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_Li2ScCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40346883 _cell_length_b 5.40346883 _cell_length_c 5.40346883 _cell_angle_alpha 141.06670883 _cell_angle_beta 141.06670883 _cell_angle_gamma 56.23717800 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScCo _chemical_formula_sum 'Li2 Sc1 Co1' _cell_volume 61.81516355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76571904 1 Li Li1 1 -0.00000000 1.80074948 2.38285952 1 Li Li2 1 1.80074948 0.00000000 2.38285952 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLi2Sc
I4/mmm
139
tetragonal
4/mmm
3,163.682062
false
[CIF] data_AlTlInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82765551 _cell_length_b 4.82765551 _cell_length_c 4.82765551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlInRh _chemical_formula_sum 'Al1 Tl1 In1 Rh1' _cell_volume 79.55982510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.12050193 5.12050193 5.12050193 1 Rh Rh2 1 3.41366795 3.41366795 3.41366795 1 Tl Tl3 1 1.70683397 1.70683397 1.70683397 1 [/CIF]
AlInRhTl
F-43m
216
cubic
-43m
9,373.182126
false
[CIF] data_KIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.02625724 _cell_length_b 10.02625724 _cell_length_c 10.02625724 _cell_angle_alpha 18.02735735 _cell_angle_beta 18.02735735 _cell_angle_gamma 18.02735735 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIr2Pb _chemical_formula_sum 'K1 Ir2 Pb1' _cell_volume 84.28585802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 -0.00000000 7.08731213 1 Ir Ir1 1 0.00000000 0.00000000 22.49516478 1 K K2 1 -0.00000000 -0.00000000 -0.00000000 1 Pb Pb3 1 -0.00000000 -0.00000000 14.79123846 1 [/CIF]
Ir2KPb
R-3m
166
trigonal
-3m
12,426.231983
false
[CIF] data_YSnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81443719 _cell_length_b 5.81443719 _cell_length_c 5.81443719 _cell_angle_alpha 139.87439972 _cell_angle_beta 139.87439972 _cell_angle_gamma 58.04405438 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnSb _chemical_formula_sum 'Y1 Sn1 Sb1' _cell_volume 80.91412049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 0.09502881 1 Sn Sn1 1 0.00000000 -0.00000000 3.35606283 1 Y Y2 1 0.00000000 0.00000000 6.71758288 1 [/CIF]
SbSnY
I4mm
107
tetragonal
4mm
6,759.530515
false
[CIF] data_K2GaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60639508 _cell_length_b 6.60639508 _cell_length_c 6.60639508 _cell_angle_alpha 135.43737505 _cell_angle_beta 135.43737505 _cell_angle_gamma 64.85137203 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GaPb _chemical_formula_sum 'K2 Ga1 Pb1' _cell_volume 139.95012541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.50484359 -0.00000000 2.78818817 1 K K2 1 -0.00000000 2.50484359 2.78818817 1 Pb Pb3 1 0.00000000 -0.00000000 5.57637634 1 [/CIF]
GaK2Pb
I4/mmm
139
tetragonal
4/mmm
4,213.572281
false
[CIF] data_Si2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55407075 _cell_length_b 3.51476316 _cell_length_c 5.63330960 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.53966367 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiHg _chemical_formula_sum 'Si2 Ni1 Hg1' _cell_volume 67.79735999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.08337884 1.75738158 2.40861913 1 Ni Ni1 1 2.90894379 0.00000000 1.10590969 1 Si Si2 1 1.47009389 1.75738158 5.00154775 1 Si Si3 1 -0.35022476 0.00000000 5.05238651 1 [/CIF]
HgNiSi2
Pm
6
monoclinic
m
7,726.323784
false
[CIF] data_KSrBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75323632 _cell_length_b 3.75323632 _cell_length_c 10.23137795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrBi2 _chemical_formula_sum 'K1 Sr1 Bi2' _cell_volume 144.12719968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87661816 1.87661816 7.55926810 1 Bi Bi1 1 1.87661816 1.87661816 2.67210985 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 5.11568898 1 [/CIF]
Bi2KSr
P4/mmm
123
tetragonal
4/mmm
6,275.435354
false
[CIF] data_TiCr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99552521 _cell_length_b 2.99552521 _cell_length_c 7.49169064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.98908497 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCr2Br _chemical_formula_sum 'Ti1 Cr2 Br1' _cell_volume 67.21420688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09979487 -0.00000000 5.27004978 1 Cr Cr1 1 0.00000000 0.00000000 0.68557495 1 Cr Cr2 1 2.09979487 -0.00000000 1.79470589 1 Ti Ti3 1 0.00000000 0.00000000 3.48720534 1 [/CIF]
BrCr2Ti
Cmm2
35
orthorhombic
mm2
5,725.751529
false
[CIF] data_K2ZrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46341277 _cell_length_b 6.46341277 _cell_length_c 3.71036518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZrBr _chemical_formula_sum 'K2 Zr1 Br1' _cell_volume 155.00311985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 K K1 1 0.00000000 3.23170638 1.85518259 1 K K2 1 3.23170638 0.00000000 1.85518259 1 Zr Zr3 1 3.23170638 3.23170638 0.00000000 1 [/CIF]
BrK2Zr
P4/mmm
123
tetragonal
4/mmm
2,670.99939
false
[CIF] data_GaCoPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31923110 _cell_length_b 4.31923110 _cell_length_c 4.31923110 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoPdW _chemical_formula_sum 'Ga1 Co1 Pd1 W1' _cell_volume 56.97762291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58123640 4.58123640 4.58123640 1 Pd Pd2 1 3.05415760 3.05415760 3.05415760 1 W W3 1 1.52707880 1.52707880 1.52707880 1 [/CIF]
CoGaPdW
F-43m
216
cubic
-43m
12,208.770248
false
[CIF] data_HfSn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.38592829 _cell_length_b 11.38592829 _cell_length_c 11.38592829 _cell_angle_alpha 16.64339056 _cell_angle_beta 16.64339056 _cell_angle_gamma 16.64339056 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSn2Pb _chemical_formula_sum 'Hf1 Sn2 Pb1' _cell_volume 105.60081340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 16.83870212 1 Sn Sn2 1 -0.00000000 -0.00000000 24.96303574 1 Sn Sn3 1 -0.00000000 0.00000000 8.71436849 1 [/CIF]
HfPbSn2
R-3m
166
trigonal
-3m
9,798.205736
false
[CIF] data_YZrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33899772 _cell_length_b 3.33899772 _cell_length_c 7.53605646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrAg _chemical_formula_sum 'Y1 Zr1 Ag1' _cell_volume 72.76240085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66949888 0.96388561 7.47090959 1 Y Y1 1 0.00000000 0.00000000 2.47586117 1 Zr Zr2 1 0.00000002 1.92777122 5.12534223 1 [/CIF]
AgYZr
P3m1
156
trigonal
3m
6,572.51558
false
[CIF] data_NaMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75323179 _cell_length_b 3.75323179 _cell_length_c 4.55772290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMo2Rh _chemical_formula_sum 'Na1 Mo2 Rh1' _cell_volume 64.20349791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87661590 0.00000000 2.27886145 1 Mo Mo1 1 0.00000000 1.87661590 2.27886145 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.87661590 1.87661590 0.00000000 1 [/CIF]
Mo2NaRh
P4/mmm
123
tetragonal
