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_ZnBi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42382994 _cell_length_b 3.42382994 _cell_length_c 8.07193115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBi2Pt _chemical_formula_sum 'Zn1 Bi2 Pt1' _cell_volume 94.62411231 _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 1.71191497 1.71191497 7.51631971 1 Bi Bi1 1 0.00000000 0.00000000 2.63470666 1 Pt Pt2 1 1.71191497 1.71191497 4.46161610 1 Zn Zn3 1 0.00000000 0.00000000 5.56718541 1 [/CIF]
Bi2PtZn
P4mm
99
tetragonal
4mm
11,906.03665
false
[CIF] data_Ba2ZrBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72299242 _cell_length_b 3.72299242 _cell_length_c 9.37246766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZrBe _chemical_formula_sum 'Ba2 Zr1 Be1' _cell_volume 129.90870531 _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 1.86149621 1.86149621 7.34936737 1 Ba Ba1 1 1.86149621 1.86149621 2.02310029 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 4.68623383 1 [/CIF]
Ba2BeZr
P4/mmm
123
tetragonal
4/mmm
4,791.97904
false
[CIF] data_Sr(Li2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14253790 _cell_length_b 8.14253790 _cell_length_c 8.14253790 _cell_angle_alpha 30.25735897 _cell_angle_beta 30.25735897 _cell_angle_gamma 30.25735897 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(Li2P)2 _chemical_formula_sum 'Sr1 Li4 P2' _cell_volume 121.46056075 _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 13.29321265 1 Li Li1 1 0.00000000 -0.00000000 20.08441211 1 Li Li2 1 -0.00000000 0.00000000 3.20755171 1 Li Li3 1 0.00000000 -0.00000000 9.99875117 1 P P4 1 0.00000000 0.00000000 5.73463708 1 P P5 1 -0.00000000 -0.00000000 17.55732674 1 Sr Sr6 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li4P2Sr
R-3m
166
trigonal
-3m
2,424.374734
false
[CIF] data_SrTlCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25152905 _cell_length_b 5.25152905 _cell_length_c 5.25152905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlCdRe _chemical_formula_sum 'Sr1 Tl1 Cd1 Re1' _cell_volume 102.40998861 _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 3.71339180 3.71339180 3.71339180 1 Re Re1 1 1.85669590 1.85669590 1.85669590 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.57008770 5.57008770 5.57008770 1 [/CIF]
CdReSrTl
F-43m
216
cubic
-43m
9,576.700042
false
[CIF] data_LiCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48021005 _cell_length_b 4.48021005 _cell_length_c 4.48021005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdMo _chemical_formula_sum 'Li1 Cd1 Mo1' _cell_volume 63.58872702 _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 3.16798691 3.16798691 3.16798691 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.75198037 4.75198037 4.75198037 1 [/CIF]
CdLiMo
F-43m
216
cubic
-43m
5,622.600172
false
[CIF] data_Ca2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62551181 _cell_length_b 6.62551181 _cell_length_c 7.84631663 _cell_angle_alpha 117.51047252 _cell_angle_beta 117.51047252 _cell_angle_gamma 37.44999312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2As _chemical_formula_sum 'Ca4 As2' _cell_volume 182.83951106 _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 As As0 1 7.33734614 0.00000000 5.57279159 1 As As1 1 1.38545300 0.00000000 1.27701781 1 Ca Ca2 1 4.80879910 0.00000000 0.83351758 1 Ca Ca3 1 -0.07207797 -0.00000000 3.91373172 1 Ca Ca4 1 8.79487712 0.00000000 2.93607768 1 Ca Ca5 1 3.91400004 -0.00000000 6.01629182 1 [/CIF]
As2Ca4
C2/m
12
monoclinic
2/m
2,816.813627
false
[CIF] data_CaFeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41175756 _cell_length_b 4.41175756 _cell_length_c 3.99583142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeAg2 _chemical_formula_sum 'Ca1 Fe1 Ag2' _cell_volume 77.77328348 _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 2.20587878 0.00000000 1.99791571 1 Ag Ag1 1 0.00000000 2.20587878 1.99791571 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 2.20587878 2.20587878 0.00000000 1 [/CIF]
Ag2CaFe
P4/mmm
123
tetragonal
4/mmm
6,654.246626
false
[CIF] data_HfTaRuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36526181 _cell_length_b 4.36526181 _cell_length_c 4.36526181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaRuC _chemical_formula_sum 'Hf1 Ta1 Ru1 C1' _cell_volume 58.81876360 _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 Hf Hf1 1 4.63005934 4.63005934 4.63005934 1 Ta Ta2 1 3.08670623 3.08670623 3.08670623 1 Ru Ru3 1 1.54335311 1.54335311 1.54335311 1 [/CIF]
CHfRuTa
F-43m
216
cubic
-43m
13,339.885333
false
[CIF] data_MnBiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08035109 _cell_length_b 6.08035109 _cell_length_c 6.08035109 _cell_angle_alpha 148.97933483 _cell_angle_beta 148.97933483 _cell_angle_gamma 44.44172512 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBiP _chemical_formula_sum 'Mn1 Bi1 P1' _cell_volume 59.52425296 _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 11.16249656 1 Mn Mn1 1 0.00000000 -0.00000000 3.24283019 1 P P2 1 0.00000000 0.00000000 8.10979850 1 [/CIF]
BiMnP
I4mm
107
tetragonal
4mm
8,226.623201
false
[CIF] data_ZrGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32463123 _cell_length_b 3.32463123 _cell_length_c 5.92533269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaTc2 _chemical_formula_sum 'Zr1 Ga1 Tc2' _cell_volume 65.49372621 _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 Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.66231562 1.66231562 1.31262829 1 Tc Tc2 1 1.66231562 1.66231562 4.61270440 1 Zr Zr3 1 0.00000000 0.00000000 2.96266635 1 [/CIF]
GaTc2Zr
P4/mmm
123
tetragonal
4/mmm
9,096.046807
false
[CIF] data_Li2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32149272 _cell_length_b 4.32149272 _cell_length_c 4.32149272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PdRu _chemical_formula_sum 'Li2 Pd1 Ru1' _cell_volume 57.06717321 _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 4.58363522 4.58363522 4.58363522 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.52787841 1.52787841 1.52787841 1 Ru Ru3 1 3.05575681 3.05575681 3.05575681 1 [/CIF]
Li2PdRu
F-43m
216
cubic
-43m
6,441.476484
false
[CIF] data_Li2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43051897 _cell_length_b 5.43051897 _cell_length_c 5.43051897 _cell_angle_alpha 149.52163565 _cell_angle_beta 128.91959574 _cell_angle_gamma 60.65613594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlRe _chemical_formula_sum 'Li2 Tl1 Re1' _cell_volume 62.66116600 _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 9.28492614 1 Li Li1 1 -0.00000000 2.34133729 2.48510550 1 Re Re2 1 -0.00000000 0.00000000 4.78956980 1 Tl Tl3 1 1.42740676 -0.00000000 2.18977120 1 [/CIF]
Li2ReTl
Imm2
44
orthorhombic
mm2
10,718.633221
false
[CIF] data_TeW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87460050 _cell_length_b 2.87460050 _cell_length_c 9.52528476 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.52859093 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeW3 _chemical_formula_sum 'Te1 W3' _cell_volume 73.21927686 _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 0.00000000 0.00000000 0.00000000 1 W W1 1 1.61724643 0.00000000 6.90437742 1 W W2 1 0.00000000 0.00000000 4.76264238 1 W W3 1 1.61724643 0.00000000 2.62090734 1 [/CIF]
TeW3
Cmmm
65
orthorhombic
mmm
15,401.754009
false
