.99242705 2.62552697 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 -0.00000000 0.00000000 7.22033069 1 [/CIF]
Bi2LiSe
Immm
71
orthorhombic
mmm
7,959.790462
false
[CIF] data_SnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60483994 _cell_length_b 3.60483994 _cell_length_c 3.60483994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnC _chemical_formula_sum 'Sn1 C1' _cell_volume 33.12401422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.27450339 1.27450339 1.27450339 1 [/CIF]
CSn
F-43m
216
cubic
-43m
6,553.155898
false
[CIF] data_TcRh2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38321805 _cell_length_b 4.38321805 _cell_length_c 4.38321805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRh2Se _chemical_formula_sum 'Tc1 Rh2 Se1' _cell_volume 59.54759571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 3.09940321 3.09940321 3.09940321 1 Rh Rh1 1 1.54970161 1.54970161 1.54970161 1 Se Se2 1 0.00000000 -0.00000000 0.00000000 1 Tc Tc3 1 4.64910482 4.64910482 4.64910482 1 [/CIF]
Rh2SeTc
F-43m
216
cubic
-43m
10,699.188975
false
[CIF] data_TlTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04296351 _cell_length_b 7.04296351 _cell_length_c 7.04296351 _cell_angle_alpha 152.87156167 _cell_angle_beta 152.87156167 _cell_angle_gamma 38.74188039 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcBi _chemical_formula_sum 'Tl1 Tc1 Bi1' _cell_volume 72.51597226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 0.00000000 0.47363202 1 Tc Tc1 1 0.00000000 0.00000000 8.82001545 1 Tl Tl2 1 -0.00000000 0.00000000 3.99488952 1 [/CIF]
BiTcTl
I4mm
107
tetragonal
4mm
11,730.438897
false
[CIF] data_BaNaLa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75495840 _cell_length_b 6.13738884 _cell_length_c 7.20162804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaLa2 _chemical_formula_sum 'Ba1 Na1 La2' _cell_volume 165.96612563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.60081402 1 La La1 1 1.87747920 3.06869442 5.48876272 1 La La2 1 1.87747920 3.06869442 1.71286532 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLa2Na
Pmmm
47
orthorhombic
mmm
4,383.594391
false
[CIF] data_K2LiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43270282 _cell_length_b 9.43270282 _cell_length_c 9.43270282 _cell_angle_alpha 28.94587256 _cell_angle_beta 28.94587256 _cell_angle_gamma 28.94587256 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiTe _chemical_formula_sum 'K2 Li1 Te1' _cell_volume 173.87146558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.87049536 1 K K1 1 0.00000000 0.00000000 5.93207806 1 Li Li2 1 -0.00000000 0.00000000 12.40041901 1 Te Te3 1 -0.00000000 0.00000000 21.43821437 1 [/CIF]
K2LiTe
R3m
160
trigonal
3m
2,031.725531
false
[CIF] data_SrCaNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41020265 _cell_length_b 5.41020265 _cell_length_c 5.41020265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaNbZn _chemical_formula_sum 'Sr1 Ca1 Nb1 Zn1' _cell_volume 111.97616771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 5.73838647 5.73838647 5.73838647 1 Sr Sr2 1 3.82559098 3.82559098 3.82559098 1 Zn Zn3 1 1.91279549 1.91279549 1.91279549 1 [/CIF]
CaNbSrZn
F-43m
216
cubic
-43m
4,240.975961
false
[CIF] data_CaMgAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67990913 _cell_length_b 5.67990913 _cell_length_c 5.45376385 _cell_angle_alpha 105.37485546 _cell_angle_beta 105.37485546 _cell_angle_gamma 32.79051708 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgAl2 _chemical_formula_sum 'Ca1 Mg1 Al2' _cell_volume 91.57552461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -1.18016734 -0.00000000 5.12294616 1 Al Al1 1 7.48168141 0.00000000 1.35230479 1 Ca Ca2 1 4.55037357 0.00000000 2.41308087 1 Mg Mg3 1 1.72680409 0.00000000 4.21503156 1 [/CIF]
Al2CaMg
Cm
8
monoclinic
m
2,145.96952
false
[CIF] data_HfCrGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37854231 _cell_length_b 4.37854231 _cell_length_c 4.37854231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrGaCo _chemical_formula_sum 'Hf1 Cr1 Ga1 Co1' _cell_volume 59.35723394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.09609696 3.09609696 3.09609696 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 4.64414544 4.64414544 4.64414544 1 Hf Hf3 1 1.54804848 1.54804848 1.54804848 1 [/CIF]
CoCrGaHf
F-43m
216
cubic
-43m
10,047.129418
false
[CIF] data_KCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58871078 _cell_length_b 3.58871078 _cell_length_c 7.55381054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.65301217 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Sb _chemical_formula_sum 'K1 Cu2 Sb1' _cell_volume 97.18008349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.47817662 0.00000000 5.00835874 1 Cu Cu1 1 2.47817662 0.00000000 2.54545180 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.77690527 1 [/CIF]
Cu2KSb
Cmmm
65
orthorhombic
mmm
4,920.274867
false