4/mmm
8,219.874116
false
[CIF] data_HfBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08062377 _cell_length_b 5.08062377 _cell_length_c 2.85128831 _cell_angle_alpha 105.57276042 _cell_angle_beta 105.57276042 _cell_angle_gamma 115.07749769 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBOs2 _chemical_formula_sum 'Hf1 B1 Os2' _cell_volume 57.72376178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.72691865 -0.00000000 0.00000000 1 Os Os2 1 0.65037872 -2.14339990 1.23449476 1 Os Os3 1 0.65037872 2.14339990 1.23449476 1 [/CIF]
BHfOs2
C2/m
12
monoclinic
2/m
16,390.310852
false
[CIF] data_YCoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53469945 _cell_length_b 4.53469945 _cell_length_c 4.53469945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCoW2 _chemical_formula_sum 'Y1 Co1 W2' _cell_volume 65.93720383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 4.80977510 4.80977510 4.80977510 1 W W2 1 1.60325837 1.60325837 1.60325837 1 Y Y3 1 3.20651673 3.20651673 3.20651673 1 [/CIF]
CoW2Y
Fm-3m
225
cubic
m-3m
12,982.648097
false
[CIF] data_LiCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30139546 _cell_length_b 4.30139546 _cell_length_c 4.30139546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoAs2 _chemical_formula_sum 'Li1 Co1 As2' _cell_volume 56.27469097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52077295 1.52077295 1.52077295 1 As As1 1 4.56231885 4.56231885 4.56231885 1 Co Co2 1 3.04154590 3.04154590 3.04154590 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CoLi
Fm-3m
225
cubic
m-3m
6,365.591599
false
[CIF] data_BaCdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45804679 _cell_length_b 4.15040346 _cell_length_c 7.79906649 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.33146925 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdAs2 _chemical_formula_sum 'Ba1 Cd1 As2' _cell_volume 110.75314229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85574254 2.07520173 1.74811158 1 As As1 1 -0.52777789 2.07520173 5.96864632 1 Ba Ba2 1 1.16398232 0.00000000 3.85837895 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BaCd
P2/m
10
monoclinic
2/m
5,990.983002
false
[CIF] data_ReAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06333806 _cell_length_b 5.06333806 _cell_length_c 5.06333806 _cell_angle_alpha 109.24817777 _cell_angle_beta 109.24817777 _cell_angle_gamma 109.91823326 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAs2 _chemical_formula_sum 'Re2 As4' _cell_volume 99.92382231 _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 0.90160331 2.02975761 0.00000000 1 As As1 1 2.02975761 0.90160331 2.90717021 1 As As2 1 3.83296423 0.90160331 -0.00000000 1 As As3 1 -0.90160331 2.02975761 2.90717021 1 Re Re4 1 -0.00000000 0.00000000 4.36075532 1 Re Re5 1 0.00000000 0.00000000 1.45358511 1 [/CIF]
As4Re2
I4/mcm
140
tetragonal
4/mmm
11,168.997994
false
[CIF] data_InNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67404200 _cell_length_b 3.67404200 _cell_length_c 3.67404200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiO3 _chemical_formula_sum 'In1 Ni1 O3' _cell_volume 49.59436683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83702100 1.83702100 1.83702100 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 1.83702100 0.00000000 1 O O3 1 1.83702100 0.00000000 0.00000000 1 O O4 1 0.00000000 0.00000000 1.83702100 1 [/CIF]
InNiO3
Pm-3m
221
cubic
m-3m
7,416.681422
false
[CIF] data_Na2SrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71618074 _cell_length_b 5.71618074 _cell_length_c 5.71618074 _cell_angle_alpha 129.75728562 _cell_angle_beta 129.75728562 _cell_angle_gamma 73.79508257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SrTc _chemical_formula_sum 'Na2 Sr1 Tc1' _cell_volume 107.68162227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Na Na1 1 2.42672992 -0.00000000 2.28564466 1 Sr Sr2 1 0.00000000 0.00000000 4.57128932 1 Tc Tc3 1 0.00000000 2.42672992 2.28564466 1 [/CIF]
Na2SrTc
I-4m2
119
tetragonal
-42m
3,585.429472
false
[CIF] data_Cd2GaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21292083 _cell_length_b 10.21292083 _cell_length_c 10.21292083 _cell_angle_alpha 16.50102926 _cell_angle_beta 16.50102926 _cell_angle_gamma 16.50102926 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GaIr _chemical_formula_sum 'Cd2 Ga1 Ir1' _cell_volume 74.93899984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.34349455 1 Cd Cd1 1 -0.00000000 0.00000000 22.87171745 1 Ga Ga2 1 -0.00000000 -0.00000000 -0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 15.10760600 1 [/CIF]
Cd2GaIr
R-3m
166
trigonal
-3m
10,785.936811
false
[CIF] data_Zr2ZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86769089 _cell_length_b 7.86769089 _cell_length_c 7.86769089 _cell_angle_alpha 152.74810746 _cell_angle_beta 152.74810746 _cell_angle_gamma 38.92181184 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnW2 _chemical_formula_sum 'Zr2 Zn1 W2' _cell_volume 101.93851982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 0.00000000 1.85348824 3.70910106 1 W W1 1 1.85348824 0.00000000 3.70910106 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 -0.00000000 0.00000000 8.85052550 1 Zr Zr4 1 0.00000000 0.00000000 5.98587874 1 [/CIF]
W2ZnZr2
I4/mmm
139
tetragonal
4/mmm
10,026.387293
false
[CIF] data_HgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95543768 _cell_length_b 2.95543768 _cell_length_c 4.01513879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr _chemical_formula_sum 'Hg1 Ir1' _cell_volume 35.07067890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47771884 1.47771884 2.00756939 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIr
P4/mmm
123
tetragonal
4/mmm
18,598.766539
false
[CIF] data_Ba2FeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02666591 _cell_length_b 4.02666591 _cell_length_c 8.99966814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.22202351 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2FeSb _chemical_formula_sum 'Ba2 Fe1 Sb1' _cell_volume 139.37854374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.44119019 1 Ba Ba1 1 2.38887666 0.00000000 5.99278407 1 Fe Fe2 1 0.00000000 0.00000000 4.12397724 1 Sb Sb3 1 2.38887666 0.00000000 2.94155071 1 [/CIF]
Ba2FeSb
Cmm2
35
orthorhombic
mm2
5,388.158877
false
[CIF] data_TiCdPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24334666 _cell_length_b 5.24334666 _cell_length_c 5.24334666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdPd4 _chemical_formula_sum 'Ti1 Cd1 Pd4' _cell_volume 101.93204037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56140897 5.56140897 5.56140897 1 Pd Pd1 1 4.63527302 2.77993894 4.63527302 1 Pd Pd2 1 2.77993894 4.63527302 4.63527302 1 Pd Pd3 1 2.77993894 2.77993894 2.77993894 1 Pd Pd4 1 4.63527302 4.63527302 2.77993894 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPd4Ti
F-43m
216
cubic
-43m
9,545.635964
false
