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_Na2SrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94894789 _cell_length_b 4.94894789 _cell_length_c 5.75655071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SrCd _chemical_formula_sum 'Na2 Sr1 Cd1' _cell_volume 140.98993077 _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 2.47447395 2.47447395 0.00000000 1 Na Na1 1 2.47447395 0.00000000 2.87827536 1 Na Na2 1 0.00000000 2.47447395 2.87827536 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNa2Sr
P4/mmm
123
tetragonal
4/mmm
2,897.461247
false
[CIF] data_ScFe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46248954 _cell_length_b 3.58513519 _cell_length_c 5.39393514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFe2Cl _chemical_formula_sum 'Sc1 Fe2 Cl1' _cell_volume 66.95757661 _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 Fe Fe1 1 1.73124477 1.79256759 1.57335290 1 Fe Fe2 1 1.73124477 1.79256759 3.82058224 1 Sc Sc3 1 0.00000000 0.00000000 2.69696757 1 [/CIF]
ClFe2Sc
Pmmm
47
orthorhombic
mmm
4,764.027675
false
[CIF] data_InReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97264673 _cell_length_b 2.97264673 _cell_length_c 5.86077471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InReB2 _chemical_formula_sum 'In1 Re1 B2' _cell_volume 51.78948939 _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 1.48632337 1.48632337 3.85032556 1 B B1 1 1.48632337 1.48632337 2.01044915 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 2.93038736 1 [/CIF]
B2InRe
P4/mmm
123
tetragonal
4/mmm
10,345.111898
false
[CIF] data_Ti2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35746783 _cell_length_b 4.35746783 _cell_length_c 4.35746783 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VSi _chemical_formula_sum 'Ti2 V1 Si1' _cell_volume 58.50427073 _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 Si Si0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 1.54059752 1.54059753 1.54059753 1 Ti Ti2 1 4.62179258 4.62179258 4.62179258 1 V V3 1 3.08119505 3.08119505 3.08119505 1 [/CIF]
SiTi2V
Fm-3m
225
cubic
m-3m
4,960.278356
false
[CIF] data_HfTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37938759 _cell_length_b 8.04106497 _cell_length_c 5.69454409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTc _chemical_formula_sum 'Hf12 Tc12' _cell_volume 429.48402427 _cell_formula_units_Z 12 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 1.58226076 7.08270833 1.42363602 1 Hf Hf1 1 7.79712683 0.95835664 4.27090807 1 Hf Hf2 1 7.79712683 3.06217585 1.42363602 1 Hf Hf3 1 1.58226076 4.97888912 4.27090807 1 Hf Hf4 1 3.72897354 3.66028932 1.42363602 1 Hf Hf5 1 5.65041405 4.38077565 4.27090807 1 Hf Hf6 1 5.65041405 7.68082180 1.42363602 1 Hf Hf7 1 3.72897354 0.36024317 4.27090807 1 Hf Hf8 1 1.09688936 2.01026624 0.00000000 1 Hf Hf9 1 8.28249823 6.03079873 2.84727204 1 Hf Hf10 1 8.28249823 6.03079873 0.00000000 1 Hf Hf11 1 1.09688936 2.01026624 2.84727204 1 Tc Tc12 1 0.93385254 4.44447946 1.42363602 1 Tc Tc13 1 8.44553505 3.59658551 4.27090807 1 Tc Tc14 1 8.44553505 0.42394698 1.42363602 1 Tc Tc15 1 0.93385254 7.61711799 4.27090807 1 Tc Tc16 1 3.32590073 0.99147537 1.42363602 1 Tc Tc17 1 6.05348686 7.04958960 4.27090807 1 Tc Tc18 1 6.05348686 5.01200786 1.42363602 1 Tc Tc19 1 3.32590073 3.02905711 4.27090807 1 Tc Tc20 1 5.72592328 2.01026624 0.00000000 1 Tc Tc21 1 3.65346431 6.03079873 2.84727204 1 Tc Tc22 1 3.65346431 6.03079873 0.00000000 1 Tc Tc23 1 5.72592328 2.01026624 2.84727204 1 [/CIF]
Hf12Tc12
Pbcm
57
orthorhombic
mmm
12,870.156774
false
[CIF] data_TlIn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27456380 _cell_length_b 5.32954136 _cell_length_c 6.70625816 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.42178444 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIn2Sb _chemical_formula_sum 'Tl1 In2 Sb1' _cell_volume 116.05657979 _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 3.20630192 0.00000000 0.11554257 1 In In1 1 2.11133313 2.66477068 1.68692772 1 Sb Sb2 1 1.37274824 0.00000000 3.19117431 1 Tl Tl3 1 0.19662869 2.66477068 4.98146638 1 [/CIF]
In2SbTl
Pm
6
monoclinic
m
7,952.097518
false
[CIF] data_OsPdPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44166100 _cell_length_b 4.44166100 _cell_length_c 4.44166100 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPdPtW _chemical_formula_sum 'Os1 Pd1 Pt1 W1' _cell_volume 61.96140082 _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 1.57036431 1.57036431 1.57036431 1 Pd Pd1 1 0.00000000 -0.00000000 0.00000000 1 Pt Pt2 1 4.71109292 4.71109292 4.71109292 1 W W3 1 3.14072861 3.14072861 3.14072861 1 [/CIF]
OsPdPtW
F-43m
216
cubic
-43m
18,105.094535
false
[CIF] data_Ba5Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37019042 _cell_length_b 7.37019042 _cell_length_c 6.81746279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Sc _chemical_formula_sum 'Ba5 Sc1' _cell_volume 320.70876234 _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 5.03338908 0.00000000 3.40873140 1 Ba Ba1 1 1.16840067 2.02372933 3.40873140 1 Ba Ba2 1 -2.51669454 4.35904281 3.40873140 1 Ba Ba3 1 3.68509521 2.12759071 0.00000000 1 Ba Ba4 1 0.00000000 4.25518143 0.00000000 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba5Sc
P-62m
189
hexagonal
-6m2
3,787.970375
false
[CIF] data_TiBePdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37674118 _cell_length_b 4.37674118 _cell_length_c 4.37674118 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBePdAu _chemical_formula_sum 'Ti1 Be1 Pd1 Au1' _cell_volume 59.28401367 _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 1.54741168 1.54741168 1.54741169 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.09482337 3.09482337 3.09482337 1 Ti Ti3 1 4.64223505 4.64223505 4.64223505 1 [/CIF]
AuBePdTi
F-43m
216
cubic
-43m
10,091.006274
false
[CIF] data_NaLi2Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54211032 _cell_length_b 3.54211032 _cell_length_c 8.50224442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2Y _chemical_formula_sum 'Na1 Li2 Y1' _cell_volume 106.67379663 _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 1.77105516 1.77105516 6.45100330 1 Li Li1 1 1.77105516 1.77105516 2.05124112 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 4.25112221 1 [/CIF]
Li2NaY
P4/mmm
123
tetragonal
4/mmm
1,957.918975
false
[CIF] data_Gd2TcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17208871 _cell_length_b 5.17208871 _cell_length_c 5.17208871 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2TcBi _chemical_formula_sum 'Gd2 Tc1 Bi1' _cell_volume 97.83244281 _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 3.65721900 3.65721900 3.65721900 1 Gd Gd1 1 1.82860950 1.82860950 1.82860950 1 Gd Gd2 1 5.48582850 5.48582850 5.48582850 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGd2Tc
Fm-3m
225
cubic
m-3m
10,563.952347
false
[CIF] data_Pd2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31226817 _cell_length_b 3.31226817 _cell_length_c 6.93034467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.30571200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2PbAu _chemical_formula_sum 'Pd2 Pb1 Au1' _cell_volume 75.90713161 _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 0.00000000 3.70751519 1 Pb Pb1 1 2.27359700 0.00000000 1.60064439 1 Pd Pd2 1 0.00000000 0.00000000 6.78625587 1 Pd Pd3 1 2.27359700 0.00000000 5.23144621 1 [/CIF]
AuPbPd2
Cmm2
35
orthorhombic
mm2
13,497.592261
false