[CIF] data_CoAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88244196 _cell_length_b 4.88244196 _cell_length_c 4.88244196 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgTe2 _chemical_formula_sum 'Co1 Ag1 Te2' _cell_volume 82.29932450 _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 3.45240782 3.45240782 3.45240782 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.17861173 5.17861173 5.17861173 1 Te Te3 1 1.72620391 1.72620391 1.72620391 1 [/CIF]
AgCoTe2
Fm-3m
225
cubic
m-3m
8,514.648289
false
[CIF] data_Y2GePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02510723 _cell_length_b 5.02510723 _cell_length_c 5.02510723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2GePd _chemical_formula_sum 'Y2 Ge1 Pd1' _cell_volume 89.72655682 _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 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.55328740 3.55328740 3.55328740 1 Y Y2 1 5.32993110 5.32993110 5.32993110 1 Y Y3 1 1.77664370 1.77664370 1.77664370 1 [/CIF]
GePdY2
Fm-3m
225
cubic
m-3m
6,604.514999
false
[CIF] data_NiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49558784 _cell_length_b 5.49558784 _cell_length_c 5.49558784 _cell_angle_alpha 147.66514666 _cell_angle_beta 147.66514666 _cell_angle_gamma 46.37992327 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiB2 _chemical_formula_sum 'Ni2 B4' _cell_volume 47.31444514 _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 B B0 1 1.53021963 -0.00000000 3.37941650 1 B B1 1 0.00000000 0.00000000 4.19793583 1 B B2 1 1.53021963 -0.00000000 1.67215172 1 B B3 1 -0.00000000 -0.00000000 5.90520061 1 Ni Ni4 1 0.00000000 1.53021963 2.52578411 1 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B4Ni2
I4_1/amd
141
tetragonal
4/mmm
5,637.46902
false
[CIF] data_Tl2CdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50061383 _cell_length_b 4.68877177 _cell_length_c 4.86675878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdAu _chemical_formula_sum 'Tl2 Cd1 Au1' _cell_volume 102.70005237 _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 0.00000000 2.34438588 2.43337939 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.25030691 0.00000000 2.43337939 1 Tl Tl3 1 2.25030691 2.34438588 0.00000000 1 [/CIF]
AuCdTl2
Pmmm
47
orthorhombic
mmm
11,611.546641
false
[CIF] data_TiCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87285236 _cell_length_b 4.87285236 _cell_length_c 4.97741332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 138.01814745 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoSi _chemical_formula_sum 'Ti2 Co2 Si2' _cell_volume 79.05480779 _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 0.00000000 0.00000000 2.48870666 1 Si Si2 1 1.74555364 -0.82589442 1.24435333 1 Si Si3 1 1.74555365 0.82589442 3.73305999 1 Ti Ti4 1 1.74555364 -1.84150290 3.73305999 1 Ti Ti5 1 1.74555364 1.84150290 1.24435333 1 [/CIF]
Co4Si4Ti4
Cmcm
63
orthorhombic
mmm
5,666.523576
false
[CIF] data_GaSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67151246 _cell_length_b 5.01614589 _cell_length_c 5.27195988 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.49396806 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSi2Ag _chemical_formula_sum 'Ga1 Si2 Ag1' _cell_volume 68.69766093 _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 1.19839623 2.50807294 1.95376608 1 Ga Ga1 1 -0.13646131 0.00000000 1.88330640 1 Si Si2 1 1.33347674 2.50807294 4.67380419 1 Si Si3 1 1.20793224 0.00000000 4.30518519 1 [/CIF]
AgGaSi2
Pm
6
monoclinic
m
5,650.429143
false
[CIF] data_SrSc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60524901 _cell_length_b 6.60524901 _cell_length_c 6.60524901 _cell_angle_alpha 147.74555694 _cell_angle_beta 130.26951538 _cell_angle_gamma 60.52324963 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Sn _chemical_formula_sum 'Sr1 Sc2 Sn1' _cell_volume 116.29078170 _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 2.77741137 2.40734982 1 Sc Sc1 1 1.83474724 0.00000000 3.29782355 1 Sn Sn2 1 0.00000000 0.00000000 5.70517337 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc2SnSr
Immm
71
orthorhombic
mmm
4,230.095582
false
[CIF] data_AlFeSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70744025 _cell_length_b 6.70744025 _cell_length_c 6.70744025 _cell_angle_alpha 154.65091982 _cell_angle_beta 142.72259359 _cell_angle_gamma 45.61882807 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeSn2 _chemical_formula_sum 'Al1 Fe1 Sn2' _cell_volume 78.02515854 _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 7.11806366 1 Fe Fe1 1 0.00000000 2.14369423 2.98393975 1 Sn Sn2 1 0.00000000 0.00000000 11.60974627 1 Sn Sn3 1 1.47169754 0.00000000 3.01990985 1 [/CIF]
AlFeSn2
Imm2
44
orthorhombic
mm2
6,815.518203
false
[CIF] data_CoSnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15476558 _cell_length_b 5.15476558 _cell_length_c 5.15476558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnTe2 _chemical_formula_sum 'Co1 Sn1 Te2' _cell_volume 96.85270687 _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 Sn Sn1 1 3.64496970 3.64496970 3.64496970 1 Te Te2 1 1.82248485 1.82248485 1.82248485 1 Te Te3 1 5.46745455 5.46745455 5.46745455 1 [/CIF]
CoSnTe2
Fm-3m
225
cubic
m-3m
7,421.093929
false
[CIF] data_KSr2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73082959 _cell_length_b 7.73082959 _cell_length_c 7.73082959 _cell_angle_alpha 149.11597850 _cell_angle_beta 132.16791384 _cell_angle_gamma 58.02739567 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2V _chemical_formula_sum 'K1 Sr2 V1' _cell_volume 174.45838646 _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 9.56323730 1 Sr Sr1 1 2.05843346 -0.00000000 0.02371146 1 Sr Sr2 1 0.00000000 0.00000000 4.05502262 1 V V3 1 2.05843346 -0.00000000 6.63994766 1 [/CIF]
KSr2V
Imm2
44
orthorhombic
mm2
2,525.000262
false
[CIF] data_TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74069806 _cell_length_b 7.80326037 _cell_length_c 7.80326037 _cell_angle_alpha 21.61351132 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHg _chemical_formula_sum 'Tc3 Hg3' _cell_volume 106.32805159 _cell_formula_units_Z 3 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 2.37034903 0.00000000 0.01544763 1 Hg Hg1 1 2.37034903 0.00000000 5.10512713 1 Hg Hg2 1 0.00000000 0.00000000 11.81887147 1 Tc Tc3 1 2.37034903 0.00000000 10.13475328 1 Tc Tc4 1 0.00000000 -0.00000000 7.10422659 1 Tc Tc5 1 0.00000000 0.00000000 1.59097016 1 [/CIF]
Hg3Tc3
Amm2
38
orthorhombic
mm2
14,031.813796
false
[CIF] data_AlInAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75922493 _cell_length_b 4.75922493 _cell_length_c 4.75922493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInAs _chemical_formula_sum 'Al1 In1 As1' _cell_volume 76.22434380 _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 As As1 1 5.04792033 5.04792033 5.04792033 1 In In2 1 3.36528022 3.36528022 3.36528022 1 [/CIF]
AlAsIn
F-43m
216
cubic
-43m
4,721.246511
false
[CIF] data_MnCrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85882688 _cell_length_b 3.82148798 _cell_length_c 5.69632846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrAu2 _chemical_formula_sum 'Mn1 Cr1 Au2' _cell_volume 62.23223211 _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 1.42941344 1.91074399 4.29929468 1 Au Au1 1 1.42941344 1.91074399 1.39703378 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 2.84816423 1 [/CIF]
Au2CrMn
Pmmm
47
orthorhombic
mmm
13,364.612876
false
