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_PPtW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45380421 _cell_length_b 4.45380421 _cell_length_c 4.45380421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPtW2 _chemical_formula_sum 'P1 Pt1 W2' _cell_volume 62.47098691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.57465758 1.57465758 1.57465758 1 W W2 1 3.14931516 3.14931516 3.14931516 1 W W3 1 4.72397274 4.72397274 4.72397274 1 [/CIF]
PPtW2
F-43m
216
cubic
-43m
15,782.122195
false
[CIF] data_Co2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11199778 _cell_length_b 3.11199778 _cell_length_c 7.18820250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2PbAu _chemical_formula_sum 'Co2 Pb1 Au1' _cell_volume 69.61436407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.81675650 1 Co Co1 1 1.55599889 1.55599889 0.28296021 1 Co Co2 1 0.00000000 0.00000000 1.32024479 1 Pb Pb3 1 1.55599889 1.55599889 3.36234224 1 [/CIF]
AuCo2Pb
P4mm
99
tetragonal
4mm
12,452.259444
false
[CIF] data_TiBAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33337525 _cell_length_b 5.33337525 _cell_length_c 5.33337525 _cell_angle_alpha 140.83015339 _cell_angle_beta 140.83015339 _cell_angle_gamma 56.59497158 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBAs2 _chemical_formula_sum 'Ti1 B1 As2' _cell_volume 60.03608818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69602707 1 As As1 1 -0.00000000 1.78776694 2.34801354 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.78776694 -0.00000000 2.34801354 1 [/CIF]
As2BTi
I-4m2
119
tetragonal
-42m
5,767.491009
false
[CIF] data_Mn2NbCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70223527 _cell_length_b 4.70223527 _cell_length_c 5.30117985 _cell_angle_alpha 97.23346716 _cell_angle_beta 97.23346716 _cell_angle_gamma 35.10346381 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbCd _chemical_formula_sum 'Mn2 Nb1 Cd1' _cell_volume 66.81437980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.13328394 -0.00000000 2.62737504 1 Mn Mn1 1 6.56305323 -0.00000000 1.18562143 1 Mn Mn2 1 1.70351466 0.00000000 4.06912865 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMn2Nb
C2/m
12
monoclinic
2/m
7,833.509374
false
[CIF] data_SrPbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02404595 _cell_length_b 5.02404595 _cell_length_c 4.37329392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPbCl2 _chemical_formula_sum 'Sr1 Pb1 Cl2' _cell_volume 110.38647674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51202297 2.18664696 1 Cl Cl1 1 2.51202297 0.00000000 2.18664696 1 Pb Pb2 1 2.51202297 2.51202297 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2PbSr
P4/mmm
123
tetragonal
4/mmm
5,501.600636
false
[CIF] data_HfTeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48230984 _cell_length_b 3.48230984 _cell_length_c 6.44703416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTeP2 _chemical_formula_sum 'Hf1 Te1 P2' _cell_volume 78.17984255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74115492 1.74115492 5.21859229 1 P P1 1 0.00000000 0.00000000 6.19295461 1 P P2 1 1.74115492 1.74115492 1.42725796 1 Te Te3 1 0.00000000 0.00000000 3.27878054 1 [/CIF]
HfP2Te
P4mm
99
tetragonal
4mm
7,817.113295
false
[CIF] data_ZrTa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58869247 _cell_length_b 4.58869247 _cell_length_c 4.58869247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Co _chemical_formula_sum 'Zr1 Ta2 Co1' _cell_volume 68.32062949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.24469556 3.24469556 3.24469556 1 Ta Ta2 1 4.86704334 4.86704334 4.86704334 1 Zr Zr3 1 1.62234778 1.62234778 1.62234778 1 [/CIF]
CoTa2Zr
F-43m
216
cubic
-43m
12,445.493291
false
[CIF] data_InRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78768652 _cell_length_b 4.78768652 _cell_length_c 4.78768652 _cell_angle_alpha 124.00604541 _cell_angle_beta 124.00604541 _cell_angle_gamma 83.19095346 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRh2Pb _chemical_formula_sum 'In1 Rh2 Pb1' _cell_volume 72.34096477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 -0.00000000 3.58047377 1 Rh Rh2 1 2.24745966 -0.00000000 1.79023689 1 Rh Rh3 1 -0.00000000 2.24745966 1.79023689 1 [/CIF]
InPbRh2
I4/mmm
139
tetragonal
4/mmm
12,116.234986
false
[CIF] data_Bi2PbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87448183 _cell_length_b 3.87448183 _cell_length_c 7.55254828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PbAu _chemical_formula_sum 'Bi2 Pb1 Au1' _cell_volume 113.37590514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.70071744 1 Bi Bi1 1 1.93724092 1.93724092 7.36974104 1 Bi Bi2 1 0.00000000 0.00000000 1.76476393 1 Pb Pb3 1 1.93724092 1.93724092 4.04614829 1 [/CIF]
AuBi2Pb
P4mm
99
tetragonal
4mm
12,041.135304
false
[CIF] data_AgGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61056894 _cell_length_b 4.61056894 _cell_length_c 4.61056894 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGe2Pt _chemical_formula_sum 'Ag1 Ge2 Pt1' _cell_volume 69.30244580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 4.89024684 4.89024684 4.89024684 1 Ge Ge2 1 1.63008228 1.63008228 1.63008228 1 Pt Pt3 1 3.26016456 3.26016456 3.26016456 1 [/CIF]
AgGe2Pt
Fm-3m
225
cubic
m-3m
10,739.982845
false
[CIF] data_Cd2PtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98761838 _cell_length_b 4.98761838 _cell_length_c 4.98761838 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2PtPb _chemical_formula_sum 'Cd2 Pt1 Pb1' _cell_volume 87.73333790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29016817 5.29016817 5.29016817 1 Cd Cd1 1 1.76338939 1.76338939 1.76338939 1 Pb Pb2 1 3.52677878 3.52677878 3.52677878 1 Pt Pt3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cd2PbPt