[CIF] data_Be2TlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94632780 _cell_length_b 2.94632780 _cell_length_c 8.33081310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlCd _chemical_formula_sum 'Be2 Tl1 Cd1' _cell_volume 72.31851811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72992502 1 Be Be1 1 1.47316390 1.47316390 1.57329530 1 Cd Cd2 1 0.00000000 0.00000000 3.55098517 1 Tl Tl3 1 1.47316390 1.47316390 6.64201416 1 [/CIF]
Be2CdTl
P4mm
99
tetragonal
4mm
7,687.926776
false
[CIF] data_BaScOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03645770 _cell_length_b 4.40305595 _cell_length_c 6.87963752 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.86373095 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScOs2 _chemical_formula_sum 'Ba1 Sc1 Os2' _cell_volume 91.31944942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.10714167 0.00000000 3.41516624 1 Os Os1 1 0.08494768 2.20152797 5.73516933 1 Os Os2 1 2.12933565 2.20152797 1.09516315 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOs2Sc
P2/m
10
monoclinic
2/m
10,232.832061
false
[CIF] data_LaScBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03128530 _cell_length_b 6.03128530 _cell_length_c 6.03128530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScBi3 _chemical_formula_sum 'La1 Sc1 Bi3' _cell_volume 219.39646088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.01564265 0.00000000 3.01564265 1 Bi Bi2 1 3.01564265 3.01564265 0.00000000 1 Bi Bi3 1 0.00000000 3.01564265 3.01564265 1 La La4 1 3.01564265 3.01564265 3.01564265 1 [/CIF]
Bi3LaSc
Pm-3m
221
cubic
m-3m
6,136.695903
false
[CIF] data_Ba2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66354183 _cell_length_b 4.66354183 _cell_length_c 6.89000343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.87299235 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NbBr _chemical_formula_sum 'Ba2 Nb1 Br1' _cell_volume 149.65973807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.63145896 1 Ba Ba1 1 3.21391773 0.00000000 4.22134202 1 Br Br2 1 0.00000000 0.00000000 4.40650486 1 Nb Nb3 1 3.21391773 0.00000000 1.07569924 1 [/CIF]
Ba2BrNb
Cmm2
35
orthorhombic
mm2
4,964.809464
false
[CIF] data_Ag2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73623507 _cell_length_b 3.16577085 _cell_length_c 8.96767193 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.65139614 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2OsBr _chemical_formula_sum 'Ag2 Os1 Br1' _cell_volume 77.64834040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.12578228 1.58288542 6.43432275 1 Ag Ag1 1 2.60358421 1.58288542 2.52962460 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.23890096 0.00000000 4.48197368 1 [/CIF]
Ag2BrOs
P2/m
10
monoclinic
2/m
10,390.521888
false
[CIF] data_ErPa2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10605342 _cell_length_b 5.10605342 _cell_length_c 5.10605342 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErPa2W _chemical_formula_sum 'Er1 Pa2 W1' _cell_volume 94.13281909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 -0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 5.41578750 5.41578750 5.41578750 1 Pa Pa2 1 1.80526250 1.80526250 1.80526250 1 W W3 1 3.61052500 3.61052500 3.61052500 1 [/CIF]
ErPa2W
Fm-3m
225
cubic
m-3m
14,344.644386
false
[CIF] data_Ti4SiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24786413 _cell_length_b 5.24786413 _cell_length_c 5.24786413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4SiHg _chemical_formula_sum 'Ti4 Si1 Hg1' _cell_volume 102.19572954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56620047 5.56620047 5.56620047 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.64945996 4.64945996 2.77214066 1 Ti Ti3 1 4.64945996 2.77214066 4.64945996 1 Ti Ti4 1 2.77214066 4.64945996 4.64945996 1 Ti Ti5 1 2.77214066 2.77214066 2.77214066 1 [/CIF]
HgSiTi4
F-43m
216
cubic
-43m
6,826.749987
false
[CIF] data_ZrTaBeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77207094 _cell_length_b 4.77207094 _cell_length_c 4.77207094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaBeTl _chemical_formula_sum 'Zr1 Ta1 Be1 Tl1' _cell_volume 76.84324119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.37436372 3.37436372 3.37436372 1 Tl Tl2 1 5.06154558 5.06154558 5.06154558 1 Zr Zr3 1 1.68718186 1.68718186 1.68718186 1 [/CIF]
BeTaTlZr
F-43m
216
cubic
-43m
10,492.836606
false
[CIF] data_TiAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93953857 _cell_length_b 2.93953857 _cell_length_c 6.90945726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl2Rh _chemical_formula_sum 'Ti1 Al2 Rh1' _cell_volume 59.70383945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46976928 1.46976928 1.92400602 1 Al Al1 1 1.46976928 1.46976928 4.98545124 1 Rh Rh2 1 0.00000000 0.00000000 3.45472863 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2RhTi
P4/mmm
123
tetragonal
4/mmm
5,694.297509
false
[CIF] data_BiRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22238652 _cell_length_b 5.22238652 _cell_length_c 5.22238652 _cell_angle_alpha 116.45850472 _cell_angle_beta 116.45850472 _cell_angle_gamma 116.45850472 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRu3 _chemical_formula_sum 'Bi1 Ru3' _cell_volume 67.94472116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -2.21993629 -1.28168081 0.99500230 1 Ru Ru2 1 2.21993629 -1.28168081 0.99500230 1 Ru Ru3 1 -0.00000000 2.56336163 0.99500230 1 [/CIF]
BiRu3
R-3m
166
trigonal
-3m
12,517.707838
false
[CIF] data_Ca4YGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77799683 _cell_length_b 6.77799683 _cell_length_c 6.77799683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4YGa _chemical_formula_sum 'Ca4 Y1 Ga1' _cell_volume 220.18568770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59769334 3.59769334 5.98784170 1 Ca Ca1 1 3.59769334 5.98784170 3.59769334 1 Ca Ca2 1 5.98784170 3.59769334 3.59769334 1 Ca Ca3 1 5.98784170 5.98784170 5.98784170 1 Ga Ga4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 2.39638376 2.39638376 2.39638376 1 [/CIF]
Ca4GaY
F-43m
216
cubic
-43m
2,405.305026
false
[CIF] data_KZrSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46023867 _cell_length_b 5.46023867 _cell_length_c 5.46023867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrSnBi _chemical_formula_sum 'K1 Zr1 Sn1 Bi1' _cell_volume 115.11180957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86097179 3.86097179 3.86097179 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.79145769 5.79145769 5.79145769 1 Zr Zr3 1 1.93048589 1.93048589 1.93048589 1 [/CIF]
BiKSnZr
F-43m
216
cubic
-43m
6,607.036969
false
[CIF] data_BaTa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18874952 _cell_length_b 3.80214740 _cell_length_c 8.03194026 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2Os _chemical_formula_sum 'Ba1 Ta2 Os1' _cell_volume 97.38001234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14057604 1 Os Os1 1 1.59437476 1.90107370 6.78853173 1 Ta Ta2 1 0.00000000 0.00000000 7.86808105 1 Ta Ta3 1 1.59437476 1.90107370 1.28266182 1 [/CIF]
BaOsTa2
Pmm2
25
orthorhombic
mm2
11,756.655345
false