[CIF] data_CrSiHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46957279 _cell_length_b 4.46957279 _cell_length_c 4.46957279 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiHgW _chemical_formula_sum 'Cr1 Si1 Hg1 W1' _cell_volume 63.13686977 _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 Si Si0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 4.74069785 4.74069785 4.74069785 1 W W2 1 3.16046523 3.16046523 3.16046523 1 Hg Hg3 1 1.58023262 1.58023262 1.58023262 1 [/CIF]
CrHgSiW
F-43m
216
cubic
-43m
12,216.944893
false
[CIF] data_K2BiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37144612 _cell_length_b 4.45269812 _cell_length_c 6.66514266 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.08506195 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BiP _chemical_formula_sum 'K2 Bi1 P1' _cell_volume 146.64786992 _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 2.39866742 2.22634906 1.57283614 1 K K1 1 5.07844535 0.00000000 0.54853826 1 K K2 1 -0.32364144 2.22634906 3.95256657 1 P P3 1 2.35506738 0.00000000 3.12319368 1 [/CIF]
BiK2P
Pm
6
monoclinic
m
3,602.519216
false
[CIF] data_YbU2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99986578 _cell_length_b 4.99986578 _cell_length_c 4.99986578 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbU2Mo _chemical_formula_sum 'Yb1 U2 Mo1' _cell_volume 88.38122989 _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 U U1 1 5.30315850 5.30315850 5.30315850 1 U U2 1 1.76771950 1.76771950 1.76771950 1 Yb Yb3 1 3.53543900 3.53543900 3.53543900 1 [/CIF]
MoU2Yb
Fm-3m
225
cubic
m-3m
13,998.683499
false
[CIF] data_ZrCrMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47265121 _cell_length_b 4.47265121 _cell_length_c 4.47265121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrMo2 _chemical_formula_sum 'Zr1 Cr1 Mo2' _cell_volume 63.26741611 _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 Mo Mo1 1 4.74396300 4.74396300 4.74396300 1 Mo Mo2 1 1.58132100 1.58132100 1.58132100 1 Zr Zr3 1 3.16264200 3.16264200 3.16264200 1 [/CIF]
CrMo2Zr
Fm-3m
225
cubic
m-3m
8,796.206057
false
[CIF] data_LaZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83966370 _cell_length_b 4.83966370 _cell_length_c 4.83966370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrOs2 _chemical_formula_sum 'La1 Zr1 Os2' _cell_volume 80.15498824 _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 3.42215902 3.42215902 3.42215902 1 Os Os1 1 1.71107951 1.71107951 1.71107951 1 Os Os2 1 5.13323853 5.13323853 5.13323853 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaOs2Zr
Fm-3m
225
cubic
m-3m
12,649.339621
false
[CIF] data_Ti2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13870138 _cell_length_b 3.64056843 _cell_length_c 5.99943400 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.84341669 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2GaSe _chemical_formula_sum 'Ti2 Ga1 Se1' _cell_volume 66.56221974 _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 Se Se1 1 -0.71774013 0.00000000 2.91258497 1 Ti Ti2 1 0.37810032 1.82028422 4.36479488 1 Ti Ti3 1 1.32512081 1.82028422 1.46037505 1 [/CIF]
GaSeTi2
P2/m
10
monoclinic
2/m
6,097.512653
false
[CIF] data_Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66077988 _cell_length_b 3.66077988 _cell_length_c 3.66077988 _cell_angle_alpha 98.01625165 _cell_angle_beta 98.01625165 _cell_angle_gamma 136.14471508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh _chemical_formula_sum Rh2 _cell_volume 31.53119285 _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 Rh Rh0 1 -0.00000000 2.40129584 0.68353235 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh2
I4_1/amd
141
tetragonal
4/mmm
10,838.702091
false
[CIF] data_AgSn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24813534 _cell_length_b 5.18279229 _cell_length_c 4.65596572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSn2Ru _chemical_formula_sum 'Ag1 Sn2 Ru1' _cell_volume 78.38043962 _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 1.62406767 2.59139615 2.30197464 1 Ru Ru1 1 0.00000000 0.00000000 1.14051931 1 Sn Sn2 1 0.00000000 2.59139615 0.04106208 1 Sn Sn3 1 1.62406767 0.00000000 3.50039256 1 [/CIF]
AgRuSn2
Pmm2
25
orthorhombic
mm2
9,456.380265
false
[CIF] data_Al5Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76236997 _cell_length_b 7.60341070 _cell_length_c 7.60341070 _cell_angle_alpha 21.75390855 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Ge _chemical_formula_sum 'Al5 Ge1' _cell_volume 102.03985100 _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 14.93252271 1 Al Al1 1 0.00000000 -0.00000000 9.97308533 1 Al Al2 1 0.00000000 -0.00000000 4.96888529 1 Al Al3 1 2.38118499 -0.00000000 8.31340289 1 Al Al4 1 2.38118499 -0.00000000 3.30245808 1 Ge Ge5 1 2.38118499 -0.00000000 13.26627485 1 [/CIF]
Al5Ge
Amm2
38
orthorhombic
mm2
3,377.514266
false
[CIF] data_HfGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01796088 _cell_length_b 5.01796088 _cell_length_c 3.07734290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.78446728 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGe3 _chemical_formula_sum 'Hf1 Ge3' _cell_volume 74.18615581 _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 1.49618957 -2.01405055 1.53867145 1 Ge Ge1 1 1.49618957 2.01405056 1.53867145 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 2.99237913 0.00000000 0.00000000 1 [/CIF]
Ge3Hf
Cmmm
65
orthorhombic
mmm
8,873.007156
false
[CIF] data_HfTlCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71846613 _cell_length_b 4.71846613 _cell_length_c 4.71846613 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlCuAg _chemical_formula_sum 'Hf1 Tl1 Cu1 Ag1' _cell_volume 74.28267403 _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 3.33645940 3.33645940 3.33645940 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.00468910 5.00468910 5.00468910 1 Tl Tl3 1 1.66822970 1.66822970 1.66822970 1 [/CIF]
AgCuHfTl
F-43m
216
cubic
-43m
12,390.723139
false
[CIF] data_AgHgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84869870 _cell_length_b 4.84869870 _cell_length_c 4.84869870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgCl _chemical_formula_sum 'Ag1 Hg1 Cl1' _cell_volume 80.60474253 _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 5.14282160 5.14282160 5.14282160 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.42854773 3.42854773 3.42854773 1 [/CIF]
AgClHg
F-43m
216
cubic
-43m
7,084.917898
false
[CIF] data_MgCr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91354913 _cell_length_b 4.91354913 _cell_length_c 4.91354913 _cell_angle_alpha 143.25152070 _cell_angle_beta 129.07520080 _cell_angle_gamma 64.43025055 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr2Si _chemical_formula_sum 'Mg1 Cr2 Si1' _cell_volume 54.40597128 _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 4.26039487 1 Cr Cr1 1 0.00000000 2.11242657 1.88285152 1 Mg Mg2 1 0.00000000 0.00000000 8.26247758 1 Si Si3 1 1.54886069 0.00000000 2.22275755 1 [/CIF]
Cr2MgSi
Imm2
44
orthorhombic
mm2
4,772.998111
false
[CIF] data_MnRe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43356448 _cell_length_b 4.43356448 _cell_length_c 4.43356448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2Au _chemical_formula_sum 'Mn1 Re2 Au1' _cell_volume 61.62317773 _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 4.70250527 4.70250527 4.70250527 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.56750176 1.56750176 1.56750176 1 Re Re3 1 3.13500351 3.13500351 3.13500351 1 [/CIF]
AuMnRe2
F-43m
216
cubic
-43m