Fm-3m
225
cubic
m-3m
11,869.308028
false
[CIF] data_FeSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63641670 _cell_length_b 4.63641670 _cell_length_c 4.63641670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSnPb _chemical_formula_sum 'Fe1 Sn1 Pb1' _cell_volume 70.47456225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.63922085 1.63922085 1.63922085 1 Sn Sn2 1 4.91766254 4.91766254 4.91766254 1 [/CIF]
FePbSn
F-43m
216
cubic
-43m
8,995.005732
false
[CIF] data_PmNpCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81835843 _cell_length_b 4.81835843 _cell_length_c 4.81835843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmNpCu2 _chemical_formula_sum 'Pm1 Np1 Cu2' _cell_volume 79.10106175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11064088 5.11064088 5.11064088 1 Cu Cu1 1 1.70354696 1.70354696 1.70354696 1 Np Np2 1 3.40709392 3.40709392 3.40709392 1 Pm Pm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2NpPm
Fm-3m
225
cubic
m-3m
10,687.178349
false
[CIF] data_HfTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69037401 _cell_length_b 4.69037401 _cell_length_c 2.97523915 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi2 _chemical_formula_sum 'Hf1 Ti2' _cell_volume 56.68490989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 -0.00000000 2.70798870 1.48761958 1 Ti Ti2 1 2.34518700 1.35399435 1.48761958 1 [/CIF]
Hf2Ti4
P6/mmm
191
hexagonal
6/mmm
8,033.172782
false
[CIF] data_MnHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91229433 _cell_length_b 3.91229433 _cell_length_c 4.68862267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.32151779 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHgB2 _chemical_formula_sum 'Mn1 Hg1 B2' _cell_volume 50.45945259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48702291 1.48370573 0.00000000 1 B B1 1 1.48702291 -1.48370573 0.00000000 1 Hg Hg2 1 1.48702291 -0.00000000 2.34431133 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2HgMn
Cmmm
65
orthorhombic
mmm
9,120.646587
false
[CIF] data_HfSnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25716697 _cell_length_b 5.25716697 _cell_length_c 5.25716697 _cell_angle_alpha 131.58449920 _cell_angle_beta 131.58449920 _cell_angle_gamma 70.88606219 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSnAu2 _chemical_formula_sum 'Hf1 Sn1 Au2' _cell_volume 79.61136259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15568245 2.14148726 1 Au Au1 1 2.15568245 0.00000000 2.14148727 1 Hf Hf2 1 0.00000000 0.00000000 4.28297453 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2HfSn
I4/mmm
139
tetragonal
4/mmm
14,416.160666
false
[CIF] data_KVGaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53714024 _cell_length_b 4.53714024 _cell_length_c 4.53714024 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVGaFe _chemical_formula_sum 'K1 V1 Ga1 Fe1' _cell_volume 66.04373277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81236395 4.81236395 4.81236395 1 Ga Ga1 1 3.20824263 3.20824263 3.20824263 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.60412132 1.60412132 1.60412132 1 [/CIF]
FeGaKV
F-43m
216
cubic
-43m
5,421.031791
false
[CIF] data_Nb2CrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13635659 _cell_length_b 4.13635659 _cell_length_c 3.65591448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CrGe _chemical_formula_sum 'Nb2 Cr1 Ge1' _cell_volume 62.55067079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.06817830 2.06817830 0.00000000 1 Nb Nb2 1 2.06817830 0.00000000 1.82795724 1 Nb Nb3 1 0.00000000 2.06817830 1.82795724 1 [/CIF]
CrGeNb2
P4/mmm
123
tetragonal
4/mmm
8,241.517696
false
[CIF] data_Sc2TaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34388473 _cell_length_b 5.34388473 _cell_length_c 5.34388473 _cell_angle_alpha 131.56843441 _cell_angle_beta 131.56843441 _cell_angle_gamma 70.91149782 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TaCd _chemical_formula_sum 'Sc2 Ta1 Cd1' _cell_volume 83.65524147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 2.19192403 -0.00000000 2.17646744 1 Sc Sc2 1 -0.00000000 2.19192403 2.17646744 1 Ta Ta3 1 0.00000000 -0.00000000 4.35293488 1 [/CIF]
CdSc2Ta
I4/mmm
139
tetragonal
4/mmm
7,607.843404
false
[CIF] data_VFeSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45793043 _cell_length_b 4.45793043 _cell_length_c 4.45793043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeSnPd _chemical_formula_sum 'V1 Fe1 Sn1 Pd1' _cell_volume 62.64477638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72834926 4.72834926 4.72834926 1 Pd Pd1 1 3.15223284 3.15223284 3.15223284 1 Sn Sn2 1 1.57611642 1.57611642 1.57611642 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FePdSnV
F-43m
216
cubic
-43m
8,798.184732
false
[CIF] data_CaCuGeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84949675 _cell_length_b 4.84949675 _cell_length_c 4.84949675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuGeSe _chemical_formula_sum 'Ca1 Cu1 Ge1 Se1' _cell_volume 80.64454966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 3.42911204 3.42911204 3.42911204 1 Ge Ge2 1 5.14366806 5.14366806 5.14366806 1 Se Se3 1 1.71455602 1.71455602 1.71455602 1 [/CIF]
CaCuGeSe
F-43m
216
cubic
-43m
5,255.276699
false
[CIF] data_YVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23281234 _cell_length_b 3.23281234 _cell_length_c 6.94077976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVAs2 _chemical_formula_sum 'Y1 V1 As2' _cell_volume 72.53861417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61640617 1.61640617 5.50552368 1 As As1 1 1.61640617 1.61640617 1.43525608 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.47038988 1 [/CIF]