[CIF] data_TiCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76100671 _cell_length_b 4.76100671 _cell_length_c 3.39910134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCuBr2 _chemical_formula_sum 'Ti1 Cu1 Br2' _cell_volume 77.04805866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38050336 1.69955067 1 Br Br1 1 2.38050336 0.00000000 1.69955067 1 Cu Cu2 1 2.38050336 2.38050336 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2CuTi
P4/mmm
123
tetragonal
4/mmm
5,845.36243
false
[CIF] data_CaSiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77545213 _cell_length_b 5.77545213 _cell_length_c 5.77545213 _cell_angle_alpha 42.89309522 _cell_angle_beta 42.89309522 _cell_angle_gamma 42.89309522 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiPt2 _chemical_formula_sum 'Ca1 Si1 Pt2' _cell_volume 80.87407942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.85320783 1 Pt Pt1 1 0.00000000 -0.00000000 4.62966790 1 Pt Pt2 1 0.00000000 0.00000000 11.07674776 1 Si Si3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CaPt2Si
R-3m
166
trigonal
-3m
9,476.511663
false
[CIF] data_MgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40294448 _cell_length_b 3.40294448 _cell_length_c 3.40294448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGe _chemical_formula_sum 'Mg1 Ge1' _cell_volume 39.40620303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70147224 1.70147224 1.70147224 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeMg
Pm-3m
221
cubic
m-3m
4,085.168005
false
[CIF] data_Nb3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90462538 _cell_length_b 4.60426999 _cell_length_c 5.34963238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Cl _chemical_formula_sum 'Nb3 Cl1' _cell_volume 71.54426873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.45231269 2.30213499 3.95521769 1 Nb Nb2 1 0.00000000 0.00000000 2.67481619 1 Nb Nb3 1 1.45231269 2.30213499 1.39441469 1 [/CIF]
ClNb3
Pmmm
47
orthorhombic
mmm
7,291.920392
false
[CIF] data_La2BeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87481571 _cell_length_b 7.87481571 _cell_length_c 7.87481571 _cell_angle_alpha 29.99061085 _cell_angle_beta 29.99061085 _cell_angle_gamma 29.99061085 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeRh _chemical_formula_sum 'La2 Be1 Rh1' _cell_volume 108.07753076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 17.09711279 1 La La2 1 -0.00000000 0.00000000 5.44831263 1 Rh Rh3 1 -0.00000000 0.00000000 11.27271271 1 [/CIF]
BeLa2Rh
R-3m
166
trigonal
-3m
5,987.919943
false
[CIF] data_SrGeCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30358282 _cell_length_b 5.30358282 _cell_length_c 5.30358282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGeCl3 _chemical_formula_sum 'Sr1 Ge1 Cl3' _cell_volume 149.17912839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 2.65179141 2.65179141 2.65179141 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 0.00000000 2.65179141 0.00000000 1 Cl Cl3 1 0.00000000 0.00000000 2.65179141 1 Cl Cl4 1 2.65179141 0.00000000 0.00000000 1 [/CIF]
Cl3GeSr
Pm-3m
221
cubic
m-3m
2,967.782894
false
[CIF] data_HfScV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99559987 _cell_length_b 4.99559987 _cell_length_c 4.99559987 _cell_angle_alpha 133.49122101 _cell_angle_beta 124.85683216 _cell_angle_gamma 74.94351268 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScV2 _chemical_formula_sum 'Hf1 Sc1 V2' _cell_volume 72.32574492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 3.96477447 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.31224568 2.00667536 1 V V3 1 1.97233399 0.00000000 1.95809911 1 [/CIF]
HfScV2
Immm
71
orthorhombic
mmm
7,469.281767
false
[CIF] data_HfTl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23287458 _cell_length_b 5.23287458 _cell_length_c 5.23287458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl2Cd _chemical_formula_sum 'Hf1 Tl2 Cd1' _cell_volume 101.32251925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 5.55030165 5.55030165 5.55030165 1 Tl Tl2 1 3.70020110 3.70020110 3.70020110 1 Tl Tl3 1 1.85010055 1.85010055 1.85010055 1 [/CIF]
CdHfTl2
F-43m
216
cubic
-43m
11,466.605766
false
[CIF] data_Mg3SnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39661506 _cell_length_b 4.39661506 _cell_length_c 4.39661506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3SnN _chemical_formula_sum 'Mg3 Sn1 N1' _cell_volume 84.98755389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 2.19830753 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 2.19830753 1 Mg Mg2 1 2.19830753 0.00000000 0.00000000 1 Sn Sn3 1 2.19830753 2.19830753 2.19830753 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg3NSn
Pm-3m
221
cubic
m-3m
4,017.758549
false
[CIF] data_Co4CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67644552 _cell_length_b 4.67644552 _cell_length_c 4.67644552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4CuIr _chemical_formula_sum 'Co4 Cu1 Ir1' _cell_volume 72.31570763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13625338 2.47723930 4.13625338 1 Co Co1 1 2.47723930 4.13625338 4.13625338 1 Co Co2 1 2.47723930 2.47723930 2.47723930 1 Co Co3 1 4.13625338 4.13625338 2.47723930 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Ir Ir5 1 4.96011951 4.96011951 4.96011951 1 [/CIF]
Co4CuIr
F-43m
216
cubic
-43m
11,285.901369
false
[CIF] data_CdIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32377864 _cell_length_b 5.32377864 _cell_length_c 3.77099673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn3 _chemical_formula_sum 'Cd1 In3' _cell_volume 106.87992360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.66188932 0.00000000 1.88549836 1 In In2 1 2.66188932 2.66188932 0.00000000 1 In In3 1 0.00000000 2.66188932 1.88549836 1 [/CIF]
CdIn3
P4/mmm
123
tetragonal
4/mmm
7,098.079369
false
[CIF] data_HfOsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43068934 _cell_length_b 7.43068934 _cell_length_c 7.43068934 _cell_angle_alpha 155.29765248 _cell_angle_beta 144.56038758 _cell_angle_gamma 43.67917904 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfOsCl2 _chemical_formula_sum 'Hf1 Os1 Cl2' _cell_volume 99.17681553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26162216 4.82377124 1 Cl Cl1 1 1.58944637 -0.00000000 2.07361011 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 6.89738135 1 [/CIF]
Cl2HfOs
Immm
71
orthorhombic
mmm
7,360.754061
false
[CIF] data_LiTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94130205 _cell_length_b 4.94130205 _cell_length_c 4.94130205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTe2Pt _chemical_formula_sum 'Li1 Te2 Pt1' _cell_volume 85.31182045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.49402819 3.49402819 3.49402819 1 Te Te2 1 1.74701409 1.74701409 1.74701410 1 Te Te3 1 5.24104228 5.24104228 5.24104228 1 [/CIF]
LiPtTe2
Fm-3m
225
cubic
m-3m
8,899.587076
false