16,823.303937
false
[CIF] data_As3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77109536 _cell_length_b 4.77109536 _cell_length_c 4.77109536 _cell_angle_alpha 126.74598444 _cell_angle_beta 126.74598444 _cell_angle_gamma 78.66548175 _symmetry_Int_Tables_number 1 _chemical_formula_structural As3Ir _chemical_formula_sum 'As3 Ir1' _cell_volume 67.49448423 _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 2.13831200 0.00000000 1.84516900 1 As As1 1 0.00000000 2.13831200 1.84516900 1 As As2 1 -0.00000000 0.00000000 -0.00000000 1 Ir Ir3 1 0.00000000 -0.00000000 3.69033800 1 [/CIF]
As3Ir
I4/mmm
139
tetragonal
4/mmm
10,258.831917
false
[CIF] data_Ta2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10813803 _cell_length_b 9.10813803 _cell_length_c 9.10813803 _cell_angle_alpha 20.93120582 _cell_angle_beta 20.93120582 _cell_angle_gamma 20.93120582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2GaTe _chemical_formula_sum 'Ta2 Ga1 Te1' _cell_volume 84.44185537 _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 6.93353616 1 Ta Ta1 1 0.00000000 -0.00000000 0.08515491 1 Ta Ta2 1 -0.00000000 -0.00000000 19.93951322 1 Te Te3 1 -0.00000000 0.00000000 13.11670832 1 [/CIF]
GaTa2Te
R3m
160
trigonal
3m
10,996.970554
false
[CIF] data_ScTeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97443471 _cell_length_b 4.97443471 _cell_length_c 3.57675764 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTeSe2 _chemical_formula_sum 'Sc1 Te1 Se2' _cell_volume 88.50687025 _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 Se Se1 1 0.00000000 2.48721735 1.78837882 1 Se Se2 1 2.48721735 0.00000000 1.78837882 1 Te Te3 1 2.48721735 2.48721735 0.00000000 1 [/CIF]
ScSe2Te
P4/mmm
123
tetragonal
4/mmm
6,200.288869
false
[CIF] data_Ta2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24448625 _cell_length_b 5.24448625 _cell_length_c 5.24448625 _cell_angle_alpha 134.15261254 _cell_angle_beta 134.15261254 _cell_angle_gamma 66.84973830 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2InGa _chemical_formula_sum 'Ta2 In1 Ga1' _cell_volume 73.05964976 _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 In In1 1 0.00000000 0.00000000 4.37709463 1 Ta Ta2 1 0.00000000 2.04275287 2.18854732 1 Ta Ta3 1 2.04275287 0.00000000 2.18854732 1 [/CIF]
GaInTa2
I4/mmm
139
tetragonal
4/mmm
12,419.70897
false
[CIF] data_Na2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30312115 _cell_length_b 5.30312115 _cell_length_c 5.30312115 _cell_angle_alpha 136.73523399 _cell_angle_beta 136.73523399 _cell_angle_gamma 62.84567699 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PPd _chemical_formula_sum 'Na2 P1 Pd1' _cell_volume 69.18417330 _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 -0.00000000 1.95499558 2.26269079 1 Na Na1 1 1.95499558 -0.00000000 2.26269079 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 -0.00000000 4.52538158 1 [/CIF]
Na2PPd
I4/mmm
139
tetragonal
4/mmm
4,401.274379
false
[CIF] data_CdCuSiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63690864 _cell_length_b 4.63690864 _cell_length_c 4.63690864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCuSiGe _chemical_formula_sum 'Cd1 Cu1 Si1 Ge1' _cell_volume 70.49699715 _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 1.63939477 1.63939477 1.63939477 1 Cu Cu1 1 3.27878954 3.27878954 3.27878954 1 Ge Ge2 1 4.91818431 4.91818431 4.91818431 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuGeSi
F-43m
216
cubic
-43m
6,517.186814
false
[CIF] data_Sr2MnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45990241 _cell_length_b 5.45990241 _cell_length_c 5.45990241 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnGe _chemical_formula_sum 'Sr2 Mn1 Ge1' _cell_volume 115.09054402 _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 3.86073402 3.86073402 3.86073402 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.93036701 1.93036701 1.93036701 1 Sr Sr3 1 5.79110103 5.79110103 5.79110103 1 [/CIF]
GeMnSr2
Fm-3m
225
cubic
m-3m
4,369.092291
false
[CIF] data_Li2CaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59113714 _cell_length_b 4.87648735 _cell_length_c 6.10537025 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.20026509 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaSn _chemical_formula_sum 'Li2 Ca1 Sn1' _cell_volume 102.67260658 _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 -0.19258448 0.00000000 4.07309126 1 Li Li1 1 3.39267007 2.43824368 0.42206682 1 Li Li2 1 1.62707806 0.00000000 1.43035008 1 Sn Sn3 1 1.59562247 2.43824368 2.86890277 1 [/CIF]
CaLi2Sn
Pm
6
monoclinic
m
2,792.617137
false
[CIF] data_Sn2P2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10098548 _cell_length_b 6.10098548 _cell_length_c 5.12617144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2P2Rh _chemical_formula_sum 'Sn4 P4 Rh2' _cell_volume 190.80647548 _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 P P0 1 2.27522813 5.32572087 0.00000000 1 P P1 1 3.82575735 0.77526461 0.00000000 1 P P2 1 0.77526461 2.27522813 0.00000000 1 P P3 1 5.32572087 3.82575735 0.00000000 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 Rh Rh5 1 3.05049274 3.05049274 0.00000000 1 Sn Sn6 1 1.17578906 4.22628180 2.56308572 1 Sn Sn7 1 4.92519642 1.87470368 2.56308572 1 Sn Sn8 1 1.87470368 1.17578906 2.56308572 1 Sn Sn9 1 4.22628180 4.92519642 2.56308572 1 [/CIF]
P4Rh2Sn4
P4/mbm
127
tetragonal
4/mmm
7,001.754737
false
[CIF] data_TlBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81421825 _cell_length_b 4.81421825 _cell_length_c 4.81421825 _cell_angle_alpha 132.49853293 _cell_angle_beta 132.49853293 _cell_angle_gamma 69.44277885 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBOs2 _chemical_formula_sum 'Tl1 B1 Os2' _cell_volume 59.50619118 _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 Os Os1 1 1.93896688 -0.00000000 1.97847872 1 Os Os2 1 0.00000000 -0.00000000 3.95695745 1 Tl Tl3 1 0.00000000 1.93896688 1.97847872 1 [/CIF]
BOs2Tl
I-4m2
119
tetragonal
-42m
16,621.921445
false
[CIF] data_AlB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78702180 _cell_length_b 3.78702180 _cell_length_c 2.96728047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlB2W _chemical_formula_sum 'Al1 B2 W1' _cell_volume 42.55535409 _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 B B1 1 0.00000000 1.89351090 1.48364023 1 B B2 1 1.89351090 0.00000000 1.48364023 1 W W3 1 1.89351090 1.89351090 0.00000000 1 [/CIF]
AlB2W
P4/mmm
123
tetragonal
4/mmm
9,070.106099
false
[CIF] data_LaRuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97758307 _cell_length_b 4.97758307 _cell_length_c 4.97758307 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRuSe2 _chemical_formula_sum 'La1 Ru1 Se2' _cell_volume 87.20483265 _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 3.51968275 3.51968275 3.51968275 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.75984137 1.75984137 1.75984137 1 Se Se3 1 5.27952412 5.27952412 5.27952412 1 [/CIF]
LaRuSe2
Fm-3m
225
cubic
m-3m
7,576.660972
false