[CIF] data_In2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54372337 _cell_length_b 4.54372337 _cell_length_c 3.22296349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.11691273 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2NiOs _chemical_formula_sum 'In2 Ni1 Os1' _cell_volume 66.44100721 _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 1.56216424 -1.64954491 1.61148175 1 In In1 1 1.56216424 1.64954491 1.61148175 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.12432848 0.00000000 0.00000000 1 [/CIF]
In2NiOs
Cmmm
65
orthorhombic
mmm
11,960.483634
false
[CIF] data_VFe3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67514114 _cell_length_b 4.67514114 _cell_length_c 4.67514114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe3Sn _chemical_formula_sum 'V1 Fe3 Sn1' _cell_volume 102.18430126 _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 V V0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.33757057 2.33757057 2.33757057 1 Fe Fe2 1 2.33757057 0.00000000 2.33757057 1 Fe Fe3 1 2.33757057 2.33757057 0.00000000 1 Fe Fe4 1 0.00000000 2.33757057 2.33757057 1 [/CIF]
Fe3SnV
Pm-3m
221
cubic
m-3m
5,479.42638
false
[CIF] data_Pb3W2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92938902 _cell_length_b 4.92938902 _cell_length_c 5.79902036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb3W2 _chemical_formula_sum 'Pb3 W2' _cell_volume 122.03136032 _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 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 2.46469451 1.42299204 3.46023706 1 Pb Pb2 1 0.00000000 2.84598408 2.33878330 1 W W3 1 2.46469451 1.42299204 0.45084600 1 W W4 1 0.00000000 2.84598408 5.34817436 1 [/CIF]
Pb3W2
P-3m1
164
trigonal
-3m
13,461.605969
false
[CIF] data_Zr2TlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87511602 _cell_length_b 4.87511602 _cell_length_c 4.87511602 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TlW _chemical_formula_sum 'Zr2 Tl1 W1' _cell_volume 81.92941812 _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 Tl Tl0 1 5.17084140 5.17084140 5.17084140 1 W W1 1 3.44722760 3.44722760 3.44722760 1 Zr Zr2 1 1.72361380 1.72361380 1.72361380 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TlWZr2
F-43m
216
cubic
-43m
11,566.321471
false
[CIF] data_Ta2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19017327 _cell_length_b 3.19017327 _cell_length_c 5.94204145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeTc _chemical_formula_sum 'Ta2 Be1 Tc1' _cell_volume 60.47337688 _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 4.30704454 1 Ta Ta1 1 1.59508664 1.59508664 5.75210784 1 Ta Ta2 1 0.00000000 0.00000000 1.59654923 1 Tc Tc3 1 1.59508664 1.59508664 3.19940196 1 [/CIF]
BeTa2Tc
P4mm
99
tetragonal
4mm
12,900.63127
false
[CIF] data_NbHgOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65170480 _cell_length_b 4.65170480 _cell_length_c 4.65170480 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbHgOsAu _chemical_formula_sum 'Nb1 Hg1 Os1 Au1' _cell_volume 71.17401113 _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 3.28925201 3.28925201 3.28925201 1 Hg Hg1 1 4.93387801 4.93387802 4.93387802 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.64462600 1.64462601 1.64462600 1 [/CIF]
AuHgNbOs
F-43m
216
cubic
-43m
15,881.038826
false
[CIF] data_La3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97657900 _cell_length_b 4.97657900 _cell_length_c 4.97657900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Al _chemical_formula_sum 'La3 Al1' _cell_volume 123.25164030 _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 0.00000000 2.48828950 2.48828950 1 La La1 1 2.48828950 2.48828950 0.00000000 1 La La2 1 2.48828950 0.00000000 2.48828950 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlLa3
Pm-3m
221
cubic
m-3m
5,977.833444
false
[CIF] data_LiNbZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65997201 _cell_length_b 4.65997201 _cell_length_c 4.65997201 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbZnIn _chemical_formula_sum 'Li1 Nb1 Zn1 In1' _cell_volume 71.55416649 _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 3.29509781 3.29509781 3.29509781 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.94264672 4.94264672 4.94264672 1 Zn Zn3 1 1.64754891 1.64754891 1.64754890 1 [/CIF]
InLiNbZn
F-43m
216
cubic
-43m
6,498.940826
false
[CIF] data_TiAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22542335 _cell_length_b 3.22542335 _cell_length_c 9.29323001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.10358973 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgPb2 _chemical_formula_sum 'Ti1 Ag1 Pb2' _cell_volume 96.66284451 _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 2.25864852 0.00000000 2.62966468 1 Pb Pb1 1 0.00000000 0.00000000 0.44447001 1 Pb Pb2 1 2.25864852 0.00000000 6.53730825 1 Ti Ti3 1 0.00000000 0.00000000 4.32840217 1 [/CIF]
AgPb2Ti
Cmm2
35
orthorhombic
mm2
9,794.164217
false
[CIF] data_Ga2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46003538 _cell_length_b 4.46003538 _cell_length_c 4.46003538 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2NiGe _chemical_formula_sum 'Ga2 Ni1 Ge1' _cell_volume 62.73355704 _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 Ga Ga0 1 1.57686063 1.57686063 1.57686063 1 Ga Ga1 1 3.15372126 3.15372126 3.15372126 1 Ge Ge2 1 4.73058189 4.73058189 4.73058189 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2GeNi
F-43m
216
cubic
-43m
7,167.452211
false
[CIF] data_BaY2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58183402 _cell_length_b 3.58183402 _cell_length_c 9.98037801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Mo _chemical_formula_sum 'Ba1 Y2 Mo1' _cell_volume 128.04360846 _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 4.99018901 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.79091701 1.79091701 1.67631367 1 Y Y3 1 1.79091701 1.79091701 8.30406434 1 [/CIF]
BaMoY2
P4/mmm
123
tetragonal
4/mmm
5,331.351246
false
[CIF] data_LiMgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17610115 _cell_length_b 3.17610115 _cell_length_c 6.49103169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgZn2 _chemical_formula_sum 'Li1 Mg1 Zn2' _cell_volume 65.47905146 _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 Mg Mg1 1 0.00000000 0.00000000 3.24551584 1 Zn Zn2 1 1.58805058 1.58805058 5.06276449 1 Zn Zn3 1 1.58805058 1.58805058 1.42826720 1 [/CIF]
LiMgZn2
P4/mmm
123
tetragonal
4/mmm
4,108.448214
false
[CIF] data_In3RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16163253 _cell_length_b 5.16163253 _cell_length_c 5.16163253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3RhPb _chemical_formula_sum 'In3 Rh1 Pb1' _cell_volume 137.51853853 _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 2.58081626 2.58081626 2.58081626 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 0.00000000 2.58081626 0.00000000 1 In In3 1 0.00000000 0.00000000 2.58081626 1 In In4 1 2.58081626 0.00000000 0.00000000 1 [/CIF]
In3PbRh
Pm-3m
221
cubic
m-3m
7,903.81888
false
[CIF] data_Fe2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68911484 _cell_length_b 2.68911484 _cell_length_c 6.38345969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SiIr _chemical_formula_sum 'Fe2 Si1 Ir1' _cell_volume 46.16095860 _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 1.34455742 1.34455742 1.38712834 1 Fe Fe1 1 1.34455742 1.34455742 4.99633135 1 Ir Ir2 1 0.00000000 0.00000000 3.19172984 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2IrSi