As2VY
P4/mmm
123
tetragonal
4/mmm
6,631.646341
false
[CIF] data_Na3Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10929992 _cell_length_b 6.10929992 _cell_length_c 3.26256301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.94543757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Cr _chemical_formula_sum 'Na3 Cr1' _cell_volume 112.94695503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41868838 0.00000000 0.00000000 1 Na Na1 1 1.70934419 -2.53160597 1.63128150 1 Na Na2 1 1.70934419 2.53160598 1.63128150 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrNa3
Cmmm
65
orthorhombic
mmm
1,778.425858
false
[CIF] data_AgSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07899031 _cell_length_b 3.07899031 _cell_length_c 7.58636241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbRh2 _chemical_formula_sum 'Ag1 Sb1 Rh2' _cell_volume 71.92009125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.93327993 1 Rh Rh1 1 1.53949515 1.53949515 0.16621705 1 Rh Rh2 1 0.00000000 0.00000000 1.80362277 1 Sb Sb3 1 1.53949515 1.53949515 3.47642387 1 [/CIF]
AgRh2Sb
P4mm
99
tetragonal
4mm
10,054.627604
false
[CIF] data_CaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69912506 _cell_length_b 7.69912506 _cell_length_c 5.00268042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.89785642 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPb _chemical_formula_sum 'Ca2 Pb2' _cell_volume 166.26192618 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.25756833 -1.92278368 3.75201031 1 Ca Ca1 1 2.25756833 1.92278368 1.25067010 1 Pb Pb2 1 2.25756833 -5.84246593 3.75201031 1 Pb Pb3 1 2.25756833 5.84246593 1.25067010 1 [/CIF]
Ca2Pb2
Cmcm
63
orthorhombic
mmm
4,939.372335
false
[CIF] data_TaFe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95719050 _cell_length_b 3.95719050 _cell_length_c 3.46746860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFe2Rh _chemical_formula_sum 'Ta1 Fe2 Rh1' _cell_volume 54.29832746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97859525 0.00000000 1.73373430 1 Fe Fe1 1 0.00000000 1.97859525 1.73373430 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.97859525 1.97859525 0.00000000 1 [/CIF]
Fe2RhTa
P4/mmm
123
tetragonal
4/mmm
12,096.860665
false
[CIF] data_SrYNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99176700 _cell_length_b 5.99176700 _cell_length_c 5.99176700 _cell_angle_alpha 140.54327875 _cell_angle_beta 140.54327875 _cell_angle_gamma 57.02932902 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYNi2 _chemical_formula_sum 'Sr1 Y1 Ni2' _cell_volume 86.15252334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ni Ni1 1 2.02258825 -0.00000000 2.63246773 1 Sr Sr2 1 0.00000000 0.00000000 5.26493545 1 Y Y3 1 -0.00000000 2.02258825 2.63246773 1 [/CIF]
Ni2SrY
I-4m2
119
tetragonal
-42m
5,664.992952
false
[CIF] data_Ta2NbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25262406 _cell_length_b 3.25262406 _cell_length_c 6.62801301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbMo _chemical_formula_sum 'Ta2 Nb1 Mo1' _cell_volume 70.12148282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62631203 1.62631203 3.31908635 1 Nb Nb1 1 0.00000000 0.00000000 4.90677967 1 Ta Ta2 1 1.62631203 1.62631203 6.62137254 1 Ta Ta3 1 0.00000000 0.00000000 1.72279397 1 [/CIF]
MoNbTa2
P4mm
99
tetragonal
4mm
13,042.561651
false
[CIF] data_Zr2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48315955 _cell_length_b 5.48315955 _cell_length_c 5.48315955 _cell_angle_alpha 138.39472696 _cell_angle_beta 138.39472696 _cell_angle_gamma 60.29899069 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2IrRu _chemical_formula_sum 'Zr2 Ir1 Ru1' _cell_volume 71.92016246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94734400 0.00000000 2.37069301 1 Ru Ru1 1 0.00000000 0.00000000 4.74138602 1 Zr Zr2 1 0.00000000 1.94734400 2.37069301 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRuZr2
I-4m2
119
tetragonal
-42m
10,984.076312
false
[CIF] data_OsAuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20409402 _cell_length_b 4.20409402 _cell_length_c 4.20409402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsAuF3 _chemical_formula_sum 'Os1 Au1 F3' _cell_volume 74.30486680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.10204701 2.10204701 2.10204701 1 F F1 1 2.10204701 0.00000000 0.00000000 1 F F2 1 0.00000000 2.10204701 0.00000000 1 F F3 1 0.00000000 0.00000000 2.10204701 1 Os Os4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuF3Os
Pm-3m
221
cubic
m-3m
9,926.641864
false
[CIF] data_LiZrCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68394635 _cell_length_b 4.68394635 _cell_length_c 4.68394635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrCdPt _chemical_formula_sum 'Li1 Zr1 Cd1 Pt1' _cell_volume 72.66424065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65602512 1.65602512 1.65602511 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.96807534 4.96807535 4.96807534 1 Zr Zr3 1 3.31205023 3.31205023 3.31205023 1 [/CIF]
CdLiPtZr
F-43m
216
cubic
-43m
9,270.230746
false
[CIF] data_CrHg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02128085 _cell_length_b 5.02128085 _cell_length_c 5.02128085 _cell_angle_alpha 132.06010864 _cell_angle_beta 132.06010864 _cell_angle_gamma 70.13410838 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg2Mo _chemical_formula_sum 'Cr1 Hg2 Mo1' _cell_volume 68.40916101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.03993245 0.00000000 2.05490952 1 Hg Hg2 1 0.00000000 -0.00000000 4.10981904 1 Mo Mo3 1 -0.00000000 2.03993245 2.05490952 1 [/CIF]