[CIF] data_TeP9W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67574552 _cell_length_b 6.88458689 _cell_length_c 9.97251738 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.73780663 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeP9W _chemical_formula_sum 'Te2 P18 W2' _cell_volume 492.84762695 _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 P P0 1 -0.35344935 1.72114672 9.02706609 1 P P1 1 4.49800605 5.16344017 0.29933774 1 P P2 1 0.12168645 1.72114672 6.82208571 1 P P3 1 4.02287025 5.16344017 2.50431812 1 P P4 1 -0.36900162 1.72114672 2.95206823 1 P P5 1 4.51355832 5.16344017 6.37433560 1 P P6 1 5.85608914 0.04820471 0.18320862 1 P P7 1 -1.71153244 3.49049815 9.14319521 1 P P8 1 -1.71153244 6.83638218 9.14319521 1 P P9 1 5.85608914 3.39408874 0.18320862 1 P P10 1 -2.24446399 0.10038788 7.02286621 1 P P11 1 6.38902069 3.54268132 2.30353762 1 P P12 1 6.38902069 6.78419901 2.30353762 1 P P13 1 -2.24446399 3.34190557 7.02286621 1 P P14 1 2.80674722 0.17249608 2.46388630 1 P P15 1 1.33780948 3.61478952 6.86251754 1 P P16 1 1.33780948 6.71209081 6.86251754 1 P P17 1 2.80674722 3.26979737 2.46388630 1 Te Te18 1 3.78579014 1.72114672 4.32381324 1 Te Te19 1 0.35876656 5.16344017 5.00259059 1 W W20 1 4.71918703 1.72114672 1.66789135 1 W W21 1 -0.57463033 5.16344017 7.65851249 1 [/CIF]
P18Te2W2
P2_1/m
11
monoclinic
2/m
3,977.117916
false
[CIF] data_MgSb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17555967 _cell_length_b 5.17555967 _cell_length_c 5.17555967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2Se _chemical_formula_sum 'Mg1 Sb2 Se1' _cell_volume 98.02953950 _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 0.00000000 0.00000000 1 Sb Sb1 1 3.65967334 3.65967334 3.65967334 1 Sb Sb2 1 5.48951001 5.48951001 5.48951001 1 Se Se3 1 1.82983667 1.82983667 1.82983667 1 [/CIF]
MgSb2Se
F-43m
216
cubic
-43m
5,874.250181
false
[CIF] data_EuTm2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36082541 _cell_length_b 5.36082541 _cell_length_c 5.36082541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuTm2Sb _chemical_formula_sum 'Eu1 Tm2 Sb1' _cell_volume 108.93814918 _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 3.79067600 3.79067600 3.79067600 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Tm Tm2 1 1.89533800 1.89533800 1.89533800 1 Tm Tm3 1 5.68601400 5.68601400 5.68601400 1 [/CIF]
EuSbTm2
Fm-3m
225
cubic
m-3m
9,322.474394
false
[CIF] data_Mn2ReAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95890659 _cell_length_b 2.95890659 _cell_length_c 6.74050426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReAg _chemical_formula_sum 'Mn2 Re1 Ag1' _cell_volume 59.01397879 _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 Mn Mn1 1 1.47945329 1.47945329 1.83823076 1 Mn Mn2 1 1.47945329 1.47945329 4.90227350 1 Re Re3 1 0.00000000 0.00000000 3.37025213 1 [/CIF]
AgMn2Re
P4/mmm
123
tetragonal
4/mmm
11,366.939019
false
[CIF] data_InAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51538956 _cell_length_b 7.51538956 _cell_length_c 7.51538956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAs _chemical_formula_sum 'In8 As8' _cell_volume 424.47732076 _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 As As0 1 4.78365830 4.78365830 4.78365830 1 As As1 1 6.48942604 1.02596352 4.78365830 1 As As2 1 1.02596352 4.78365830 6.48942604 1 As As3 1 2.73173126 1.02596352 6.48942604 1 As As4 1 4.78365830 6.48942604 1.02596352 1 As As5 1 6.48942604 2.73173126 1.02596352 1 As As6 1 1.02596352 6.48942604 2.73173126 1 As As7 1 2.73173126 2.73173126 2.73173126 1 In In8 1 2.55426228 6.31195706 4.96112728 1 In In9 1 1.20343250 2.55426228 4.96112728 1 In In10 1 6.31195706 6.31195706 6.31195706 1 In In11 1 4.96112728 2.55426228 6.31195706 1 In In12 1 2.55426228 4.96112728 1.20343250 1 In In13 1 1.20343250 1.20343250 1.20343250 1 In In14 1 6.31195706 4.96112728 2.55426228 1 In In15 1 4.96112728 1.20343250 2.55426228 1 [/CIF]
As8In8
Pa-3
205
cubic
m-3
5,938.032547
false
[CIF] data_Nd2Fe15Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43274100 _cell_length_b 6.43274100 _cell_length_c 6.43274100 _cell_angle_alpha 81.82047591 _cell_angle_beta 81.82047591 _cell_angle_gamma 81.82047591 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Fe15Si2 _chemical_formula_sum 'Nd2 Fe15 Si2' _cell_volume 258.76869592 _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 Nd Nd0 1 0.00000000 0.00000000 8.26150947 1 Nd Nd1 1 -0.00000000 0.00000000 4.36642354 1 Fe Fe2 1 -2.10632341 1.21608639 2.10465550 1 Fe Fe3 1 0.00000000 -2.43217277 2.10465550 1 Fe Fe4 1 2.10632341 1.21608639 2.10465550 1 Fe Fe5 1 1.20641358 -2.77477593 4.20931100 1 Fe Fe6 1 1.79981965 2.43217277 4.20931100 1 Fe Fe7 1 -3.00623323 0.34260315 4.20931100 1 Fe Fe8 1 -1.79981965 2.43217277 4.20931100 1 Fe Fe9 1 -1.20641358 -2.77477593 4.20931100 1 Fe Fe10 1 3.00623323 0.34260315 4.20931100 1 Fe Fe11 1 -2.13501153 1.23264948 6.40197899 1 Fe Fe12 1 -0.00000000 -2.46529897 6.40197899 1 Fe Fe13 1 2.13501153 1.23264948 6.40197899 1 Fe Fe14 1 2.13501153 -1.23264948 6.22595402 1 Fe Fe15 1 0.00000000 2.46529897 6.22595402 1 Fe Fe16 1 -2.13501153 -1.23264948 6.22595402 1 Si Si17 1 -0.00000000 0.00000000 11.34290192 1 Si Si18 1 -0.00000000 0.00000000 1.28503109 1 [/CIF]
Fe15Nd2Si2
R-3m
166
trigonal
-3m
7,587.104345
false
[CIF] data_TlAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13343656 _cell_length_b 3.13343656 _cell_length_c 8.76868619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAs2Pt _chemical_formula_sum 'Tl1 As2 Pt1' _cell_volume 86.09468486 _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 1.56671828 1.56671828 7.17327837 1 As As1 1 1.56671828 1.56671828 1.59540782 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.38434310 1 [/CIF]
As2PtTl
P4/mmm
123
tetragonal
4/mmm
10,594.748635
false
[CIF] data_ScTl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97596994 _cell_length_b 4.97596994 _cell_length_c 4.97596994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTl2Pt _chemical_formula_sum 'Sc1 Tl2 Pt1' _cell_volume 87.12007636 _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 Pt Pt0 1 1.75927104 1.75927105 1.75927105 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.27781314 5.27781314 5.27781314 1 Tl Tl3 1 3.51854209 3.51854209 3.51854209 1 [/CIF]
PtScTl2
F-43m
216
cubic
-43m
12,366.478599
false
[CIF] data_Ti2PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48383810 _cell_length_b 4.48383810 _cell_length_c 3.15355616 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2PBr _chemical_formula_sum 'Ti2 P1 Br1' _cell_volume 63.40162884 _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 2.24191905 2.24191905 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 2.24191905 1.57677808 1 Ti Ti3 1 2.24191905 0.00000000 1.57677808 1 [/CIF]
BrPTi2
P4/mmm
123
tetragonal
4/mmm
5,411.326313
false
[CIF] data_RePd4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08864148 _cell_length_b 5.08864148 _cell_length_c 5.08864148 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePd4Ru _chemical_formula_sum 'Re1 Pd4 Ru1' _cell_volume 93.17310408 _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 4.49647537 4.49647537 2.69995043 1 Pd Pd1 1 4.49647537 2.69995043 4.49647537 1 Pd Pd2 1 2.69995043 4.49647537 4.49647537 1 Pd Pd3 1 2.69995043 2.69995043 2.69995043 1 Re Re4 1 5.39731935 5.39731935 5.39731935 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd4ReRu
F-43m
216
cubic
-43m
12,706.380914
false
[CIF] data_KLaScCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35823323 _cell_length_b 5.35823323 _cell_length_c 5.35823323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaScCu _chemical_formula_sum 'K1 La1 Sc1 Cu1' _cell_volume 108.78019716 _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 1.89442153 1.89442153 1.89442152 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 La La2 1 5.68326457 5.68326458 5.68326457 1 Sc Sc3 1 3.78884305 3.78884305 3.78884305 1 [/CIF]
CuKLaSc
F-43m
216
cubic