P4/mmm
123
tetragonal
4/mmm
11,942.700775
false
[CIF] data_Co2SiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57112011 _cell_length_b 2.80833501 _cell_length_c 5.11700056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2SiB _chemical_formula_sum 'Co2 Si1 B1' _cell_volume 36.94764344 _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 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.28556006 1.40416751 1.18212839 1 Co Co2 1 1.28556006 1.40416751 3.93487217 1 Si Si3 1 0.00000000 0.00000000 2.55850028 1 [/CIF]
BCo2Si
Pmmm
47
orthorhombic
mmm
7,045.39935
false
[CIF] data_SrRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15137369 _cell_length_b 4.60165849 _cell_length_c 5.10288373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRuW2 _chemical_formula_sum 'Sr1 Ru1 W2' _cell_volume 73.99970057 _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 Ru Ru0 1 1.57568684 2.30082924 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.30082924 2.55144186 1 W W3 1 1.57568684 0.00000000 2.55144186 1 [/CIF]
RuSrW2
Pmmm
47
orthorhombic
mmm
12,484.83593
false
[CIF] data_Hf4NbGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95492000 _cell_length_b 13.50009100 _cell_length_c 7.06402000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4NbGe4 _chemical_formula_sum 'Hf16 Nb4 Ge16' _cell_volume 663.25533951 _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 Hf Hf0 1 2.42682892 1.68394735 4.72861260 1 Hf Hf1 1 5.90428892 1.68394735 5.86741740 1 Hf Hf2 1 4.52809108 8.43399285 2.33540740 1 Hf Hf3 1 6.84839845 12.21195282 4.78177642 1 Hf Hf4 1 3.37093845 8.03818368 5.81425358 1 Hf Hf5 1 3.58398155 1.28813818 1.24976642 1 Hf Hf6 1 3.58398155 5.46190732 1.24976642 1 Hf Hf7 1 0.10652155 1.28813818 2.28224358 1 Hf Hf8 1 1.05063108 11.81614365 1.19660260 1 Hf Hf9 1 1.05063108 8.43399285 1.19660260 1 Hf Hf10 1 6.84839845 8.03818368 4.78177642 1 Hf Hf11 1 4.52809108 11.81614365 2.33540740 1 Hf Hf12 1 3.37093845 12.21195282 5.81425358 1 Hf Hf13 1 0.10652155 5.46190732 2.28224358 1 Hf Hf14 1 2.42682892 5.06609815 4.72861260 1 Hf Hf15 1 5.90428892 5.06609815 5.86741740 1 Nb Nb16 1 4.70260393 3.37502275 3.55475614 1 Nb Nb17 1 1.22514393 3.37502275 7.04127386 1 Nb Nb18 1 2.25231607 10.12506825 3.50926386 1 Nb Nb19 1 5.72977607 10.12506825 0.02274614 1 Ge Ge20 1 4.81181009 6.20542483 3.75481625 1 Ge Ge21 1 1.33435009 0.54462067 6.84121375 1 Ge Ge22 1 2.20408370 3.37502275 2.47831252 1 Ge Ge23 1 5.62056991 12.95547033 0.22280625 1 Ge Ge24 1 2.14310991 12.95547033 3.30920375 1 Ge Ge25 1 3.14692743 10.12506825 0.76844529 1 Ge Ge26 1 4.75083630 10.12506825 4.58570748 1 Ge Ge27 1 6.62438743 10.12506825 2.76356471 1 Ge Ge28 1 5.68154370 3.37502275 1.05369748 1 Ge Ge29 1 4.81181009 0.54462067 3.75481625 1 Ge Ge30 1 1.33435009 6.20542483 6.84121375 1 Ge Ge31 1 0.33053257 3.37502275 4.30045529 1 Ge Ge32 1 2.14310991 7.29466617 3.30920375 1 Ge Ge33 1 3.80799257 3.37502275 6.29557471 1 Ge Ge34 1 5.62056991 7.29466617 0.22280625 1 Ge Ge35 1 1.27337630 10.12506825 6.01032252 1 [/CIF]
Ge16Hf16Nb4
Pnma
62
orthorhombic
mmm
10,990.15277
false
[CIF] data_TiC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99478348 _cell_length_b 6.99478348 _cell_length_c 6.99478348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiC2 _chemical_formula_sum 'Ti8 C16' _cell_volume 241.99580009 _cell_formula_units_Z 8 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 1.23651471 3.70954412 3.70954412 1 C C1 1 3.70954412 1.23651471 3.70954412 1 C C2 1 1.23651471 1.23651471 1.23651471 1 C C3 1 3.70954412 3.70954412 1.23651471 1 C C4 1 7.41908825 7.41908825 6.21354902 1 C C5 1 8.62462747 7.41908825 7.41908825 1 C C6 1 7.41908825 8.62462747 7.41908824 1 C C7 1 7.41908825 6.21354902 7.41908824 1 C C8 1 6.21354902 7.41908825 7.41908825 1 C C9 1 7.41908825 7.41908825 8.62462747 1 C C10 1 4.94605883 4.94605883 6.15159805 1 C C11 1 3.74051961 4.94605883 4.94605883 1 C C12 1 4.94605883 3.74051961 4.94605883 1 C C13 1 4.94605883 6.15159805 4.94605883 1 C C14 1 6.15159805 4.94605883 4.94605883 1 C C15 1 4.94605883 4.94605883 3.74051961 1 Ti Ti16 1 6.39921573 6.39921573 3.49290193 1 Ti Ti17 1 3.49290193 3.49290193 3.49290193 1 Ti Ti18 1 6.39921573 3.49290193 6.39921573 1 Ti Ti19 1 3.49290193 6.39921573 6.39921573 1 Ti Ti20 1 5.96593135 5.96593135 8.87224514 1 Ti Ti21 1 8.87224514 8.87224514 8.87224514 1 Ti Ti22 1 5.96593135 8.87224514 5.96593135 1 Ti Ti23 1 8.87224514 5.96593135 5.96593135 1 [/CIF]
C16Ti8
Fd-3m
227
cubic
m-3m
3,946.299782
false
[CIF] data_SnOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87827086 _cell_length_b 2.87827086 _cell_length_c 7.63764755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnOs3 _chemical_formula_sum 'Sn1 Os3' _cell_volume 63.27365689 _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 1.43913543 1.43913543 5.59741024 1 Os Os1 1 0.00000000 0.00000000 3.81882377 1 Os Os2 1 1.43913543 1.43913543 2.04023731 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os3Sn
P4/mmm
123
tetragonal
4/mmm
18,092.651939
false
[CIF] data_Eu2ZrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00667513 _cell_length_b 5.00667513 _cell_length_c 5.00667513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2ZrOs _chemical_formula_sum 'Eu2 Zr1 Os1' _cell_volume 88.74282294 _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 Eu Eu0 1 1.77012697 1.77012697 1.77012697 1 Eu Eu1 1 5.31038091 5.31038091 5.31038091 1 Os Os2 1 3.54025394 3.54025394 3.54025394 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Eu2OsZr
Fm-3m
225
cubic
m-3m
10,953.558245
false
[CIF] data_BiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21964501 _cell_length_b 6.21964501 _cell_length_c 6.21964501 _cell_angle_alpha 151.46036028 _cell_angle_beta 151.46036028 _cell_angle_gamma 40.80188428 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRu2 _chemical_formula_sum 'Bi1 Ru2' _cell_volume 54.80471497 _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 0.00000000 1 Ru Ru1 1 0.00000000 -0.00000000 8.02330375 1 Ru Ru2 1 0.00000000 -0.00000000 3.63574745 1 [/CIF]
BiRu2
I4/mmm
139
tetragonal
4/mmm
12,456.619574
false
[CIF] data_Ta3WF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95443433 _cell_length_b 4.95443433 _cell_length_c 4.95443433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3WF _chemical_formula_sum 'Ta3 W1 F1' _cell_volume 121.61362360 _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 F F0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.47721716 2.47721716 2.47721716 1 Ta Ta2 1 2.47721716 0.00000000 2.47721716 1 Ta Ta3 1 2.47721716 2.47721716 0.00000000 1 Ta Ta4 1 0.00000000 2.47721716 2.47721716 1 [/CIF]
FTa3W
Pm-3m
221
cubic
m-3m
10,181.706024
false
[CIF] data_Zr3AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19206285 _cell_length_b 5.19206285 _cell_length_c 5.19206285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3AuSe _chemical_formula_sum 'Zr3 Au1 Se1' _cell_volume 139.96512067 _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 2.59603142 2.59603142 2.59603142 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.59603142 0.00000000 2.59603142 1 Zr Zr3 1 2.59603142 2.59603142 0.00000000 1 Zr Zr4 1 0.00000000 2.59603142 2.59603142 1 [/CIF]
AuSeZr3
Pm-3m
221
cubic
m-3m
6,520.409445