CrHg2Mo
I-4m2
119
tetragonal
-42m
13,329.529751
false
[CIF] data_NaTaBeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56671784 _cell_length_b 4.56671784 _cell_length_c 4.56671784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaBeAg _chemical_formula_sum 'Na1 Ta1 Be1 Ag1' _cell_volume 67.34378755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22915715 3.22915715 3.22915715 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.61457857 1.61457857 1.61457857 1 Ta Ta3 1 4.84373573 4.84373573 4.84373573 1 [/CIF]
AgBeNaTa
F-43m
216
cubic
-43m
7,910.616459
false
[CIF] data_Li2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69930847 _cell_length_b 3.69930847 _cell_length_c 3.77570443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CuPt _chemical_formula_sum 'Li2 Cu1 Pt1' _cell_volume 51.67007396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Li Li1 1 0.00000000 1.84965424 1.88785221 1 Li Li2 1 1.84965424 0.00000000 1.88785221 1 Pt Pt3 1 1.84965424 1.84965424 0.00000000 1 [/CIF]
CuLi2Pt
P4/mmm
123
tetragonal
4/mmm
8,757.812549
false
[CIF] data_CdBP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80645546 _cell_length_b 5.80645546 _cell_length_c 5.80645546 _cell_angle_alpha 150.61174724 _cell_angle_beta 150.61174724 _cell_angle_gamma 42.04415976 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBP _chemical_formula_sum 'Cd1 B1 P1' _cell_volume 47.03060428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.73363380 1 Cd Cd1 1 0.00000000 0.00000000 7.30217029 1 P P2 1 0.00000000 -0.00000000 4.64415939 1 [/CIF]
BCdP
I4mm
107
tetragonal
4mm
5,444.286686
false
[CIF] data_TlZnCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59143870 _cell_length_b 4.59143870 _cell_length_c 4.59143870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnCuMo _chemical_formula_sum 'Tl1 Zn1 Cu1 Mo1' _cell_volume 68.44336817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.86995616 4.86995616 4.86995616 1 Tl Tl2 1 3.24663744 3.24663744 3.24663744 1 Zn Zn3 1 1.62331872 1.62331872 1.62331872 1 [/CIF]
CuMoTlZn
F-43m
216
cubic
-43m
10,414.71894
false
[CIF] data_ZrTl4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11885598 _cell_length_b 6.11885598 _cell_length_c 6.11885598 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTl4Au _chemical_formula_sum 'Zr1 Tl4 Au1' _cell_volume 161.99279438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.16334228 2.16334228 2.16334228 1 Tl Tl1 1 3.24570425 3.24570425 5.40766487 1 Tl Tl2 1 3.24570425 5.40766487 3.24570425 1 Tl Tl3 1 5.40766487 3.24570425 3.24570425 1 Tl Tl4 1 5.40766487 5.40766487 5.40766487 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuTl4Zr
F-43m
216
cubic
-43m
11,334.439425
false
[CIF] data_Li2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35631234 _cell_length_b 4.35631234 _cell_length_c 4.35631234 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AgPd _chemical_formula_sum 'Li2 Ag1 Pd1' _cell_volume 58.45774180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 4.62056700 4.62056700 4.62056700 1 Li Li1 1 1.54018900 1.54018900 1.54018900 1 Ag Ag2 1 3.08037800 3.08037800 3.08037800 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgLi2Pd
Fm-3m
225
cubic
m-3m
6,481.357632
false
[CIF] data_MnBeZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63416817 _cell_length_b 4.63416817 _cell_length_c 4.63416817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeZnPb _chemical_formula_sum 'Mn1 Be1 Zn1 Pb1' _cell_volume 70.37207755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.91527761 4.91527761 4.91527761 1 Pb Pb2 1 3.27685174 3.27685174 3.27685174 1 Zn Zn3 1 1.63842587 1.63842587 1.63842587 1 [/CIF]
BeMnPbZn
F-43m
216
cubic
-43m
7,940.956249
false
[CIF] data_YbInNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92809727 _cell_length_b 4.92809727 _cell_length_c 4.92809727 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbInNi4 _chemical_formula_sum 'Yb1 In1 Ni4' _cell_volume 84.62970300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 5.22703650 5.22703650 5.22703650 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.35872120 2.61066080 4.35872120 1 Ni Ni3 1 2.61066080 2.61066080 2.61066080 1 Ni Ni4 1 2.61066080 4.35872120 4.35872120 1 Ni Ni5 1 4.35872120 4.35872120 2.61066080 1 [/CIF]
InNi4Yb
F-43m
216
cubic
-43m
10,254.950756
false
[CIF] data_La2FeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18444247 _cell_length_b 5.18444247 _cell_length_c 5.18444247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2FeAg _chemical_formula_sum 'La2 Fe1 Ag1' _cell_volume 98.53515003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66595443 3.66595443 3.66595443 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.49893165 5.49893165 5.49893165 1 La La3 1 1.83297722 1.83297722 1.83297722 1 [/CIF]
AgFeLa2
Fm-3m
225
cubic
m-3m
7,440.730491
false
[CIF] data_TiCrHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91806443 _cell_length_b 4.12515879 _cell_length_c 5.82857053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrHg2 _chemical_formula_sum 'Ti1 Cr1 Hg2' _cell_volume 70.16129613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91428527 1 Hg Hg1 1 1.45903221 2.06257939 4.33428825 1 Hg Hg2 1 1.45903221 2.06257939 1.49428228 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHg2Ti
Pmmm
47
orthorhombic
mmm
11,858.41322
false