-43m
4,373.53388
false
[CIF] data_TiBeSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58741991 _cell_length_b 4.58741991 _cell_length_c 4.58741991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeSnAu _chemical_formula_sum 'Ti1 Be1 Sn1 Au1' _cell_volume 68.26380452 _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 1.62189786 1.62189786 1.62189787 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.86569359 4.86569359 4.86569359 1 Ti Ti3 1 3.24379573 3.24379573 3.24379573 1 [/CIF]
AuBeSnTi
F-43m
216
cubic
-43m
9,062.538828
false
[CIF] data_SiBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32485509 _cell_length_b 3.32485509 _cell_length_c 8.12234668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2Rh _chemical_formula_sum 'Si1 Bi2 Rh1' _cell_volume 89.78979207 _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 1.66242754 1.66242754 7.58153087 1 Bi Bi1 1 0.00000000 0.00000000 2.55374247 1 Rh Rh2 1 1.66242754 1.66242754 4.62453581 1 Si Si3 1 0.00000000 0.00000000 5.54605747 1 [/CIF]
Bi2RhSi
P4mm
99
tetragonal
4mm
10,152.110708
false
[CIF] data_Ca2CrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27588970 _cell_length_b 3.27588970 _cell_length_c 8.47335426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CrAu _chemical_formula_sum 'Ca2 Cr1 Au1' _cell_volume 90.93140576 _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 0.00000000 4.23667713 1 Ca Ca1 1 1.63794485 1.63794485 6.34220653 1 Ca Ca2 1 1.63794485 1.63794485 2.13114773 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa2Cr
P4/mmm
123
tetragonal
4/mmm
6,010.183202
false
[CIF] data_Dy6FeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32861374 _cell_length_b 8.32861374 _cell_length_c 3.97500600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy6FeTe2 _chemical_formula_sum 'Dy6 Fe1 Te2' _cell_volume 238.78875004 _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 Dy Dy0 1 5.02131289 0.00000000 0.00000000 1 Dy Dy1 1 1.65365042 2.86420655 0.00000000 1 Dy Dy2 1 -2.51065645 4.34858453 0.00000000 1 Dy Dy3 1 -0.98054435 1.69835264 1.98750300 1 Dy Dy4 1 3.18376252 5.51443844 1.98750300 1 Dy Dy5 1 1.96108871 0.00000000 1.98750300 1 Fe Fe6 1 0.00000000 0.00000000 0.00000000 1 Te Te7 1 0.00000000 4.80852738 1.98750300 1 Te Te8 1 4.16430687 2.40426369 1.98750300 1 [/CIF]
Dy6FeTe2
P-62m
189
hexagonal
-6m2
8,943.168046
false
[CIF] data_SrAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24134115 _cell_length_b 3.24134115 _cell_length_c 7.40002580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAs2Os _chemical_formula_sum 'Sr1 As2 Os1' _cell_volume 77.74683520 _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 1.62067057 1.62067057 2.25411113 1 As As1 1 1.62067057 1.62067057 5.14591467 1 Os Os2 1 0.00000000 0.00000000 3.70001290 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2OsSr
P4/mmm
123
tetragonal
4/mmm
9,134.793272
false
[CIF] data_Zr2TaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86260363 _cell_length_b 4.86260363 _cell_length_c 4.86260363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaNb _chemical_formula_sum 'Zr2 Ta1 Nb1' _cell_volume 81.30019957 _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 Ta Ta1 1 3.43838000 3.43838000 3.43838000 1 Zr Zr2 1 5.15757000 5.15757000 5.15757000 1 Zr Zr3 1 1.71919000 1.71919000 1.71919000 1 [/CIF]
NbTaZr2
Fm-3m
225
cubic
m-3m
9,319.875387
false
[CIF] data_BaB2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08323112 _cell_length_b 3.08323112 _cell_length_c 7.19820861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.93488932 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaB2P _chemical_formula_sum 'Ba1 B2 P1' _cell_volume 66.69206553 _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 1.92072723 0.00000000 0.01149827 1 B B1 1 0.00000000 0.00000000 5.30406120 1 Ba Ba2 1 1.92072723 0.00000000 3.48332565 1 P P3 1 0.00000000 0.00000000 1.99842779 1 [/CIF]
B2BaP
Cmm2
35
orthorhombic
mm2
4,728.810893
false
[CIF] data_TiAlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62090462 _cell_length_b 3.46637547 _cell_length_c 8.36605774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlSi _chemical_formula_sum 'Ti4 Al4 Si4' _cell_volume 192.00555422 _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 Al Al0 1 3.00178097 0.86659387 6.80887003 1 Al Al1 1 0.30867134 2.59978160 2.62584116 1 Al Al2 1 3.61912365 2.59978160 1.55718771 1 Al Al3 1 6.31223328 0.86659387 5.74021658 1 Si Si4 1 5.07307086 0.86659387 3.30253693 1 Si Si5 1 4.85828607 2.59978160 7.48556580 1 Si Si6 1 1.54783376 2.59978160 5.06352081 1 Si Si7 1 1.76261855 0.86659387 0.88049194 1 Ti Ti8 1 5.77024676 0.86659387 0.80765461 1 Ti Ti9 1 4.16111017 2.59978160 4.99068348 1 Ti Ti10 1 0.85065786 2.59978160 7.55840313 1 Ti Ti11 1 2.45979445 0.86659387 3.37537426 1 [/CIF]
Al4Si4Ti4
Pnma
62
orthorhombic
mmm
3,560.855165
false
[CIF] data_V2CrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39159231 _cell_length_b 4.39159231 _cell_length_c 4.39159231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CrIn _chemical_formula_sum 'V2 Cr1 In1' _cell_volume 59.88954986 _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 In In1 1 3.10532470 3.10532470 3.10532470 1 V V2 1 4.65798705 4.65798705 4.65798705 1 V V3 1 1.55266235 1.55266235 1.55266235 1 [/CIF]
CrInV2
Fm-3m
225
cubic
m-3m
7,450.08157
false
[CIF] data_Sr2ScV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84246294 _cell_length_b 4.84246294 _cell_length_c 5.18966076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScV _chemical_formula_sum 'Sr2 Sc1 V1' _cell_volume 121.69467663 _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 Sr Sr1 1 0.00000000 2.42123147 2.59483038 1 Sr Sr2 1 2.42123147 0.00000000 2.59483038 1 V V3 1 2.42123147 2.42123147 0.00000000 1 [/CIF]
ScSr2V
P4/mmm
123
tetragonal
4/mmm
3,699.703861
false
[CIF] data_HfMgIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55171299 _cell_length_b 4.55171299 _cell_length_c 4.55171299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgIrRu _chemical_formula_sum 'Hf1 Mg1 Ir1 Ru1' _cell_volume 66.68215253 _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 4.82782068 4.82782068 4.82782068 1 Ir Ir1 1 3.21854712 3.21854712 3.21854712 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.60927356 1.60927356 1.60927356 1 [/CIF]
HfIrMgRu
F-43m
216
cubic
-43m
12,353.58353
false
[CIF] data_VTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52497272 _cell_length_b 7.52497272 _cell_length_c 9.20851706 _cell_angle_alpha 110.76928313 _cell_angle_beta 110.76928313 _cell_angle_gamma 27.42621024 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTe2 _chemical_formula_sum 'V3 Te6' _cell_volume 223.60438416 _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 Te Te0 1 1.90135189 -0.00000000 8.44171654 1 Te Te1 1 12.14026576 -0.00000000 5.96483513 1 Te Te2 1 8.28880548 -0.00000000 5.28333493 1 Te Te3 1 2.97093569 -0.00000000 3.28982618 1 Te Te4 1 -0.88052459 -0.00000000 2.60832597 1 Te Te5 1 9.35838929 -0.00000000 0.13144456 1 V V6 1 0.00000000 0.00000000 0.00000000 1 V V7 1 2.89468607 -0.00000000 6.08482313 1 V V8 1 8.36505510 0.00000000 2.48833798 1 [/CIF]
Te6V3
C2/m
12
monoclinic
2/m
6,820.437657
false
[CIF] data_HfAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56554521 _cell_length_b 4.56554521 _cell_length_c 4.56554521 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAl2V _chemical_formula_sum 'Hf1 Al2 V1' _cell_volume 67.29192407 _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 4.84249197 4.84249197 4.84249197 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 1.61416399 1.61416399 1.61416399 1 V V3 1 3.22832798 3.22832798 3.22832798 1 [/CIF]