[CIF] data_ZrTi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98286132 _cell_length_b 3.98300634 _cell_length_c 4.37598461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2As _chemical_formula_sum 'Zr1 Ti2 As1' _cell_volume 69.41957788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99143066 0.00000000 2.18799230 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 1.99150317 2.18799230 1 Zr Zr3 1 1.99143066 1.99150317 0.00000000 1 [/CIF]
AsTi2Zr
Pmmm
47
orthorhombic
mmm
6,264.245906
false
[CIF] data_Ba2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24942542 _cell_length_b 4.24942542 _cell_length_c 8.34403551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AgSb _chemical_formula_sum 'Ba2 Ag1 Sb1' _cell_volume 150.67339247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 2.12471271 2.12471271 2.20841112 1 Ba Ba2 1 2.12471271 2.12471271 6.13562439 1 Sb Sb3 1 0.00000000 0.00000000 4.17201775 1 [/CIF]
AgBa2Sb
P4/mmm
123
tetragonal
4/mmm
5,557.585716
false
[CIF] data_LiZrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25313629 _cell_length_b 4.25313629 _cell_length_c 4.25313629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrCo2 _chemical_formula_sum 'Li1 Zr1 Co2' _cell_volume 54.40175378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51113227 4.51113227 4.51113226 1 Co Co1 1 1.50371075 1.50371075 1.50371075 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.00742151 3.00742151 3.00742151 1 [/CIF]
Co2LiZr
Fm-3m
225
cubic
m-3m
6,594.062467
false
[CIF] data_Li2AgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09204234 _cell_length_b 3.09204234 _cell_length_c 7.84291807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.16336035 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AgAs _chemical_formula_sum 'Li2 Ag1 As1' _cell_volume 74.93054551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14474008 0.00000000 3.97975270 1 As As1 1 0.00000000 0.00000000 1.87700864 1 Li Li2 1 2.14474008 0.00000000 0.17572481 1 Li Li3 1 0.00000000 0.00000000 5.73189095 1 [/CIF]
AgAsLi2
Cmm2
35
orthorhombic
mm2
4,358.452284
false
[CIF] data_TaGaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83300830 _cell_length_b 2.83300830 _cell_length_c 7.59857870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaRu2 _chemical_formula_sum 'Ta1 Ga1 Ru2' _cell_volume 60.98570655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.84122326 1 Ru Ru1 1 1.41650415 1.41650415 0.02216756 1 Ru Ru2 1 0.00000000 0.00000000 1.72025234 1 Ta Ta3 1 1.41650415 1.41650415 3.81422489 1 [/CIF]
GaRu2Ta
P4mm
99
tetragonal
4mm
12,329.284984
false
[CIF] data_Ta2NbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24138206 _cell_length_b 3.24138206 _cell_length_c 6.47111345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbV _chemical_formula_sum 'Ta2 Nb1 V1' _cell_volume 67.98912658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23555673 1 Ta Ta1 1 1.62069103 1.62069103 4.92817921 1 Ta Ta2 1 1.62069103 1.62069103 1.54293424 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbTa2V
P4/mmm
123
tetragonal
4/mmm
12,352.152195
false
[CIF] data_LaOsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83650532 _cell_length_b 4.83650532 _cell_length_c 4.83650532 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaOsBr _chemical_formula_sum 'La1 Os1 Br1' _cell_volume 79.99816256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 La La1 1 5.12988857 5.12988857 5.12988857 1 Os Os2 1 1.70996285 1.70996286 1.70996286 1 [/CIF]
BrLaOs
F-43m
216
cubic
-43m
8,490.520257
false
[CIF] data_Nb2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27844820 _cell_length_b 5.27844820 _cell_length_c 5.27844820 _cell_angle_alpha 132.13498668 _cell_angle_beta 132.13498668 _cell_angle_gamma 70.01591348 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2InAg _chemical_formula_sum 'Nb2 In1 Ag1' _cell_volume 79.29136880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 0.00000000 4.32343115 1 Nb Nb2 1 0.00000000 2.14125647 2.16171558 1 Nb Nb3 1 2.14125647 -0.00000000 2.16171558 1 [/CIF]
AgInNb2
I4/mmm
139
tetragonal
4/mmm
8,554.884246
false
[CIF] data_Na2SiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99173547 _cell_length_b 4.99173547 _cell_length_c 4.99173547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SiSe _chemical_formula_sum 'Na2 Si1 Se1' _cell_volume 87.95077876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29453500 5.29453500 5.29453500 1 Na Na1 1 1.76484500 1.76484500 1.76484500 1 Se Se2 1 3.52969000 3.52969000 3.52969000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2SeSi
Fm-3m
225
cubic
m-3m
2,889.162078
false
[CIF] data_SrSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93152107 _cell_length_b 4.93152107 _cell_length_c 3.24230903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.17395856 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnIr2 _chemical_formula_sum 'Sr1 Sn1 Ir2' _cell_volume 78.23533880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.63105699 -1.84922365 1.62115452 1 Ir Ir1 1 1.63105699 1.84922366 1.62115452 1 Sn Sn2 1 3.26211397 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2SnSr
Cmmm
65
orthorhombic
mmm
12,538.961878
false
[CIF] data_MgZnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07371436 _cell_length_b 5.07371436 _cell_length_c 5.07371436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnIn2 _chemical_formula_sum 'Mg1 Zn1 In2' _cell_volume 92.35555941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58765783 3.58765783 3.58765783 1 In In1 1 1.79382892 1.79382892 1.79382892 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.38148675 5.38148675 5.38148675 1 [/CIF]
In2MgZn
F-43m
216
cubic
-43m
5,741.34355
false
[CIF] data_YRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57066372 _cell_length_b 4.57066372 _cell_length_c 3.45832453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu2Br _chemical_formula_sum 'Y1 Ru2 Br1' _cell_volume 72.24774308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ru Ru1 1 0.00000000 2.28533186 1.72916227 1 Ru Ru2 1 2.28533186 0.00000000 1.72916227 1 Y Y3 1 2.28533186 2.28533186 0.00000000 1 [/CIF]
BrRu2Y
P4/mmm
123
tetragonal
4/mmm
8,525.895639
false
[CIF] data_LaBe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69062730 _cell_length_b 4.69062730 _cell_length_c 3.11200407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBe2Cu _chemical_formula_sum 'La1 Be2 Cu1' _cell_volume 68.47026521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34531365 0.00000000 1.55600204 1 Be Be1 1 0.00000000 2.34531365 1.55600204 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 2.34531365 2.34531365 0.00000000 1 [/CIF]
Be2CuLa
P4/mmm
123
tetragonal
4/mmm
5,346.974113
false
[CIF] data_TlBiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97007327 _cell_length_b 4.97007327 _cell_length_c 4.97007327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiB _chemical_formula_sum 'Tl1 Bi1 B1' _cell_volume 86.81072337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.75718626 1.75718626 1.75718626 1 Tl Tl2 1 3.51437251 3.51437251 3.51437251 1 [/CIF]
BBiTl
F-43m
216
cubic
-43m
8,113.728731
false