[CIF] data_Ta3GeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70746045 _cell_length_b 4.70746045 _cell_length_c 4.70746045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3GeAu _chemical_formula_sum 'Ta3 Ge1 Au1' _cell_volume 104.31818922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.35373023 2.35373023 2.35373023 1 Ta Ta2 1 0.00000000 2.35373023 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 2.35373023 1 Ta Ta4 1 2.35373023 0.00000000 0.00000000 1 [/CIF]
AuGeTa3
Pm-3m
221
cubic
m-3m
12,932.59902
false
[CIF] data_BeCd4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49412465 _cell_length_b 5.49412465 _cell_length_c 5.49412465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCd4Pt _chemical_formula_sum 'Be1 Cd4 Pt1' _cell_volume 117.26827277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 4.85528640 4.85528640 2.91457920 1 Cd Cd2 1 4.85528640 2.91457920 4.85528640 1 Cd Cd3 1 2.91457920 4.85528640 4.85528640 1 Cd Cd4 1 2.91457920 2.91457920 2.91457920 1 Pt Pt5 1 5.82739920 5.82739920 5.82739920 1 [/CIF]
BeCd4Pt
F-43m
216
cubic
-43m
9,257.074279
false
[CIF] data_CuMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80555946 _cell_length_b 4.80555946 _cell_length_c 5.08485155 _cell_angle_alpha 95.83038677 _cell_angle_beta 95.83038677 _cell_angle_gamma 31.63184068 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMo2W _chemical_formula_sum 'Cu1 Mo2 W1' _cell_volume 61.24119386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.98271677 -0.00000000 3.83814000 1 Mo Mo2 1 6.72768372 0.00000000 1.21829083 1 W W3 1 4.35520025 0.00000000 2.52821542 1 [/CIF]
CuMo2W
C2/m
12
monoclinic
2/m
11,911.668099
false
[CIF] data_Ba2LiTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51042396 _cell_length_b 3.77299486 _cell_length_c 10.02435864 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.19034156 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiTa _chemical_formula_sum 'Ba2 Li1 Ta1' _cell_volume 132.56496789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34126325 1.88649743 7.27487079 1 Ba Ba1 1 1.61127312 1.88649743 2.73395170 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 -0.27894380 0.00000000 5.00441124 1 [/CIF]
Ba2LiTa
P2/m
10
monoclinic
2/m
5,793.917763
false
[CIF] data_RbNaTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55196657 _cell_length_b 5.55196657 _cell_length_c 5.55196657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbNaTi2 _chemical_formula_sum 'Rb1 Na1 Ti2' _cell_volume 121.01118951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 3.92583321 3.92583321 3.92583321 1 Ti Ti2 1 5.88874982 5.88874982 5.88874982 1 Ti Ti3 1 1.96291661 1.96291661 1.96291661 1 [/CIF]
NaRbTi2
Fm-3m
225
cubic
m-3m
2,801.956408
false
[CIF] data_SrSbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01593173 _cell_length_b 5.01593173 _cell_length_c 5.01593173 _cell_angle_alpha 123.76377436 _cell_angle_beta 116.43930672 _cell_angle_gamma 89.94157720 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSbPd2 _chemical_formula_sum 'Sr1 Sb1 Pd2' _cell_volume 88.64288237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36396209 0.00000000 2.03896012 1 Pd Pd1 1 -0.00000000 2.64171186 1.50964704 1 Sb Sb2 1 0.00000000 0.00000000 3.54860716 1 Sr Sr3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Pd2SbSr
Immm
71
orthorhombic
mmm
7,909.408922
false
[CIF] data_Sc3ZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91068841 _cell_length_b 4.91068841 _cell_length_c 4.91068841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3ZnFe _chemical_formula_sum 'Sc3 Zn1 Fe1' _cell_volume 118.42056675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45534420 0.00000000 2.45534420 1 Sc Sc1 1 2.45534420 2.45534420 0.00000000 1 Sc Sc2 1 0.00000000 2.45534420 2.45534420 1 Zn Zn3 1 2.45534420 2.45534420 2.45534420 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeSc3Zn
Pm-3m
221
cubic
m-3m
3,591.031562
false
[CIF] data_SrGaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71593209 _cell_length_b 3.71593209 _cell_length_c 6.95510395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaAg2 _chemical_formula_sum 'Sr1 Ga1 Ag2' _cell_volume 96.03712763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85796604 1.85796604 5.53907365 1 Ag Ag1 1 1.85796604 1.85796604 1.41603030 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.47755197 1 [/CIF]
Ag2GaSr
P4/mmm
123
tetragonal
4/mmm
6,450.764761
false
[CIF] data_InGaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64364408 _cell_length_b 5.24870464 _cell_length_c 5.24870464 _cell_angle_alpha 38.44072850 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGaB2 _chemical_formula_sum 'In1 Ga1 B2' _cell_volume 62.40571636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.06518698 1 B B1 1 0.00000000 0.00000000 7.46587567 1 Ga Ga2 1 0.00000000 0.00000000 5.40044308 1 In In3 1 1.82182204 -0.00000000 2.84918845 1 [/CIF]
B2GaIn
Amm2
38
orthorhombic
mm2
5,485.871867
false
[CIF] data_MnBe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56569434 _cell_length_b 7.56569434 _cell_length_c 7.56569434 _cell_angle_alpha 18.38359091 _cell_angle_beta 18.38359091 _cell_angle_gamma 18.38359091 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Co _chemical_formula_sum 'Mn1 Be2 Co1' _cell_volume 37.62244075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.78381707 1 Be Be1 1 -0.00000000 -0.00000000 5.52381999 1 Co Co2 1 0.00000000 0.00000000 11.15381853 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CoMn
R-3m
166
trigonal
-3m
5,821.467151
false