Al2HfV
F-43m
216
cubic
-43m
6,993.227987
false
[CIF] data_BeSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32098129 _cell_length_b 4.32098129 _cell_length_c 4.32098129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSbMo _chemical_formula_sum 'Be1 Sb1 Mo1' _cell_volume 57.04691440 _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 Mo Mo1 1 3.05539517 3.05539517 3.05539517 1 Sb Sb2 1 1.52769759 1.52769759 1.52769758 1 [/CIF]
BeMoSb
F-43m
216
cubic
-43m
6,599.789836
false
[CIF] data_TlPt2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60077600 _cell_length_b 5.60077600 _cell_length_c 5.60077600 _cell_angle_alpha 149.06659614 _cell_angle_beta 120.40163734 _cell_angle_gamma 68.66478637 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPt2Se _chemical_formula_sum 'Tl1 Pt2 Se1' _cell_volume 76.90936418 _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 Pt Pt0 1 1.49360546 0.00000000 2.20030645 1 Pt Pt1 1 -0.00000000 2.78337039 2.42469991 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.62500636 1 [/CIF]
Pt2SeTl
Immm
71
orthorhombic
mmm
14,541.686015
false
[CIF] data_Ca2ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77560988 _cell_length_b 4.77560988 _cell_length_c 4.77560988 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ReIr _chemical_formula_sum 'Ca2 Re1 Ir1' _cell_volume 77.01432782 _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 1.68843307 1.68843307 1.68843307 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 5.06529920 5.06529920 5.06529920 1 Re Re3 1 3.37686613 3.37686613 3.37686613 1 [/CIF]
Ca2IrRe
F-43m
216
cubic
-43m
9,887.738756
false
[CIF] data_SbTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29002591 _cell_length_b 5.29002591 _cell_length_c 7.00290776 _cell_angle_alpha 112.91853465 _cell_angle_beta 112.91853465 _cell_angle_gamma 43.31513700 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTe2Pd _chemical_formula_sum 'Sb1 Te2 Pd1' _cell_volume 122.06858639 _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 2.52632275 -0.00000000 3.93218160 1 Sb Sb1 1 -0.23477042 -0.00000000 4.04103767 1 Te Te2 1 -2.43022558 0.00000000 5.92727991 1 Te Te3 1 7.55286100 0.00000000 1.99585383 1 [/CIF]
PdSbTe2
Cm
8
monoclinic
m
6,575.576877
false
[CIF] data_MgCoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62311061 _cell_length_b 6.36479491 _cell_length_c 7.37926855 _cell_angle_alpha 83.13869959 _cell_angle_beta 87.16537853 _cell_angle_gamma 71.97839846 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoP2O7 _chemical_formula_sum 'Mg2 Co2 P4 O14' _cell_volume 249.32620382 _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 Mg Mg0 1 3.41164881 4.51230636 4.81513177 1 Mg Mg1 1 4.54550281 2.34856160 2.51064692 1 Co Co2 1 1.80112751 1.14686330 1.54245735 1 Co Co3 1 6.15602412 5.71400466 5.78332133 1 P P4 1 2.43344351 4.21677712 0.70216124 1 P P5 1 5.52370812 2.64409084 6.62361745 1 P P6 1 1.90150904 1.70542489 4.48859983 1 P P7 1 6.05564259 5.15544306 2.83717885 1 O O8 1 2.31714622 4.91633456 6.57682770 1 O O9 1 5.64000541 1.94453340 0.74895098 1 O O10 1 3.41900602 5.33972746 0.95324131 1 O O11 1 4.53814561 1.52114049 6.37253737 1 O O12 1 2.92401998 2.84352564 1.23154764 1 O O13 1 5.03313164 4.01734231 6.09423104 1 O O14 1 4.87492352 4.24215903 3.17023439 1 O O15 1 3.08222810 2.61870893 4.15554429 1 O O16 1 0.87475292 1.67190703 3.32470576 1 O O17 1 7.08239871 5.18896093 4.00107293 1 O O18 1 1.25400075 2.36855630 5.78700620 1 O O19 1 6.70315088 4.49231166 1.53877249 1 O O20 1 3.67082999 0.51340953 2.41562790 1 O O21 1 4.28632164 6.34745843 4.91015078 1 [/CIF]
Co4Mg4O28P8
P-1
2
triclinic
-1
3,425.712604
false
[CIF] data_ScBe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20841437 _cell_length_b 4.20841437 _cell_length_c 3.33445192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBe2Ag _chemical_formula_sum 'Sc1 Be2 Ag1' _cell_volume 59.05564938 _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 2.10420718 2.10420718 0.00000000 1 Be Be1 1 2.10420718 0.00000000 1.66722596 1 Be Be2 1 0.00000000 2.10420718 1.66722596 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBe2Sc
P4/mmm
123
tetragonal
4/mmm
4,803.956665
false
[CIF] data_CdGeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87052086 _cell_length_b 4.87052086 _cell_length_c 4.87052086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGeCl _chemical_formula_sum 'Cd1 Ge1 Cl1' _cell_volume 81.69796259 _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 3.44397833 3.44397833 3.44397833 1 Cl Cl1 1 0.00000000 -0.00000000 0.00000000 1 Ge Ge2 1 1.72198917 1.72198917 1.72198917 1 [/CIF]
CdClGe
F-43m
216
cubic
-43m
4,481.81931
false
[CIF] data_MgAsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27248428 _cell_length_b 3.27248428 _cell_length_c 7.93426457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsCl2 _chemical_formula_sum 'Mg1 As1 Cl2' _cell_volume 84.96925610 _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 1.63624214 1.63624214 5.85173093 1 Cl Cl1 1 0.00000000 0.00000000 7.51986483 1 Cl Cl2 1 1.63624214 1.63624214 2.57949646 1 Mg Mg3 1 0.00000000 0.00000000 3.88456920 1 [/CIF]
AsCl2Mg
P4mm
99
tetragonal
4mm
3,324.871157
false
[CIF] data_CsBa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17167183 _cell_length_b 6.17167183 _cell_length_c 6.17167183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBa2Ni _chemical_formula_sum 'Cs1 Ba2 Ni1' _cell_volume 166.22390339 _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 6.54604650 6.54604650 6.54604650 1 Ba Ba1 1 2.18201550 2.18201550 2.18201550 1 Cs Cs2 1 4.36403100 4.36403100 4.36403100 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CsNi
Fm-3m
225
cubic
m-3m
4,657.760164
false
[CIF] data_LaCdHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29511593 _cell_length_b 5.29511593 _cell_length_c 5.29511593 _cell_angle_alpha 120.97169291 _cell_angle_beta 120.97169291 _cell_angle_gamma 88.32506002 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdHg2 _chemical_formula_sum 'La1 Cd1 Hg2' _cell_volume 103.39135081 _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 Hg Hg1 1 2.60857821 -0.00000000 1.89926908 1 Hg Hg2 1 0.00000000 -0.00000000 3.79853816 1 La La3 1 0.00000000 2.60857821 1.89926908 1 [/CIF]
CdHg2La
I-4m2
119
tetragonal
-42m
10,479.560145
false
[CIF] data_NbHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52008134 _cell_length_b 4.52008134 _cell_length_c 2.97887672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbHgRu _chemical_formula_sum 'Nb1 Hg1 Ru1' _cell_volume 52.70789387 _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 2.26004069 1.30483508 2.94489009 1 Nb Nb1 1 0.00000000 0.00000000 1.25839951 1 Ru Ru2 1 0.00000002 2.60967017 1.75446384 1 [/CIF]
HgNbRu
P3m1
156
trigonal
3m
12,430.640659
false
[CIF] data_In2TeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98322073 _cell_length_b 3.98322073 _cell_length_c 6.95155923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TeP _chemical_formula_sum 'In2 Te1 P1' _cell_volume 110.29376786 _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 6.73495761 1 In In1 1 1.99161036 1.99161036 2.58443839 1 P P2 1 0.00000000 0.00000000 2.35906154 1 Te Te3 1 1.99161036 1.99161036 5.70044054 1 [/CIF]
In2PTe
P4mm
99
tetragonal
4mm
5,844.734544
false