false
[CIF] data_LaCd3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14364531 _cell_length_b 5.14364531 _cell_length_c 5.14364531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCd3Pd _chemical_formula_sum 'La1 Cd3 Pd1' _cell_volume 136.08587185 _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 2.57182266 0.00000000 1 Cd Cd1 1 0.00000000 0.00000000 2.57182266 1 Cd Cd2 1 2.57182266 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.57182266 2.57182266 2.57182266 1 [/CIF]
Cd3LaPd
Pm-3m
221
cubic
m-3m
7,108.460892
false
[CIF] data_ZnSn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07510119 _cell_length_b 5.07510119 _cell_length_c 5.07510119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSn2As _chemical_formula_sum 'Zn1 Sn2 As1' _cell_volume 92.43131272 _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 1.79431923 1.79431924 1.79431924 1 Sn Sn1 1 5.38295771 5.38295771 5.38295770 1 Sn Sn2 1 3.58863847 3.58863847 3.58863847 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsSn2Zn
F-43m
216
cubic
-43m
6,785.81159
false
[CIF] data_Ba2FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80972436 _cell_length_b 5.80972436 _cell_length_c 3.66358551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2FeCl _chemical_formula_sum 'Ba2 Fe1 Cl1' _cell_volume 123.65662496 _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 2.90486218 0.00000000 1.83179276 1 Ba Ba1 1 0.00000000 2.90486218 1.83179276 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 2.90486218 2.90486218 0.00000000 1 [/CIF]
Ba2ClFe
P4/mmm
123
tetragonal
4/mmm
4,914.234843
false
[CIF] data_BaLiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72805172 _cell_length_b 4.72805172 _cell_length_c 4.72805172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiOs2 _chemical_formula_sum 'Ba1 Li1 Os2' _cell_volume 74.73631095 _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 3.34323743 3.34323743 3.34323743 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.67161871 1.67161871 1.67161871 1 Os Os3 1 5.01485614 5.01485615 5.01485615 1 [/CIF]
BaLiOs2
Fm-3m
225
cubic
m-3m
11,658.741678
false
[CIF] data_BaScNbSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35900498 _cell_length_b 5.35900498 _cell_length_c 5.35900498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScNbSn _chemical_formula_sum 'Ba1 Sc1 Nb1 Sn1' _cell_volume 108.82720702 _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 5.68408314 5.68408314 5.68408314 1 Nb Nb1 1 1.89469438 1.89469438 1.89469438 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.78938876 3.78938876 3.78938876 1 [/CIF]
BaNbScSn
F-43m
216
cubic
-43m
6,010.309192
false
[CIF] data_KOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58160368 _cell_length_b 4.58160368 _cell_length_c 4.58160368 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KOs2Pt _chemical_formula_sum 'K1 Os2 Pt1' _cell_volume 68.00448541 _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 Os Os1 1 3.23968303 3.23968303 3.23968303 1 Os Os2 1 1.61984151 1.61984151 1.61984151 1 Pt Pt3 1 4.85952455 4.85952455 4.85952455 1 [/CIF]
KOs2Pt
F-43m
216
cubic
-43m
15,008.385771
false
[CIF] data_KZrRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77874707 _cell_length_b 4.78315429 _cell_length_c 7.67572628 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.29317909 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrRe2 _chemical_formula_sum 'K1 Zr1 Re2' _cell_volume 100.68041834 _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 Re Re1 1 1.90655334 2.39157715 2.65626280 1 Re Re2 1 -0.36733120 2.39157715 4.91871918 1 Zr Zr3 1 0.76961107 0.00000000 3.78749099 1 [/CIF]
KRe2Zr
P2/m
10
monoclinic
2/m
8,291.714318
false
[CIF] data_TaRuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59594041 _cell_length_b 6.59594041 _cell_length_c 6.59594041 _cell_angle_alpha 153.34239306 _cell_angle_beta 153.34239306 _cell_angle_gamma 38.05613487 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRuCl _chemical_formula_sum 'Ta1 Ru1 Cl1' _cell_volume 57.67339234 _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 0.35602253 1 Ru Ru1 1 0.00000000 -0.00000000 3.66417526 1 Ta Ta2 1 0.00000000 -0.00000000 8.45086515 1 [/CIF]
ClRuTa
I4mm
107
tetragonal
4mm
9,140.658757
false
[CIF] data_Sr2LiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59730617 _cell_length_b 5.59730617 _cell_length_c 5.59730617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiAg _chemical_formula_sum 'Sr2 Li1 Ag1' _cell_volume 124.00014477 _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 1.97894658 1.97894657 1.97894657 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.93683973 5.93683973 5.93683973 1 Sr Sr3 1 3.95789315 3.95789315 3.95789315 1 [/CIF]
AgLiSr2
F-43m
216
cubic
-43m
3,884.173109
false
[CIF] data_HfMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04697457 _cell_length_b 3.04697457 _cell_length_c 6.28415344 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Mo _chemical_formula_sum 'Hf1 Mn2 Mo1' _cell_volume 58.34242007 _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 1.52348728 1.52348728 4.82025072 1 Mn Mn1 1 0.00000000 0.00000000 0.13757407 1 Mn Mn2 1 1.52348728 1.52348728 1.53706861 1 Mo Mo3 1 0.00000000 0.00000000 2.93133675 1 [/CIF]
HfMn2Mo
P4mm
99
tetragonal
4mm
10,938.678198
false
[CIF] data_LiGaNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30448739 _cell_length_b 4.30448739 _cell_length_c 4.30448739 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaNiAu _chemical_formula_sum 'Li1 Ga1 Ni1 Au1' _cell_volume 56.39613228 _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 3.04373222 3.04373222 3.04373222 1 Ga Ga1 1 1.52186611 1.52186611 1.52186611 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 4.56559833 4.56559833 4.56559833 1 [/CIF]
AuGaLiNi
F-43m
216
cubic
-43m
9,785.013811
false
[CIF] data_GaSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39826950 _cell_length_b 7.21975631 _cell_length_c 2.98702712 _cell_angle_alpha 81.58377580 _cell_angle_beta 74.87562724 _cell_angle_gamma 23.54059696 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbW _chemical_formula_sum 'Ga1 Sb1 W1' _cell_volume 59.70618559 _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 Ga Ga0 1 1.77662892 2.40123316 0.25672846 1 Sb Sb1 1 1.77662892 2.40123316 4.46355009 1 W W2 1 1.77662892 2.40123316 9.27521657 1 [/CIF]
GaSbW
Fmm2
42
orthorhombic
mm2
10,438.424393
false
[CIF] data_LiBeCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99515985 _cell_length_b 3.99515985 _cell_length_c 3.99515985 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeCoOs _chemical_formula_sum 'Li1 Be1 Co1 Os1' _cell_volume 45.09075247 _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 4.23750693 4.23750693 4.23750693 1 Co Co1 1 1.41250231 1.41250231 1.41250231 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.82500462 2.82500462 2.82500462 1 [/CIF]
BeCoLiOs
F-43m
216
cubic
-43m
9,763.334543
false
[CIF] data_ZrGeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82295499 _cell_length_b 2.82295499 _cell_length_c 8.80302622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeW2 _chemical_formula_sum 'Zr1 Ge1 W2' _cell_volume 70.15197508 _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 0.00000000 0.00000000 0.00000000 1 W W1 1 1.41147749 1.41147749 2.00916283 1 W W2 1 1.41147749 1.41147749 6.79386339 1 Zr Zr3 1 0.00000000 0.00000000 4.40151311 1 [/CIF]