[CIF] data_KSr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35499806 _cell_length_b 9.74944479 _cell_length_c 9.74944479 _cell_angle_alpha 26.84362582 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2Be _chemical_formula_sum 'K1 Sr2 Be1' _cell_volume 186.92197017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.38221772 1 K K1 1 2.17749903 -0.00000000 13.44286301 1 Sr Sr2 1 0.00000000 0.00000000 0.62312817 1 Sr Sr3 1 2.17749903 -0.00000000 7.40935097 1 [/CIF]
BeKSr2
Amm2
38
orthorhombic
mm2
1,984.170023
false
[CIF] data_NbCrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86442761 _cell_length_b 4.86442761 _cell_length_c 4.86442761 _cell_angle_alpha 141.27630181 _cell_angle_beta 141.27630181 _cell_angle_gamma 55.92044596 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrGe _chemical_formula_sum 'Nb1 Cr1 Ge1' _cell_volume 44.69962429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.57757806 1 Ge Ge1 1 0.00000000 -0.00000000 2.93929287 1 Nb Nb2 1 0.00000000 -0.00000000 5.66960531 1 [/CIF]
CrGeNb
I4mm
107
tetragonal
4mm
8,081.455994
false
[CIF] data_Nb2TlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95914067 _cell_length_b 2.95914067 _cell_length_c 9.25288096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.35474450 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TlTc _chemical_formula_sum 'Nb2 Tl1 Tc1' _cell_volume 74.93383577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.09240991 1 Nb Nb1 1 1.64712798 0.00000000 6.82109680 1 Tc Tc2 1 0.00000000 0.00000000 4.81927154 1 Tl Tl3 1 1.64712798 0.00000000 2.39942415 1 [/CIF]
Nb2TcTl
Cmm2
35
orthorhombic
mm2
10,838.540452
false
[CIF] data_Cd3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76841889 _cell_length_b 5.76841889 _cell_length_c 5.76841889 _cell_angle_alpha 150.99470352 _cell_angle_beta 63.14845446 _cell_angle_gamma 125.24721372 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3Re _chemical_formula_sum 'Cd3 Re1' _cell_volume 75.32326742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 2.37047019 2.61402452 1 Cd Cd1 1 -0.00000000 0.00000000 0.87431796 1 Cd Cd2 1 1.44455487 2.54400666 -0.03849032 1 Re Re3 1 -0.00000000 4.91447685 0.97100590 1 [/CIF]
Cd3Re
Imm2
44
orthorhombic
mm2
11,539.496344
false
[CIF] data_MgTaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63829462 _cell_length_b 6.63829462 _cell_length_c 6.63829462 _cell_angle_alpha 154.42465862 _cell_angle_beta 154.42465862 _cell_angle_gamma 36.48266368 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaAg _chemical_formula_sum 'Mg1 Ta1 Ag1' _cell_volume 54.44422070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.57301484 1 Mg Mg1 1 0.00000000 -0.00000000 4.25813627 1 Ta Ta2 1 0.00000000 0.00000000 8.38763705 1 [/CIF]
AgMgTa
I4mm
107
tetragonal
4mm
9,550.137356
false
[CIF] data_LaCd2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.16548758 _cell_length_b 10.16548758 _cell_length_c 10.16548758 _cell_angle_alpha 19.25977017 _cell_angle_beta 19.25977017 _cell_angle_gamma 19.25977017 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCd2Ag _chemical_formula_sum 'La1 Cd2 Ag1' _cell_volume 99.91296472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 -0.00000000 -0.00000000 7.80555764 1 Cd Cd2 1 -0.00000000 -0.00000000 22.11656278 1 La La3 1 0.00000000 -0.00000000 14.96106021 1 [/CIF]
AgCd2La
R-3m
166
trigonal
-3m
7,837.852037
false
[CIF] data_SrFeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48199360 _cell_length_b 3.48199360 _cell_length_c 8.42226853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFeBi2 _chemical_formula_sum 'Sr1 Fe1 Bi2' _cell_volume 102.11393710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74099680 1.74099680 6.81328837 1 Bi Bi1 1 1.74099680 1.74099680 1.60898016 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 4.21113427 1 [/CIF]
Bi2FeSr
P4/mmm
123
tetragonal
4/mmm
9,129.698652
false
[CIF] data_TiCoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75366354 _cell_length_b 3.72851954 _cell_length_c 5.37463845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoIr2 _chemical_formula_sum 'Ti1 Co1 Ir2' _cell_volume 55.18188763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37683177 1.86425977 4.09352641 1 Ir Ir1 1 0.00000000 0.00000000 5.27042652 1 Ir Ir2 1 1.37683177 1.86425977 1.34085980 1 Ti Ti3 1 0.00000000 0.00000000 2.73178334 1 [/CIF]
CoIr2Ti
Pmm2
25
orthorhombic
mm2
14,782.270174
false
[CIF] data_ZnCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07943118 _cell_length_b 4.07943118 _cell_length_c 3.12191398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2Re _chemical_formula_sum 'Zn1 Cr2 Re1' _cell_volume 51.95413930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 2.03971559 1.56095699 1 Cr Cr1 1 2.03971559 0.00000000 1.56095699 1 Re Re2 1 2.03971559 2.03971559 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2ReZn
P4/mmm
123
tetragonal
4/mmm
11,364.891437
false
[CIF] data_NaYTiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29303361 _cell_length_b 5.29303361 _cell_length_c 5.29303361 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYTiPb _chemical_formula_sum 'Na1 Y1 Ti1 Pb1' _cell_volume 104.85736929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.61410994 5.61410994 5.61410994 1 Ti Ti2 1 1.87136998 1.87136998 1.87136998 1 Y Y3 1 3.74273996 3.74273996 3.74273996 1 [/CIF]
NaPbTiY
F-43m
216
cubic
-43m
5,811.282215
false
[CIF] data_B2AsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79793532 _cell_length_b 2.79942777 _cell_length_c 6.06545164 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2AsOs _chemical_formula_sum 'B2 As1 Os1' _cell_volume 47.50836471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.39896766 0.00000000 1.93850227 1 B B2 1 1.39896766 0.00000000 4.12694937 1 Os Os3 1 0.00000000 1.39971389 3.03272582 1 [/CIF]