[CIF] data_Zr2ZnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42960520 _cell_length_b 3.42960520 _cell_length_c 6.23594890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnRe _chemical_formula_sum 'Zr2 Zn1 Re1' _cell_volume 73.34842719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.71480260 1.71480260 3.23646434 1 Zn Zn1 1 0.00000000 0.00000000 4.55427237 1 Zr Zr2 1 1.71480260 1.71480260 6.06170002 1 Zr Zr3 1 0.00000000 0.00000000 1.73743558 1 [/CIF]
ReZnZr2
P4mm
99
tetragonal
4mm
9,826.142173
false
[CIF] data_SrVRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98209367 _cell_length_b 4.98209367 _cell_length_c 4.98209367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVRhPb _chemical_formula_sum 'Sr1 V1 Rh1 Pb1' _cell_volume 87.44211801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.76143611 1.76143611 1.76143611 1 Rh Rh1 1 5.28430833 5.28430833 5.28430833 1 Sr Sr2 1 3.52287222 3.52287222 3.52287222 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRhSrV
F-43m
216
cubic
-43m
8,520.254294
false
[CIF] data_BeAlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81408462 _cell_length_b 4.81408462 _cell_length_c 4.81408462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlHg2 _chemical_formula_sum 'Be1 Al1 Hg2' _cell_volume 78.89076397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70203594 1.70203594 1.70203594 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.10610782 5.10610782 5.10610782 1 Hg Hg3 1 3.40407188 3.40407188 3.40407188 1 [/CIF]
AlBeHg2
F-43m
216
cubic
-43m
9,201.888858
false
[CIF] data_MgRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81139494 _cell_length_b 2.81139494 _cell_length_c 7.99291905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe3 _chemical_formula_sum 'Mg1 Re3' _cell_volume 63.17556487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.40569747 1.40569747 5.85400512 1 Re Re2 1 1.40569747 1.40569747 2.13891393 1 Re Re3 1 0.00000000 0.00000000 3.99645953 1 [/CIF]
MgRe3
P4/mmm
123
tetragonal
4/mmm
15,321.927045
false
[CIF] data_ZrTi9Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56946409 _cell_length_b 7.56946409 _cell_length_c 7.56946409 _cell_angle_alpha 45.05102090 _cell_angle_beta 45.05102090 _cell_angle_gamma 45.05102090 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi9Ni2 _chemical_formula_sum 'Zr1 Ti9 Ni2' _cell_volume 197.74807850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 0.00000000 4.59657785 1 Ni Ni1 1 0.00000000 -0.00000000 15.76916481 1 Ti Ti2 1 -1.44991095 -0.83710648 6.78858089 1 Ti Ti3 1 1.44991095 -0.83710648 6.78858089 1 Ti Ti4 1 -0.00000000 1.67421296 6.78858089 1 Ti Ti5 1 0.00000000 -1.73018980 9.15958807 1 Ti Ti6 1 1.49838832 0.86509490 9.15958807 1 Ti Ti7 1 -1.49838832 0.86509490 9.15958807 1 Ti Ti8 1 -0.00000000 1.73018980 11.20615459 1 Ti Ti9 1 1.49838832 -0.86509490 11.20615459 1 Ti Ti10 1 -1.49838832 -0.86509490 11.20615459 1 Zr Zr11 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2Ti9Zr
R-3m
166
trigonal
-3m
5,363.118664
false
[CIF] data_GeIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74067983 _cell_length_b 4.74067983 _cell_length_c 4.74067983 _cell_angle_alpha 100.05120457 _cell_angle_beta 100.05120457 _cell_angle_gamma 130.61278018 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeIr4 _chemical_formula_sum 'Ge1 Ir4' _cell_volume 73.48300905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.41104860 1.18071334 0.00000000 1 Ir Ir2 1 1.18071334 3.68020581 0.00000000 1 Ir Ir3 1 0.63457860 1.86491386 1.98049365 1 Ir Ir4 1 1.86491386 -0.63457860 1.98049365 1 [/CIF]
GeIr4
I4/m
87
tetragonal
4/m
19,016.054553
false
[CIF] data_BaLiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07989263 _cell_length_b 5.07989263 _cell_length_c 5.07989263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCu2 _chemical_formula_sum 'Ba1 Li1 Cu2' _cell_volume 92.69335490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59202653 3.59202653 3.59202653 1 Cu Cu1 1 5.38803979 5.38803979 5.38803979 1 Cu Cu2 1 1.79601326 1.79601326 1.79601326 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCu2Li
Fm-3m
225
cubic
m-3m
4,861.231764
false
[CIF] data_Ba2MgCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62987190 _cell_length_b 5.62987190 _cell_length_c 5.62987190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgCu _chemical_formula_sum 'Ba2 Mg1 Cu1' _cell_volume 126.17710027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.97138090 5.97138090 5.97138090 1 Ba Ba1 1 3.98092060 3.98092060 3.98092060 1 Cu Cu2 1 1.99046030 1.99046030 1.99046030 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CuMg
F-43m
216
cubic
-43m
4,770.70493
false
[CIF] data_Hf2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09601566 _cell_length_b 5.09601566 _cell_length_c 5.09601566 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BiAu _chemical_formula_sum 'Hf2 Bi1 Au1' _cell_volume 93.57875520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.60342723 3.60342723 3.60342723 1 Bi Bi1 1 1.80171362 1.80171362 1.80171361 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 5.40514085 5.40514085 5.40514085 1 [/CIF]
AuBiHf2
F-43m
216
cubic
-43m
13,538.009074
false
[CIF] data_K4SrV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64078819 _cell_length_b 7.64078819 _cell_length_c 7.64078819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4SrV _chemical_formula_sum 'K4 Sr1 V1' _cell_volume 315.42744917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.76783118 6.76783118 4.03787510 1 K K1 1 6.76783118 4.03787510 6.76783118 1 K K2 1 4.03787510 6.76783118 6.76783118 1 K K3 1 4.03787510 4.03787510 4.03787510 1 Sr Sr4 1 8.10427971 8.10427971 8.10427971 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K4SrV
F-43m
216
cubic
-43m
1,552.762144
false
[CIF] data_Na2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25154516 _cell_length_b 5.25154516 _cell_length_c 4.50849241 _cell_angle_alpha 98.36149318 _cell_angle_beta 98.36149318 _cell_angle_gamma 29.58127838 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeIr _chemical_formula_sum 'Na2 Fe1 Ir1' _cell_volume 60.68244480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73849338 0.00000000 2.22860409 1 Na Na2 1 2.02502609 0.00000000 3.34399632 1 Na Na3 1 7.45196067 0.00000000 1.11321186 1 [/CIF]
FeIrNa2
C2/m
12
monoclinic
2/m
8,046.27209
false
[CIF] data_Co3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59078530 _cell_length_b 4.59078530 _cell_length_c 4.59078530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3W _chemical_formula_sum 'Co6 W2' _cell_volume 96.75222183 _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 2.29539265 3.44308897 0.00000000 1 Co Co1 1 2.29539265 1.14769632 0.00000000 1 Co Co2 1 3.44308897 0.00000000 2.29539265 1 Co Co3 1 0.00000000 2.29539265 3.44308897 1 Co Co4 1 0.00000000 2.29539265 1.14769632 1 Co Co5 1 1.14769632 0.00000000 2.29539265 1 W W6 1 2.29539265 2.29539265 2.29539265 1 W W7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co6W2
Pm-3n
223
cubic
m-3m
12,379.170391
false