GeW2Zr
P4/mmm
123
tetragonal
4/mmm
12,581.963325
false
[CIF] data_CaP4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92125330 _cell_length_b 3.66616548 _cell_length_c 7.97099613 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaP4Rh _chemical_formula_sum 'Ca2 P8 Rh2' _cell_volume 202.25972188 _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 Ca Ca0 1 1.73031333 0.00000000 2.52913976 1 Ca Ca1 1 5.19093998 0.00000000 5.44185637 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 3.46062665 0.00000000 0.00000000 1 P P4 1 1.73031333 1.83308274 7.81611704 1 P P5 1 5.19093998 1.83308274 0.15487909 1 P P6 1 0.32166898 1.83308274 5.01585836 1 P P7 1 3.13895767 1.83308274 5.01585836 1 P P8 1 6.59958432 1.83308274 2.95513777 1 P P9 1 3.78229563 1.83308274 2.95513777 1 Rh Rh10 1 1.73031333 0.00000000 5.81748000 1 Rh Rh11 1 5.19093998 0.00000000 2.15351613 1 [/CIF]
Ca2P8Rh2
Pmma
51
orthorhombic
mmm
4,382.110792
false
[CIF] data_Os2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15800151 _cell_length_b 4.15800151 _cell_length_c 4.27398899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os2PbCl _chemical_formula_sum 'Os2 Pb1 Cl1' _cell_volume 73.89289545 _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 0.00000000 1 Os Os1 1 0.00000000 2.07900076 2.13699450 1 Os Os2 1 2.07900076 0.00000000 2.13699450 1 Pb Pb3 1 2.07900076 2.07900076 0.00000000 1 [/CIF]
ClOs2Pb
P4/mmm
123
tetragonal
4/mmm
14,002.746449
false
[CIF] data_Mn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71535047 _cell_length_b 5.71535047 _cell_length_c 5.71535047 _cell_angle_alpha 153.42270632 _cell_angle_beta 153.42270632 _cell_angle_gamma 37.93923710 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Pt _chemical_formula_sum 'Mn2 Pt1' _cell_volume 37.31238093 _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 3.45965792 1 Mn Mn1 1 -0.00000000 0.00000000 7.35025396 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2Pt
I4/mmm
139
tetragonal
4/mmm
13,571.852841
false
[CIF] data_ZnHgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33441688 _cell_length_b 3.33441688 _cell_length_c 8.23096865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHgCl2 _chemical_formula_sum 'Zn1 Hg1 Cl2' _cell_volume 91.51467448 _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 1.66720844 1.66720844 7.57541521 1 Cl Cl1 1 0.00000000 0.00000000 2.48784295 1 Hg Hg2 1 1.66720844 1.66720844 4.18264961 1 Zn Zn3 1 0.00000000 0.00000000 6.33151386 1 [/CIF]
Cl2HgZn
P4mm
99
tetragonal
4mm
6,112.634523
false
[CIF] data_RePdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97679114 _cell_length_b 2.97679114 _cell_length_c 8.02231903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePdCl2 _chemical_formula_sum 'Re1 Pd1 Cl2' _cell_volume 71.08805923 _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 7.47524436 1 Cl Cl1 1 1.48839557 1.48839557 2.49290275 1 Pd Pd2 1 0.00000000 0.00000000 4.20262355 1 Re Re3 1 1.48839557 1.48839557 5.88502691 1 [/CIF]
Cl2PdRe
P4mm
99
tetragonal
4mm
8,491.732016
false
[CIF] data_Sc3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31987474 _cell_length_b 6.31987474 _cell_length_c 4.87808286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.59368258 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Mo _chemical_formula_sum 'Sc6 Mo2' _cell_volume 167.71327437 _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 Mo Mo0 1 3.13153936 -0.72540334 3.65856215 1 Mo Mo1 1 3.13153936 0.72540334 1.21952072 1 Sc Sc2 1 3.13153936 -4.60394394 1.21952072 1 Sc Sc3 1 3.13153936 4.60394394 3.65856215 1 Sc Sc4 1 4.63794720 -1.81326913 1.21952072 1 Sc Sc5 1 1.62513152 1.81326913 3.65856215 1 Sc Sc6 1 1.62513152 -1.81326913 1.21952072 1 Sc Sc7 1 4.63794720 1.81326913 3.65856215 1 [/CIF]
Mo2Sc6
Cmcm
63
orthorhombic
mmm
4,570.878181
false
[CIF] data_RbGa3S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26111900 _cell_length_b 12.92120900 _cell_length_c 10.52263951 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.42558339 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbGa3S5 _chemical_formula_sum 'Rb4 Ga12 S20' _cell_volume 960.28014002 _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 Rb Rb0 1 4.59570337 5.00092136 6.12409871 1 Rb Rb1 1 -0.99933937 11.46152586 9.22852129 1 Rb Rb2 1 0.22224563 7.92028764 4.11098129 1 Rb Rb3 1 5.81728837 1.45968314 1.00655871 1 Ga Ga4 1 4.32754991 1.02922598 6.13185690 1 Ga Ga5 1 5.54913491 5.43137852 1.01431690 1 Ga Ga6 1 -0.73118591 7.48983048 9.22076310 1 Ga Ga7 1 3.58857515 7.78749637 2.00188953 1 Ga Ga8 1 2.36699015 11.59431713 7.11942953 1 Ga Ga9 1 3.02030392 8.56913907 8.96593008 1 Ga Ga10 1 1.22937385 5.13371263 8.23319047 1 Ga Ga11 1 0.49039909 11.89198302 4.10322310 1 Ga Ga12 1 1.79764508 4.35206993 1.26914992 1 Ga Ga13 1 2.45095885 1.32689187 3.11565047 1 Ga Ga14 1 4.24188892 10.81267443 3.84839008 1 Ga Ga15 1 0.57606008 2.10853457 6.38668992 1 S S16 1 4.21563491 2.17182265 4.20491886 1 S S17 1 4.43950931 11.60102323 6.03722335 1 S S18 1 2.99404991 4.28878185 9.32245886 1 S S19 1 5.66109431 7.78079027 0.91968335 1 S S20 1 1.82389909 8.63242715 0.91262114 1 S S21 1 1.04489932 4.33227464 6.12440576 1 S S22 1 3.57936543 5.43830429 2.36601274 1 S S23 1 -0.84314531 5.14041873 9.31539665 1 S S24 1 0.37843969 1.32018577 4.19785665 1 S S25 1 -0.11572271 4.71887721 2.45361479 1 S S26 1 4.93367171 8.20233179 7.78146521 1 S S27 1 0.60231409 10.74938635 6.03016114 1 S S28 1 2.46016857 11.89890879 2.75152726 1 S S29 1 2.35778043 1.02230021 7.48355274 1 S S30 1 -1.33730771 1.74172729 7.57115479 1 S S31 1 6.15525671 11.17948171 2.66392521 1 S S32 1 2.26648432 2.12832986 1.00686576 1 S S33 1 3.77304968 8.58893436 4.11067424 1 S S34 1 1.23858357 7.48290471 7.86906726 1 S S35 1 2.55146468 10.79287914 9.22821424 1 [/CIF]
Ga12Rb4S20
P2_1/c
14
monoclinic
2/m
3,146.9227
false
[CIF] data_ScMnReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41621533 _cell_length_b 4.41621533 _cell_length_c 4.41621533 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnReRu _chemical_formula_sum 'Sc1 Mn1 Re1 Ru1' _cell_volume 60.90258497 _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 4.68410372 4.68410372 4.68410372 1 Re Re1 1 1.56136791 1.56136791 1.56136791 1 Ru Ru2 1 3.12273581 3.12273581 3.12273581 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnReRuSc
F-43m
216
cubic
-43m
10,556.407415
false
[CIF] data_MnCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92163938 _cell_length_b 2.92163938 _cell_length_c 7.07783235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.89939460 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr2In _chemical_formula_sum 'Mn1 Cr2 In1' _cell_volume 60.33887253 _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 2.01298368 0.00000000 1.46352600 1 Cr Cr1 1 2.01298368 0.00000000 5.61430635 1 In In2 1 0.00000000 0.00000000 3.53891617 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2InMn
Cmmm
65
orthorhombic
mmm
7,533.612018
false
[CIF] data_NbSbPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87239212 _cell_length_b 4.87239212 _cell_length_c 4.87239212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbPd3 _chemical_formula_sum 'Nb1 Sb1 Pd3' _cell_volume 115.67158763 _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 Sb Sb0 1 2.43619606 2.43619606 2.43619606 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.43619606 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 2.43619606 1 Pd Pd4 1 2.43619606 0.00000000 0.00000000 1 [/CIF]