AsB2Os
Pmmm
47
orthorhombic
mmm
10,023.525938
false
[CIF] data_Sc2Co2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21440345 _cell_length_b 4.21440345 _cell_length_c 9.06323082 _cell_angle_alpha 98.53163199 _cell_angle_beta 98.53163199 _cell_angle_gamma 64.24405956 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Co2B _chemical_formula_sum 'Sc4 Co4 B2' _cell_volume 142.73988490 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.54651693 0.00000000 8.20585069 1 B B1 1 5.00437211 0.00000000 0.71724465 1 Co Co2 1 2.56809509 0.00000000 7.86908076 1 Co Co3 1 2.98279395 0.00000000 1.05401458 1 Co Co4 1 3.03279463 0.00000000 5.54071110 1 Co Co5 1 2.51809441 0.00000000 3.38238424 1 Sc Sc6 1 0.48979589 0.00000000 5.51743976 1 Sc Sc7 1 5.06109315 0.00000000 3.40565558 1 Sc Sc8 1 5.11697782 0.00000000 7.42703945 1 Sc Sc9 1 0.43391122 0.00000000 1.49605589 1 [/CIF]
B2Co4Sc4
C2/m
12
monoclinic
2/m
5,085.837496
false
[CIF] data_LiScTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51508962 _cell_length_b 4.51508962 _cell_length_c 4.51508962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTcPt _chemical_formula_sum 'Li1 Sc1 Tc1 Pt1' _cell_volume 65.08548241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19265049 3.19265049 3.19265049 1 Sc Sc2 1 1.59632525 1.59632525 1.59632525 1 Tc Tc3 1 4.78897574 4.78897574 4.78897573 1 [/CIF]
LiPtScTc
F-43m
216
cubic
-43m
8,824.687793
false
[CIF] data_BaCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12116708 _cell_length_b 4.12116708 _cell_length_c 4.75892419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrIr _chemical_formula_sum 'Ba1 Cr1 Ir1' _cell_volume 69.99707002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.37935693 0.00517114 1 Cr Cr1 1 0.00000000 0.00000000 2.50940923 1 Ir Ir2 1 2.06058352 1.18967847 2.24434382 1 [/CIF]
BaCrIr
P3m1
156
trigonal
3m
9,051.268017
false
[CIF] data_YMgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08194618 _cell_length_b 6.08194618 _cell_length_c 6.08194618 _cell_angle_alpha 145.53831698 _cell_angle_beta 145.53831698 _cell_angle_gamma 49.53302958 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgAs _chemical_formula_sum 'Y1 Mg1 As1' _cell_volume 71.70006788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00372396 1 Mg Mg1 1 0.00000000 0.00000000 7.07040364 1 Y Y2 1 0.00000000 -0.00000000 3.97096001 1 [/CIF]
AsMgY
I4mm
107
tetragonal
4mm
4,357.057003
false
[CIF] data_HfIr4Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15399201 _cell_length_b 5.15399201 _cell_length_c 5.15399201 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIr4Os _chemical_formula_sum 'Hf1 Ir4 Os1' _cell_volume 96.80910940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.54998574 4.54998574 2.73885966 1 Ir Ir2 1 4.54998574 2.73885966 4.54998574 1 Ir Ir3 1 2.73885966 4.54998574 4.54998574 1 Ir Ir4 1 2.73885966 2.73885966 2.73885966 1 Os Os5 1 5.46663405 5.46663405 5.46663405 1 [/CIF]
HfIr4Os
F-43m
216
cubic
-43m
19,512.722793
false
[CIF] data_SiSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41417501 _cell_length_b 4.41417501 _cell_length_c 4.41417501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSbRu2 _chemical_formula_sum 'Si1 Sb1 Ru2' _cell_volume 60.81821145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 4.68193962 4.68193962 4.68193962 1 Ru Ru1 1 1.56064654 1.56064654 1.56064654 1 Sb Sb2 1 3.12129308 3.12129308 3.12129308 1 Si Si3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Ru2SbSi
Fm-3m
225
cubic
m-3m
9,610.372611
false
[CIF] data_CdB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31828382 _cell_length_b 4.31828382 _cell_length_c 4.70003597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdB _chemical_formula_sum 'Cd2 B2' _cell_volume 75.90216776 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.15914191 1.24658116 2.16299824 1 B B1 1 0.00000000 2.49316233 4.51301623 1 Cd Cd2 1 2.15914191 1.24658116 4.28075107 1 Cd Cd3 1 0.00000000 2.49316233 1.93073309 1 [/CIF]
B2Cd2
P6_3mc
186
hexagonal
6mm
5,391.544165
false
[CIF] data_Be2TlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91498029 _cell_length_b 2.91498029 _cell_length_c 6.28615591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlNi _chemical_formula_sum 'Be2 Tl1 Ni1' _cell_volume 53.41415895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45749015 1.45749015 5.24206678 1 Be Be1 1 1.45749015 1.45749015 1.04408913 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.14307795 1 [/CIF]
Be2NiTl
P4/mmm
123
tetragonal
4/mmm
8,738.870428
false
[CIF] data_Nb2MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33557495 _cell_length_b 5.33557495 _cell_length_c 5.32107703 _cell_angle_alpha 99.52006200 _cell_angle_beta 99.52006200 _cell_angle_gamma 33.67158922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2MoPb _chemical_formula_sum 'Nb2 Mo1 Pb1' _cell_volume 82.72322155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.42989859 0.00000000 1.30797294 1 Nb Nb1 1 0.00024185 0.00000000 0.00075749 1 Nb Nb2 1 1.86489347 0.00000000 3.93299361 1 Pb Pb3 1 4.64640470 0.00000000 2.61982445 1 [/CIF]
MoNb2Pb
Cm
8
monoclinic
m
9,815.362062
false
[CIF] data_CaTl3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34280348 _cell_length_b 5.34280348 _cell_length_c 5.34280348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl3Re _chemical_formula_sum 'Ca1 Tl3 Re1' _cell_volume 152.51325867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67140174 2.67140174 2.67140174 1 Tl Tl1 1 2.67140174 0.00000000 2.67140174 1 Tl Tl2 1 2.67140174 2.67140174 0.00000000 1 Tl Tl3 1 0.00000000 2.67140174 2.67140174 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaReTl3