[CIF] data_CrOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15354072 _cell_length_b 4.15354072 _cell_length_c 4.15354072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrOsPt _chemical_formula_sum 'Cr1 Os1 Pt1' _cell_volume 50.66877681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.93699681 2.93699681 2.93699681 1 Pt Pt2 1 4.40549522 4.40549522 4.40549522 1 [/CIF]
CrOsPt
F-43m
216
cubic
-43m
14,331.715724
false
[CIF] data_SnGe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43021250 _cell_length_b 3.43021250 _cell_length_c 7.39646809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGe2Se _chemical_formula_sum 'Sn1 Ge2 Se1' _cell_volume 87.02948997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15425460 1 Ge Ge1 1 1.71510625 1.71510625 1.91446859 1 Se Se2 1 0.00000000 0.00000000 3.50455501 1 Sn Sn3 1 1.71510625 1.71510625 5.52142386 1 [/CIF]
Ge2SeSn
P4mm
99
tetragonal
4mm
6,543.550618
false
[CIF] data_HfBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99566592 _cell_length_b 3.99566592 _cell_length_c 6.27532424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBi2As _chemical_formula_sum 'Hf1 Bi2 As1' _cell_volume 100.18772366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 1.99783296 1.99783296 1.60638009 1 Bi Bi2 1 1.99783296 1.99783296 4.66894415 1 Hf Hf3 1 0.00000000 0.00000000 3.13766212 1 [/CIF]
AsBi2Hf
P4/mmm
123
tetragonal
4/mmm
11,127.512012
false
[CIF] data_TiAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02478698 _cell_length_b 5.02478698 _cell_length_c 5.02478698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgBr2 _chemical_formula_sum 'Ti1 Ag1 Br2' _cell_volume 89.70940336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77653048 1.77653047 1.77653048 1 Br Br1 1 5.32959143 5.32959143 5.32959143 1 Br Br2 1 3.55306095 3.55306095 3.55306095 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBr2Ti
F-43m
216
cubic
-43m
5,840.767982
false
[CIF] data_ZnFeCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02976280 _cell_length_b 4.02976280 _cell_length_c 4.02976280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeCo2 _chemical_formula_sum 'Zn1 Fe1 Co2' _cell_volume 46.27255192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42473630 1.42473630 1.42473630 1 Co Co1 1 4.27420890 4.27420890 4.27420890 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.84947260 2.84947260 2.84947260 1 [/CIF]
Co2FeZn
Fm-3m
225
cubic
m-3m
8,580.045343
false
[CIF] data_BeNiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18069514 _cell_length_b 5.18069514 _cell_length_c 4.90255732 _cell_angle_alpha 94.57965062 _cell_angle_beta 94.57965062 _cell_angle_gamma 40.31558496 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiBr2 _chemical_formula_sum 'Be1 Ni1 Br2' _cell_volume 84.82513124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92044917 -0.00000000 3.26234310 1 Br Br1 1 9.09758584 -0.00000000 4.27147168 1 Br Br2 1 7.11229843 -0.00000000 1.77786532 1 Ni Ni3 1 5.14401575 -0.00000000 2.90029947 1 [/CIF]
BeBr2Ni
Cm
8
monoclinic
m
4,453.812043
false
[CIF] data_AgAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62465017 _cell_length_b 5.62465017 _cell_length_c 2.95095719 _cell_angle_alpha 100.12650106 _cell_angle_beta 100.12650106 _cell_angle_gamma 116.84122814 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAs2Se _chemical_formula_sum 'Ag1 As2 Se1' _cell_volume 78.46488341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94551362 -0.00000000 0.00000000 1 As As1 1 0.97737417 -2.39586305 1.38983205 1 As As2 1 0.97737417 2.39586305 1.38983205 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAs2Se
C2/m
12
monoclinic
2/m
7,124.919939
false
[CIF] data_Ca2CdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68701264 _cell_length_b 5.68701264 _cell_length_c 5.68701264 _cell_angle_alpha 133.34234431 _cell_angle_beta 117.61305355 _cell_angle_gamma 81.38153722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CdPt2 _chemical_formula_sum 'Ca2 Cd1 Pt2' _cell_volume 114.41766921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.25210000 0.00000000 2.58168170 1 Ca Ca1 1 -0.00000000 2.94547200 1.73043530 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 1.33556537 4.31211700 1 Pt Pt4 1 2.25210000 1.60990663 -0.00000000 1 [/CIF]
Ca2CdPt2
Immm
71
orthorhombic
mmm
8,457.209797
false
[CIF] data_HfCd2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75226445 _cell_length_b 5.75226445 _cell_length_c 5.75226445 _cell_angle_alpha 135.16808215 _cell_angle_beta 135.16808215 _cell_angle_gamma 65.26914970 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd2Bi _chemical_formula_sum 'Hf1 Cd2 Bi1' _cell_volume 93.22905826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19349881 2.42206896 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.19349881 -0.00000000 2.42206896 1 Hf Hf3 1 0.00000000 0.00000000 4.84413792 1 [/CIF]
BiCd2Hf
I-4m2
119
tetragonal
-42m
10,905.778406
false
[CIF] data_BaNb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06143776 _cell_length_b 3.06143776 _cell_length_c 9.83009474 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Au _chemical_formula_sum 'Ba1 Nb2 Au1' _cell_volume 92.13159133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53071888 1.53071888 4.48211555 1 Ba Ba1 1 0.00000000 0.00000000 7.18336434 1 Nb Nb2 1 1.53071888 1.53071888 0.49903056 1 Nb Nb3 1 0.00000000 0.00000000 2.58063166 1 [/CIF]
AuBaNb2
P4mm
99
tetragonal
4mm
9,374.166512
false
[CIF] data_TcAsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46741901 _cell_length_b 4.46741901 _cell_length_c 4.46741901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAsPt2 _chemical_formula_sum 'Tc1 As1 Pt2' _cell_volume 63.04564134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt1 1 4.73841342 4.73841342 4.73841342 1 Pt Pt2 1 1.57947114 1.57947114 1.57947114 1 Tc Tc3 1 3.15894228 3.15894228 3.15894228 1 [/CIF]
AsPt2Tc
Fm-3m
225
cubic
m-3m
14,854.905739
false
[CIF] data_HfHgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77599489 _cell_length_b 3.77599489 _cell_length_c 5.65399676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgGe2 _chemical_formula_sum 'Hf1 Hg1 Ge2' _cell_volume 80.61546250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47959211 1 Ge Ge1 1 1.88799744 1.88799744 1.65528032 1 Hf Hf2 1 0.00000000 0.00000000 2.59451695 1 Hg Hg3 1 1.88799744 1.88799744 4.40560247 1 [/CIF]
Ge2HfHg
P4mm
99
tetragonal
4mm
10,801.030493
false
[CIF] data_MoAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84962772 _cell_length_b 2.84962772 _cell_length_c 9.13431142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAs2Pt _chemical_formula_sum 'Mo1 As2 Pt1' _cell_volume 74.17406280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 8.62880967 1 As As1 1 1.42481386 1.42481386 2.86269274 1 Mo Mo2 1 0.00000000 0.00000000 4.73668159 1 Pt Pt3 1 1.42481386 1.42481386 6.60759445 1 [/CIF]
As2MoPt
P4mm
99
tetragonal
4mm
9,870.16744
false