NbPd3Sb
Pm-3m
221
cubic
m-3m
7,664.852112
false
[CIF] data_BeNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25657270 _cell_length_b 3.25657270 _cell_length_c 6.56566958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiSn2 _chemical_formula_sum 'Be1 Ni1 Sn2' _cell_volume 69.63067073 _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 Ni Ni1 1 0.00000000 0.00000000 3.28283479 1 Sn Sn2 1 1.62828635 1.62828635 4.88558696 1 Sn Sn3 1 1.62828635 1.62828635 1.68008262 1 [/CIF]
BeNiSn2
P4/mmm
123
tetragonal
4/mmm
7,276.577173
false
[CIF] data_La3MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57098179 _cell_length_b 5.57098179 _cell_length_c 5.57098179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3MoP _chemical_formula_sum 'La3 Mo1 P1' _cell_volume 172.90008892 _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 P P0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.78549090 2.78549090 2.78549090 1 La La2 1 0.00000000 2.78549090 0.00000000 1 La La3 1 0.00000000 0.00000000 2.78549090 1 La La4 1 2.78549090 0.00000000 0.00000000 1 [/CIF]
La3MoP
Pm-3m
221
cubic
m-3m
5,221.237044
false
[CIF] data_Ga2CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61939388 _cell_length_b 4.61939388 _cell_length_c 4.61939388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CuAs _chemical_formula_sum 'Ga2 Cu1 As1' _cell_volume 69.70115698 _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 3.26640474 3.26640474 3.26640474 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 1.63320237 1.63320237 1.63320237 1 Ga Ga3 1 4.89960711 4.89960711 4.89960711 1 [/CIF]
AsCuGa2
Fm-3m
225
cubic
m-3m
6,620.92869
false
[CIF] data_SrGaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60895254 _cell_length_b 4.60895254 _cell_length_c 3.40084542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaRh2 _chemical_formula_sum 'Sr1 Ga1 Rh2' _cell_volume 72.24226658 _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 Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.30447627 1.70042271 1 Rh Rh2 1 2.30447627 0.00000000 1.70042271 1 Sr Sr3 1 2.30447627 2.30447627 0.00000000 1 [/CIF]
GaRh2Sr
P4/mmm
123
tetragonal
4/mmm
8,347.381802
false
[CIF] data_K2LaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39417259 _cell_length_b 5.39417259 _cell_length_c 5.39417259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaOs _chemical_formula_sum 'K2 La1 Os1' _cell_volume 110.98378111 _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 K K1 1 5.72138403 5.72138403 5.72138403 1 La La2 1 3.81425602 3.81425602 3.81425602 1 Os Os3 1 1.90712801 1.90712801 1.90712801 1 [/CIF]
K2LaOs
F-43m
216
cubic
-43m
6,094.501454
false
[CIF] data_Cr2NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58367175 _cell_length_b 3.58367175 _cell_length_c 4.21464386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2NiSn _chemical_formula_sum 'Cr2 Ni1 Sn1' _cell_volume 54.12742024 _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 1.79183588 0.00000000 2.10732193 1 Cr Cr1 1 0.00000000 1.79183588 2.10732193 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.79183588 1.79183588 0.00000000 1 [/CIF]
Cr2NiSn
P4/mmm
123
tetragonal
4/mmm
8,632.748151
false
[CIF] data_FeRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91897714 _cell_length_b 2.91897714 _cell_length_c 7.09390940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRe2Br _chemical_formula_sum 'Fe1 Re2 Br1' _cell_volume 60.44314105 _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 1.45948857 1.45948857 3.65453455 1 Fe Fe1 1 0.00000000 0.00000000 5.40198640 1 Re Re2 1 1.45948857 1.45948857 7.04449372 1 Re Re3 1 0.00000000 0.00000000 1.63375883 1 [/CIF]
BrFeRe2
P4mm
99
tetragonal
4mm
13,960.633069
false
[CIF] data_K2MgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14840164 _cell_length_b 6.14840164 _cell_length_c 6.14840164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgHg _chemical_formula_sum 'K2 Mg1 Hg1' _cell_volume 164.35075006 _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 4.34757649 4.34757649 4.34757649 1 K K1 1 6.52136473 6.52136474 6.52136474 1 K K2 1 2.17378824 2.17378824 2.17378824 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Mg
Fm-3m
225
cubic
m-3m
3,062.325194
false
[CIF] data_SrP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42879732 _cell_length_b 6.42879732 _cell_length_c 4.74945791 _cell_angle_alpha 99.43339217 _cell_angle_beta 99.43339217 _cell_angle_gamma 31.37223156 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrP2Cl _chemical_formula_sum 'Sr1 P2 Cl1' _cell_volume 100.69731266 _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 0.00000000 1 P P1 1 2.33950290 -0.00000000 2.93277799 1 P P2 1 9.23068689 -0.00000000 1.74734938 1 Sr Sr3 1 5.78509489 -0.00000000 2.34006368 1 [/CIF]
ClP2Sr
C2/m
12
monoclinic
2/m
3,051.062636
false
[CIF] data_BaNaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45851995 _cell_length_b 5.45851995 _cell_length_c 5.45851995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaCl _chemical_formula_sum 'Ba1 Na1 Cl1' _cell_volume 115.00314238 _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 3.85975647 3.85975647 3.85975647 1 Cl Cl1 1 1.92987824 1.92987824 1.92987823 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaClNa
F-43m
216
cubic
-43m
2,826.734498
false
[CIF] data_GeP3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51541218 _cell_length_b 4.51541218 _cell_length_c 4.51541218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeP3W _chemical_formula_sum 'Ge1 P3 W1' _cell_volume 92.06450032 _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 P P0 1 0.00000000 2.25770609 0.00000000 1 P P1 1 0.00000000 0.00000000 2.25770609 1 P P2 1 2.25770609 0.00000000 0.00000000 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 2.25770609 2.25770609 2.25770609 1 [/CIF]
GeP3W
Pm-3m
221
cubic
m-3m
6,302.043494
false
[CIF] data_ZnPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01011409 _cell_length_b 3.01011409 _cell_length_c 7.22426686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPdAu2 _chemical_formula_sum 'Zn1 Pd1 Au2' _cell_volume 65.45754199 _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 1.50505704 1.50505704 1.70967209 1 Au Au1 1 1.50505704 1.50505704 5.51459477 1 Pd Pd2 1 0.00000000 0.00000000 3.61213343 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PdZn
P4/mmm
123
tetragonal
4/mmm
14,352.033526
false
[CIF] data_TiBeSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42216677 _cell_length_b 4.42216677 _cell_length_c 4.42216677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeSnRh _chemical_formula_sum 'Ti1 Be1 Sn1 Rh1' _cell_volume 61.14913983 _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 Rh Rh1 1 3.12694411 3.12694411 3.12694411 1 Sn Sn2 1 4.69041617 4.69041617 4.69041617 1 Ti Ti3 1 1.56347206 1.56347206 1.56347206 1 [/CIF]
BeRhSnTi
F-43m
216
cubic
-43m
7,562.678733
false
[CIF] data_Al5Fe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02468656 _cell_length_b 5.02468656 _cell_length_c 6.06000000 _cell_angle_alpha 107.54840061 _cell_angle_beta 107.54840061 _cell_angle_gamma 50.47880364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Fe3 _chemical_formula_sum 'Al5 Fe3' _cell_volume 111.27250800 _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 4.04000000 0.00000000 1.42835570 1 Al Al1 1 1.51500000 0.00000000 2.14253355 1 Al Al2 1 5.55500000 0.00000000 3.57088924 1 Al Al3 1 3.03000000 0.00000000 4.28506709 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 Fe Fe5 1 -1.01000000 0.00000000 2.85671140 1 Fe Fe6 1 0.50500000 0.00000000 4.99924494 1 Fe Fe7 1 6.56500000 0.00000000 0.71417785 1 [/CIF]