[CIF] data_TiGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11894003 _cell_length_b 4.11894003 _cell_length_c 3.86324808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2Ag _chemical_formula_sum 'Ti1 Ga2 Ag1' _cell_volume 65.54258035 _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 2.05947002 2.05947002 0.00000000 1 Ga Ga1 1 2.05947002 0.00000000 1.93162404 1 Ga Ga2 1 0.00000000 2.05947002 1.93162404 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Ti
P4/mmm
123
tetragonal
4/mmm
7,478.495837
false
[CIF] data_Sr2MnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05530079 _cell_length_b 4.05530079 _cell_length_c 7.79128269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.73698607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnTe _chemical_formula_sum 'Sr2 Mn1 Te1' _cell_volume 127.98509830 _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 Sr Sr1 1 2.79822917 0.00000000 1.96252867 1 Sr Sr2 1 2.79822917 0.00000000 5.82875402 1 Te Te3 1 0.00000000 0.00000000 3.89564135 1 [/CIF]
MnSr2Te
Cmmm
65
orthorhombic
mmm
4,641.981205
false
[CIF] data_Mn2FeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61214348 _cell_length_b 4.61214348 _cell_length_c 4.61214348 _cell_angle_alpha 144.55761270 _cell_angle_beta 130.33414975 _cell_angle_gamma 62.48742648 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2FeP _chemical_formula_sum 'Mn2 Fe1 P1' _cell_volume 42.89084481 _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 1.40386927 0.00000000 2.13942798 1 Mn Mn1 1 -0.00000000 0.00000000 7.88422916 1 Mn Mn2 1 -0.00000000 1.93697882 1.83445309 1 P P3 1 -0.00000000 0.00000000 3.91484464 1 [/CIF]
FeMn2P
Imm2
44
orthorhombic
mm2
7,615.132958
false
[CIF] data_GeRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40523152 _cell_length_b 5.40523152 _cell_length_c 5.40523152 _cell_angle_alpha 148.18705703 _cell_angle_beta 131.19734901 _cell_angle_gamma 59.44080516 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeRh2Au _chemical_formula_sum 'Ge1 Rh2 Au1' _cell_volume 62.11411636 _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 2.23303896 0.20702945 1 Ge Ge1 1 -0.00000000 -0.00000000 7.14253203 1 Rh Rh2 1 -0.00000000 2.23303896 4.41958733 1 Rh Rh3 1 -0.00000000 -0.00000000 2.31345260 1 [/CIF]
AuGeRh2
Imm2
44
orthorhombic
mm2
12,709.662353
false
[CIF] data_OsRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84227367 _cell_length_b 3.70649992 _cell_length_c 5.74254360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsRu2Se _chemical_formula_sum 'Os1 Ru2 Se1' _cell_volume 60.49704867 _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 1.42113683 1.85324996 4.53452909 1 Ru Ru1 1 0.00000000 0.00000000 5.69957060 1 Ru Ru2 1 1.42113683 1.85324996 1.54239702 1 Se Se3 1 0.00000000 0.00000000 2.57986223 1 [/CIF]
OsRu2Se
Pmm2
25
orthorhombic
mm2
12,937.191078
false
[CIF] data_YBeFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65367527 _cell_length_b 4.65367527 _cell_length_c 4.65367527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeFe3 _chemical_formula_sum 'Y1 Be1 Fe3' _cell_volume 100.78321906 _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 2.32683763 2.32683763 2.32683763 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 2.32683763 0.00000000 2.32683763 1 Fe Fe3 1 2.32683763 2.32683763 0.00000000 1 Fe Fe4 1 0.00000000 2.32683763 2.32683763 1 [/CIF]
BeFe3Y
Pm-3m
221
cubic
m-3m
4,373.695682
false
[CIF] data_MgTlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09343096 _cell_length_b 3.09343096 _cell_length_c 7.18174361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlTc _chemical_formula_sum 'Mg1 Tl1 Tc1' _cell_volume 59.51704833 _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 0.00000000 0.18513135 1 Tc Tc1 1 0.00000000 1.78599320 2.32439875 1 Tl Tl2 1 1.54671548 0.89299660 4.67221351 1 [/CIF]
MgTcTl
P3m1
156
trigonal
3m
9,139.960413
false
[CIF] data_GeC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08524498 _cell_length_b 4.08524498 _cell_length_c 4.08524498 _cell_angle_alpha 124.79385704 _cell_angle_beta 124.79385704 _cell_angle_gamma 81.87975442 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeC2 _chemical_formula_sum 'Ge1 C2' _cell_volume 44.22788094 _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 3.72214840 1 C C1 1 0.00000000 -0.00000000 2.44982006 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C4Ge2
I4/mmm
139
tetragonal
4/mmm
3,629.160464
false
[CIF] data_TiNbFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28296314 _cell_length_b 4.28296314 _cell_length_c 4.28296314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbFeSi _chemical_formula_sum 'Ti1 Nb1 Fe1 Si1' _cell_volume 55.55434253 _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 Ti Ti0 1 3.02851228 3.02851228 3.02851228 1 Fe Fe1 1 1.51425614 1.51425614 1.51425614 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 4.54276842 4.54276842 4.54276842 1 [/CIF]
FeNbSiTi
F-43m
216
cubic
-43m
6,716.478932
false
[CIF] data_KInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68904074 _cell_length_b 6.68904074 _cell_length_c 6.68904074 _cell_angle_alpha 151.71306481 _cell_angle_beta 143.75308176 _cell_angle_gamma 46.60202415 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInRh _chemical_formula_sum 'K1 In1 Rh1' _cell_volume 83.57331591 _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 11.43910923 1 K K1 1 0.00000000 0.00000000 8.16245718 1 Rh Rh2 1 0.00000000 -0.00000000 4.97234771 1 [/CIF]
InKRh
Imm2
44
orthorhombic
mm2
5,102.856425
false
[CIF] data_ScBeAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39861784 _cell_length_b 4.39861784 _cell_length_c 4.39861784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeAlPt _chemical_formula_sum 'Sc1 Be1 Al1 Pt1' _cell_volume 60.17743813 _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 1.55514625 1.55514625 1.55514625 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.11029250 3.11029250 3.11029250 1 Sc Sc3 1 4.66543875 4.66543875 4.66543875 1 [/CIF]
AlBePtSc
F-43m
216
cubic
-43m
7,616.885079
false
[CIF] data_SrLaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81739627 _cell_length_b 5.81739627 _cell_length_c 6.41825659 _cell_angle_alpha 115.85162008 _cell_angle_beta 115.85162008 _cell_angle_gamma 38.67445590 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaW2 _chemical_formula_sum 'Sr1 La1 W2' _cell_volume 120.36979687 _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 4.00623820 0.00000000 2.84592483 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 7.17287797 -0.00000000 2.16791603 1 W W3 1 0.83959844 0.00000000 3.52393364 1 [/CIF]
LaSrW2
C2/m
12
monoclinic
2/m
8,197.250657
false
[CIF] data_TcBiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88665375 _cell_length_b 3.73034343 _cell_length_c 6.66692076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBiOs2 _chemical_formula_sum 'Tc1 Bi1 Os2' _cell_volume 71.79080180 _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 3.33346038 1 Os Os1 1 1.44332687 1.86517172 5.37035054 1 Os Os2 1 1.44332687 1.86517172 1.29657022 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiOs2Tc
Pmmm
47
orthorhombic
mmm
15,921.627729
false
[CIF] data_BaY2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35522170 _cell_length_b 5.35522170 _cell_length_c 5.35522170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Mn _chemical_formula_sum 'Ba1 Y2 Mn1' _cell_volume 108.59688474 _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 3.78671358 3.78671358 3.78671358 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.68007037 5.68007037 5.68007037 1 Y Y3 1 1.89335679 1.89335679 1.89335679 1 [/CIF]