[CIF] data_EuU _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88879506 _cell_length_b 2.88879506 _cell_length_c 5.72125801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuU _chemical_formula_sum 'Eu1 U1' _cell_volume 47.74468138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 U U1 1 1.44439753 1.44439753 2.86062901 1 [/CIF]
EuU
P4/mmm
123
tetragonal
4/mmm
13,563.78227
false
[CIF] data_KMoPO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91181600 _cell_length_b 8.64439900 _cell_length_c 12.68836193 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.29338467 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMoPO7 _chemical_formula_sum 'K4 Mo4 P4 O28' _cell_volume 615.65687422 _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 K K0 1 -0.34155681 7.68088564 9.98947898 1 K K1 1 1.64977269 5.28571286 3.96592198 1 K K2 1 2.27071381 0.96351336 2.05763502 1 K K3 1 0.27938431 3.35868614 8.08119202 1 Mo Mo4 1 3.02310517 6.41982343 7.35442578 1 Mo Mo5 1 5.01443467 6.54677507 1.33086878 1 Mo Mo6 1 -1.09394817 2.22457557 4.69268822 1 Mo Mo7 1 -3.08527767 2.09762393 10.71624522 1 P P8 1 -3.37691728 5.46079651 10.49283149 1 P P9 1 -1.38558778 7.50580199 4.46927449 1 P P10 1 5.30607428 3.18360249 1.55428251 1 P P11 1 3.31474478 1.13859701 7.57783951 1 O O12 1 -1.40281257 5.64936543 7.81585434 1 O O13 1 0.58851693 7.31723307 1.79229734 1 O O14 1 3.33196957 2.99503357 4.23125966 1 O O15 1 1.34064007 1.32716593 10.25481666 1 O O16 1 1.99242533 5.12047517 6.83608665 1 O O17 1 3.98375483 7.84612333 0.81252965 1 O O18 1 -0.06326833 3.52392383 5.21102735 1 O O19 1 -2.05459783 0.79827567 11.23458435 1 O O20 1 1.46700277 5.95492765 11.53334073 1 O O21 1 3.45833227 7.01167085 5.50978373 1 O O22 1 0.46215423 2.68947135 0.51377327 1 O O23 1 -1.52917527 1.63272815 6.53733027 1 O O24 1 2.27310763 6.40766940 9.26886880 1 O O25 1 4.26443713 6.55892910 3.24531180 1 O O26 1 -0.34395063 2.23672960 2.77824520 1 O O27 1 -2.33528013 2.08546990 8.80180220 1 O O28 1 2.16410602 4.02401096 10.08320552 1 O O29 1 4.15543552 0.29818854 4.05964852 1 O O30 1 -0.23494902 4.62038804 1.96390848 1 O O31 1 -2.22627852 8.34621046 7.98746548 1 O O32 1 -1.93929039 5.60477762 11.00564099 1 O O33 1 0.05203911 7.36182088 4.98208399 1 O O34 1 3.86844739 3.03962138 1.04147301 1 O O35 1 1.87711789 1.28257812 7.06503001 1 O O36 1 1.14466677 7.75595360 7.31554974 1 O O37 1 3.13599627 5.21064490 1.29199274 1 O O38 1 0.78449023 0.88844540 4.73156426 1 O O39 1 -1.20683927 3.43375410 10.75512126 1 [/CIF]
K4Mo4O28P4
P2_1/c
14
monoclinic
2/m
2,999.567751
false
[CIF] data_LaMnAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87267372 _cell_length_b 4.87267372 _cell_length_c 4.87267372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnAl2 _chemical_formula_sum 'La1 Mn1 Al2' _cell_volume 81.80634637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16825095 5.16825095 5.16825095 1 Al Al1 1 1.72275032 1.72275032 1.72275032 1 La La2 1 3.44550063 3.44550063 3.44550063 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2LaMn
Fm-3m
225
cubic
m-3m
5,030.08074
false
[CIF] data_Te2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58574371 _cell_length_b 6.58574371 _cell_length_c 7.78212337 _cell_angle_alpha 106.09379278 _cell_angle_beta 106.09379278 _cell_angle_gamma 30.18470108 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2Mo _chemical_formula_sum 'Te4 Mo2' _cell_volume 162.55945333 _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 7.83982727 -0.00000000 0.36073190 1 Mo Mo1 1 2.64298578 -0.00000000 7.09373652 1 Te Te2 1 10.71191888 -0.00000000 5.78158899 1 Te Te3 1 3.05871075 -0.00000000 1.83545528 1 Te Te4 1 -0.22910583 -0.00000000 1.67287944 1 Te Te5 1 7.42410231 -0.00000000 5.61901314 1 [/CIF]
Mo2Te4
C2/m
12
monoclinic
2/m
7,174.173961
false
[CIF] data_MgVIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88554810 _cell_length_b 4.88554810 _cell_length_c 4.88554810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVIn2 _chemical_formula_sum 'Mg1 V1 In2' _cell_volume 82.45649723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18190629 5.18190629 5.18190629 1 In In1 1 1.72730210 1.72730210 1.72730210 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.45460419 3.45460419 3.45460419 1 [/CIF]
In2MgV
Fm-3m
225
cubic
m-3m
6,139.835173
false
[CIF] data_LaInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91284664 _cell_length_b 4.91284664 _cell_length_c 3.48020504 _cell_angle_alpha 94.96076257 _cell_angle_beta 94.96076257 _cell_angle_gamma 92.58236643 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInCu2 _chemical_formula_sum 'La1 In1 Cu2' _cell_volume 83.25347053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47961005 -1.77565218 1.72642292 1 Cu Cu1 1 1.47961005 1.77565218 1.72642292 1 In In2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 3.39474585 -0.00000000 0.00000000 1 [/CIF]
Cu2InLa
C2/m
12
monoclinic
2/m
7,595.586839
false
[CIF] data_MnCdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81276200 _cell_length_b 3.81276200 _cell_length_c 3.81276200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdO3 _chemical_formula_sum 'Mn1 Cd1 O3' _cell_volume 55.42670862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.90638100 1.90638100 1.90638100 1 O O2 1 0.00000000 0.00000000 1.90638100 1 O O3 1 0.00000000 1.90638100 0.00000000 1 O O4 1 1.90638100 0.00000000 0.00000000 1 [/CIF]
CdMnO3
Pm-3m
221
cubic
m-3m
6,451.628143
false
[CIF] data_NbGaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28696924 _cell_length_b 4.55313337 _cell_length_c 5.84548808 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.35829667 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaBr2 _chemical_formula_sum 'Nb1 Ga1 Br2' _cell_volume 87.33339636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.87450986 2.27656669 4.28503031 1 Br Br1 1 2.07003199 2.27656669 1.55041949 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.47227092 0.00000000 2.91772490 1 [/CIF]
Br2GaNb
P2/m
10
monoclinic
2/m
6,130.757401
false
[CIF] data_Fe3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25085128 _cell_length_b 4.25085128 _cell_length_c 4.25085128 _cell_angle_alpha 133.91411924 _cell_angle_beta 133.91411924 _cell_angle_gamma 67.22217689 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3C _chemical_formula_sum 'Fe3 C1' _cell_volume 39.20340714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 -0.00000000 3.54016900 1 Fe Fe2 1 0.00000000 1.66387200 1.77008450 1 Fe Fe3 1 1.66387200 -0.00000000 1.77008450 1 [/CIF]
CFe3
I4/mmm
139
tetragonal
4/mmm
7,605.018819
false
[CIF] data_Y2CrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12118836 _cell_length_b 5.12118836 _cell_length_c 5.12118836 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CrAg _chemical_formula_sum 'Y2 Cr1 Ag1' _cell_volume 94.97236487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62122702 3.62122702 3.62122702 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.43184053 5.43184053 5.43184053 1 Y Y3 1 1.81061351 1.81061351 1.81061351 1 [/CIF]
AgCrY2
Fm-3m
225
cubic
m-3m
5,904.077366
false