Al5Fe3
C2/m
12
monoclinic
2/m
4,513.405118
false
[CIF] data_Ba2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07951002 _cell_length_b 5.07951002 _cell_length_c 4.26985749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CrOs _chemical_formula_sum 'Ba2 Cr1 Os1' _cell_volume 110.16839495 _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 2.53975501 0.00000000 2.13492874 1 Ba Ba1 1 0.00000000 2.53975501 2.13492874 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.53975501 2.53975501 0.00000000 1 [/CIF]
Ba2CrOs
P4/mmm
123
tetragonal
4/mmm
7,790.88792
false
[CIF] data_Cu3TeI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99370119 _cell_length_b 4.99370119 _cell_length_c 4.99370119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3TeI _chemical_formula_sum 'Cu3 Te1 I1' _cell_volume 124.52818413 _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 I I0 1 2.49685060 2.49685060 2.49685060 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 0.00000000 2.49685060 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 2.49685060 1 Cu Cu4 1 2.49685060 0.00000000 0.00000000 1 [/CIF]
Cu3ITe
Pm-3m
221
cubic
m-3m
5,935.816593
false
[CIF] data_SrGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34155073 _cell_length_b 5.34155073 _cell_length_c 5.34155073 _cell_angle_alpha 139.08011558 _cell_angle_beta 116.63350797 _cell_angle_gamma 78.23441044 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGa2Co _chemical_formula_sum 'Sr1 Ga2 Co1' _cell_volume 86.83597203 _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 Ga Ga1 1 0.00000000 2.80550445 2.62068029 1 Ga Ga2 1 1.86715204 -0.00000000 1.52359917 1 Sr Sr3 1 0.00000000 0.00000000 4.14427946 1 [/CIF]
CoGa2Sr
Immm
71
orthorhombic
mmm
5,469.079521
false
[CIF] data_LaYFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79943697 _cell_length_b 4.79943697 _cell_length_c 4.79943697 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYFeIr _chemical_formula_sum 'La1 Y1 Fe1 Ir1' _cell_volume 78.17283834 _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 Ir Ir1 1 1.69685722 1.69685722 1.69685722 1 La La2 1 3.39371443 3.39371443 3.39371443 1 Y Y3 1 5.09057165 5.09057165 5.09057165 1 [/CIF]
FeIrLaY
F-43m
216
cubic
-43m
10,108.450139
false
[CIF] data_LaScBePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91713142 _cell_length_b 4.91713142 _cell_length_c 4.91713142 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScBePt _chemical_formula_sum 'La1 Sc1 Be1 Pt1' _cell_volume 84.06601273 _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 La La1 1 5.21540546 5.21540546 5.21540546 1 Pt Pt2 1 3.47693697 3.47693697 3.47693697 1 Sc Sc3 1 1.73846849 1.73846849 1.73846849 1 [/CIF]
BeLaPtSc
F-43m
216
cubic
-43m
7,663.247849
false
[CIF] data_MgMnInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72000947 _cell_length_b 4.72000947 _cell_length_c 4.72000947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnInAg _chemical_formula_sum 'Mg1 Mn1 In1 Ag1' _cell_volume 74.35558773 _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 5.00632605 5.00632605 5.00632605 1 In In1 1 1.66877535 1.66877535 1.66877535 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.33755070 3.33755070 3.33755070 1 [/CIF]
AgInMgMn
F-43m
216
cubic
-43m
6,742.806049
false
[CIF] data_LaInIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91340986 _cell_length_b 4.91340986 _cell_length_c 4.91340986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInIrPt _chemical_formula_sum 'La1 In1 Ir1 Pt1' _cell_volume 83.87527961 _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 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 5.21145815 5.21145815 5.21145815 1 La La2 1 3.47430543 3.47430543 3.47430543 1 Pt Pt3 1 1.73715272 1.73715272 1.73715271 1 [/CIF]
InIrLaPt
F-43m
216
cubic
-43m
12,690.821182
false
[CIF] data_VBiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08875661 _cell_length_b 4.08875661 _cell_length_c 4.00894378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBiIr2 _chemical_formula_sum 'V1 Bi1 Ir2' _cell_volume 67.02124396 _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 2.04437830 2.04437830 0.00000000 1 Ir Ir1 1 2.04437830 0.00000000 2.00447189 1 Ir Ir2 1 0.00000000 2.04437830 2.00447189 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIr2V
P4/mmm
123
tetragonal
4/mmm
15,964.761046
false
[CIF] data_AgCF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21726288 _cell_length_b 4.21726288 _cell_length_c 4.21726288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgCF3 _chemical_formula_sum 'Ag1 C1 F3' _cell_volume 75.00531164 _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 2.10863144 2.10863144 2.10863144 1 C C1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 0.00000000 2.10863144 2.10863144 1 F F3 1 2.10863144 0.00000000 2.10863144 1 F F4 1 2.10863144 2.10863144 0.00000000 1 [/CIF]
CAgF3
Pm-3m
221
cubic
m-3m
3,915.807593
false
[CIF] data_BePdPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20663800 _cell_length_b 5.20663800 _cell_length_c 5.20663800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePdPt4 _chemical_formula_sum 'Be1 Pd1 Pt4' _cell_volume 99.80611581 _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 Pd Pd1 1 5.52247356 5.52247356 5.52247356 1 Pt Pt2 1 4.60261244 2.76068564 4.60261244 1 Pt Pt3 1 2.76068564 4.60261244 4.60261244 1 Pt Pt4 1 2.76068564 2.76068564 2.76068564 1 Pt Pt5 1 4.60261244 4.60261244 2.76068564 1 [/CIF]
BePdPt4
F-43m
216
cubic
-43m
14,903.476093
false
[CIF] data_TiSiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61744772 _cell_length_b 3.61744772 _cell_length_c 7.88719162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiBr2 _chemical_formula_sum 'Ti1 Si1 Br2' _cell_volume 103.21122200 _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 7.22862051 1 Br Br1 1 1.80872386 1.80872386 2.64029978 1 Si Si2 1 0.00000000 0.00000000 4.79499669 1 Ti Ti3 1 1.80872386 1.80872386 5.05406207 1 [/CIF]
Br2SiTi
P4mm
99
tetragonal
4mm
3,793.093408
false
[CIF] data_Ca2SeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29894678 _cell_length_b 5.29894678 _cell_length_c 5.29894678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SeCl _chemical_formula_sum 'Ca2 Se1 Cl1' _cell_volume 105.20918947 _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 3.74692120 3.74692120 3.74692120 1 Ca Ca1 1 1.87346060 1.87346060 1.87346060 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 5.62038180 5.62038180 5.62038180 1 [/CIF]
Ca2ClSe
F-43m
216
cubic
-43m
3,070.924007
false
[CIF] data_KBe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25087098 _cell_length_b 4.25087098 _cell_length_c 4.60576433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe2Br _chemical_formula_sum 'K1 Be2 Br1' _cell_volume 83.22571970 _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 2.12543549 2.30288217 1 Be Be1 1 2.12543549 0.00000000 2.30288217 1 Br Br2 1 2.12543549 2.12543549 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2BrK
P4/mmm
123
tetragonal
4/mmm
2,733.988118
false