BaMnY2
Fm-3m
225
cubic
m-3m
5,658.789331
false
[CIF] data_CaHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30416234 _cell_length_b 4.30416234 _cell_length_c 3.52549839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgB2 _chemical_formula_sum 'Ca1 Hg1 B2' _cell_volume 65.31272564 _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 2.15208117 0.00000000 1.76274920 1 B B1 1 0.00000000 2.15208117 1.76274920 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.15208117 2.15208117 0.00000000 1 [/CIF]
B2CaHg
P4/mmm
123
tetragonal
4/mmm
6,668.634339
false
[CIF] data_Na3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62917676 _cell_length_b 4.62917676 _cell_length_c 4.42225209 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Pd _chemical_formula_sum 'Na3 Pd1' _cell_volume 94.76566710 _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 2.31458838 0.00000000 2.21112604 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 0.00000000 2.31458838 2.21112604 1 Pd Pd3 1 2.31458838 2.31458838 0.00000000 1 [/CIF]
Na3Pd
P4/mmm
123
tetragonal
4/mmm
3,073.273332
false
[CIF] data_KZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52468626 _cell_length_b 6.52468626 _cell_length_c 20.45994676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZr2 _chemical_formula_sum 'K8 Zr16' _cell_volume 754.31787221 _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 K K0 1 0.00000000 0.00000000 12.20083688 1 K K1 1 0.00000000 0.00000000 8.25910988 1 K K2 1 0.00000000 0.00000000 1.97086350 1 K K3 1 0.00000000 0.00000000 18.48908326 1 K K4 1 0.00000000 3.76702937 6.98803957 1 K K5 1 3.26234313 1.88351468 13.47190719 1 K K6 1 3.26234313 1.88351468 17.21801295 1 K K7 1 -0.00000000 3.76702937 3.24193381 1 Zr Zr8 1 0.00000000 3.76702937 12.79813290 1 Zr Zr9 1 3.26234313 1.88351468 7.66181386 1 Zr Zr10 1 3.26234313 1.88351468 2.56815952 1 Zr Zr11 1 -0.00000000 3.76702937 17.89178724 1 Zr Zr12 1 1.63117156 2.82527203 10.22997338 1 Zr Zr13 1 3.26234313 0.00000000 10.22997338 1 Zr Zr14 1 -1.63117156 2.82527203 10.22997338 1 Zr Zr15 1 1.63117156 2.82527203 0.00000000 1 Zr Zr16 1 3.26234313 0.00000000 0.00000000 1 Zr Zr17 1 -1.63117156 2.82527203 0.00000000 1 Zr Zr18 1 -1.43443262 4.59519943 15.34496007 1 Zr Zr19 1 -0.00000000 2.11068925 15.34496007 1 Zr Zr20 1 1.43443262 4.59519943 15.34496007 1 Zr Zr21 1 4.69677575 1.05534463 5.11498669 1 Zr Zr22 1 3.26234313 3.53985480 5.11498669 1 Zr Zr23 1 1.82791051 1.05534463 5.11498669 1 [/CIF]
K8Zr16
P6_3/mmc
194
hexagonal
6/mmm
3,901.657906
false
[CIF] data_CaCdTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60771925 _cell_length_b 5.60771925 _cell_length_c 5.60771925 _cell_angle_alpha 126.03599991 _cell_angle_beta 122.57221822 _cell_angle_gamma 82.72362040 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdTe2 _chemical_formula_sum 'Ca1 Cd1 Te2' _cell_volume 115.40216155 _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 Cd Cd1 1 0.00000000 0.00000000 4.20888317 1 Te Te2 1 -0.00000000 2.69415099 1.85176676 1 Te Te3 1 2.54428144 0.00000000 2.35711641 1 [/CIF]
CaCdTe2
Immm
71
orthorhombic
mmm
5,866.298364
false
[CIF] data_MnZnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71496718 _cell_length_b 4.71496718 _cell_length_c 3.77925707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnSb2 _chemical_formula_sum 'Mn1 Zn1 Sb2' _cell_volume 84.01634461 _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 Sb Sb1 1 0.00000000 2.35748359 1.88962853 1 Sb Sb2 1 2.35748359 0.00000000 1.88962853 1 Zn Zn3 1 2.35748359 2.35748359 0.00000000 1 [/CIF]
MnSb2Zn
P4/mmm
123
tetragonal
4/mmm
7,191.068481
false
[CIF] data_BaNaHfIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12438080 _cell_length_b 5.12438080 _cell_length_c 5.12438080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaHfIr _chemical_formula_sum 'Ba1 Na1 Hf1 Ir1' _cell_volume 95.15008640 _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 3.62348441 3.62348441 3.62348441 1 Hf Hf1 1 1.81174221 1.81174221 1.81174221 1 Ir Ir2 1 5.43522662 5.43522662 5.43522662 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHfIrNa
F-43m
216
cubic
-43m
9,267.313857
false
[CIF] data_YMg3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18562318 _cell_length_b 5.18562318 _cell_length_c 5.18562318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg3Hg _chemical_formula_sum 'Y1 Mg3 Hg1' _cell_volume 139.44497380 _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 Mg Mg1 1 2.59281159 0.00000000 2.59281159 1 Mg Mg2 1 2.59281159 2.59281159 0.00000000 1 Mg Mg3 1 0.00000000 2.59281159 2.59281159 1 Hg Hg4 1 2.59281159 2.59281159 2.59281159 1 [/CIF]
HgMg3Y
Pm-3m
221
cubic
m-3m
4,315.662
false
[CIF] data_BaY2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76780428 _cell_length_b 6.76780428 _cell_length_c 6.76780428 _cell_angle_alpha 148.24379963 _cell_angle_beta 131.74090801 _cell_angle_gamma 58.93176417 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Ni _chemical_formula_sum 'Ba1 Y2 Ni1' _cell_volume 120.74278757 _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 1.85161439 0.00000000 5.27495148 1 Ni Ni1 1 0.00000000 -0.00000000 2.73425485 1 Y Y2 1 1.85161439 0.00000000 0.79335305 1 Y Y3 1 0.00000000 -0.00000000 8.87458194 1 [/CIF]
BaNiY2
Imm2
44
orthorhombic
mm2
5,141.199892
false
[CIF] data_Mn2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36833340 _cell_length_b 4.36833340 _cell_length_c 4.36833340 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PtRh _chemical_formula_sum 'Mn2 Pt1 Rh1' _cell_volume 58.94301307 _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 1.54443908 1.54443908 1.54443908 1 Mn Mn1 1 4.63331725 4.63331725 4.63331725 1 Pt Pt2 1 3.08887817 3.08887817 3.08887817 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2PtRh
Fm-3m
225
cubic
m-3m
11,490.365199
false
[CIF] data_LiScTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13651041 _cell_length_b 5.13651041 _cell_length_c 5.13651041 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTl2 _chemical_formula_sum 'Li1 Sc1 Tl2' _cell_volume 95.82735899 _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 Sc Sc1 1 5.44809201 5.44809201 5.44809201 1 Tl Tl2 1 3.63206134 3.63206134 3.63206134 1 Tl Tl3 1 1.81603067 1.81603067 1.81603067 1 [/CIF]
LiScTl2
F-43m
216
cubic
-43m
7,982.582076
false
[CIF] data_Na2CoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02065691 _cell_length_b 3.02065691 _cell_length_c 8.43330463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CoSi _chemical_formula_sum 'Na2 Co1 Si1' _cell_volume 76.94857632 _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 1.51032846 1.51032846 5.73698132 1 Na Na1 1 0.00000000 0.00000000 7.92066226 1 Na Na2 1 1.51032846 1.51032846 2.60457621 1 Si Si3 1 0.00000000 0.00000000 4.82104179 1 [/CIF]
CoNa2Si
P4mm
99
tetragonal
4mm
2,870.082504
false
[CIF] data_BiAs2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19693235 _cell_length_b 3.19693235 _cell_length_c 8.13823731 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiAs2Ir _chemical_formula_sum 'Bi1 As2 Ir1' _cell_volume 83.17584895 _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 1.59846617 1.59846617 1.45333700 1 As As1 1 1.59846617 1.59846617 6.68490031 1 Bi Bi2 1 0.00000000 0.00000000 4.06911865 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BiIr
P4/mmm
123
tetragonal
4/mmm
11,001.229381
false