Pm-3m
221
cubic
m-3m
9,139.627974
false
[CIF] data_TlMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96940680 _cell_length_b 5.96940680 _cell_length_c 5.96940680 _cell_angle_alpha 151.27062987 _cell_angle_beta 122.22146794 _cell_angle_gamma 65.78931172 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMoP2 _chemical_formula_sum 'Tl1 Mo1 P2' _cell_volume 85.63084055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 -0.00000000 2.88393004 3.11739274 1 P P2 1 1.48096710 -0.00000000 1.89494220 1 Tl Tl3 1 0.00000000 0.00000000 5.01233494 1 [/CIF]
MoP2Tl
Immm
71
orthorhombic
mmm
7,025.48361
false
[CIF] data_NbAgMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57741519 _cell_length_b 4.57741519 _cell_length_c 4.57741519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAgMoW _chemical_formula_sum 'Nb1 Ag1 Mo1 W1' _cell_volume 67.81814728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85508198 4.85508198 4.85508198 1 Mo Mo1 1 3.23672132 3.23672132 3.23672132 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.61836066 1.61836066 1.61836066 1 [/CIF]
AgMoNbW
F-43m
216
cubic
-43m
11,766.951716
false
[CIF] data_HgMo4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26264324 _cell_length_b 5.26264324 _cell_length_c 5.26264324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgMo4Pd _chemical_formula_sum 'Hg1 Mo4 Pd1' _cell_volume 103.06157870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86062536 1.86062536 1.86062536 1 Mo Mo1 1 2.78916856 2.78916856 4.65333288 1 Mo Mo2 1 2.78916856 4.65333288 2.78916856 1 Mo Mo3 1 4.65333288 2.78916856 2.78916856 1 Mo Mo4 1 4.65333288 4.65333288 4.65333288 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMo4Pd
F-43m
216
cubic
-43m
11,131.048337
false
[CIF] data_YbB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21191463 _cell_length_b 3.21191463 _cell_length_c 3.21191463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbB _chemical_formula_sum 'Yb1 B1' _cell_volume 33.13538193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Yb Yb1 1 1.60595731 1.60595731 1.60595731 1 [/CIF]
BYb
Pm-3m
221
cubic
m-3m
9,214.169197
false
[CIF] data_Zn2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80245773 _cell_length_b 3.34618898 _cell_length_c 5.66274057 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.56219391 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CoPd _chemical_formula_sum 'Zn2 Co1 Pd1' _cell_volume 53.08291363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.07718896 0.00000000 2.83031792 1 Zn Zn2 1 1.28395747 1.67309449 4.34183659 1 Zn Zn3 1 1.36412234 1.67309449 1.31879926 1 [/CIF]
CoPdZn2
P2/m
10
monoclinic
2/m
9,263.00941
false
[CIF] data_KIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24401429 _cell_length_b 5.24401429 _cell_length_c 6.08704544 _cell_angle_alpha 102.51731851 _cell_angle_beta 102.51731851 _cell_angle_gamma 30.54654519 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIr2Ru _chemical_formula_sum 'K1 Ir2 Ru1' _cell_volume 82.89997119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.09417419 -0.00000000 0.01267108 1 Ir Ir1 1 7.04760096 -0.00000000 0.88213669 1 K K2 1 4.37137690 -0.00000000 2.96216473 1 Ru Ru3 1 1.72947275 -0.00000000 5.04017194 1 [/CIF]
Ir2KRu
Cm
8
monoclinic
m
10,508.117205
false
[CIF] data_CaNd2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37264399 _cell_length_b 5.37264399 _cell_length_c 5.37264399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd2Si _chemical_formula_sum 'Ca1 Nd2 Si1' _cell_volume 109.66024044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79903300 3.79903300 3.79903300 1 Nd Nd1 1 1.89951650 1.89951650 1.89951650 1 Nd Nd2 1 5.69854950 5.69854950 5.69854950 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaNd2Si
Fm-3m
225
cubic
m-3m
5,400.563635
false
[CIF] data_Zn2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06114342 _cell_length_b 5.06114342 _cell_length_c 5.06114342 _cell_angle_alpha 131.23115058 _cell_angle_beta 131.23115058 _cell_angle_gamma 71.44608569 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TePt _chemical_formula_sum 'Zn2 Te1 Pt1' _cell_volume 71.75960874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 4.10888309 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.08952775 -0.00000000 2.05444155 1 Zn Zn3 1 -0.00000000 2.08952775 2.05444154 1 [/CIF]
PtTeZn2
I4/mmm
139
tetragonal
4/mmm
10,492.831409
false
[CIF] data_SrAlAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20743571 _cell_length_b 5.20743571 _cell_length_c 5.20743571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlAgSn _chemical_formula_sum 'Sr1 Al1 Ag1 Sn1' _cell_volume 99.85199628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84110655 1.84110655 1.84110655 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.68221310 3.68221310 3.68221310 1 Sr Sr3 1 5.52331965 5.52331965 5.52331965 1 [/CIF]
AgAlSnSr
F-43m
216
cubic
-43m
5,673.820312
false
[CIF] data_InNi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77039123 _cell_length_b 7.77039123 _cell_length_c 7.77039123 _cell_angle_alpha 24.57048751 _cell_angle_beta 24.57048751 _cell_angle_gamma 24.57048751 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNi2Cl _chemical_formula_sum 'In1 Ni2 Cl1' _cell_volume 71.32717786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.63099098 1 In In1 1 -0.00000000 -0.00000000 6.06506672 1 Ni Ni2 1 -0.00000000 -0.00000000 0.32983648 1 Ni Ni3 1 -0.00000000 -0.00000000 16.86903027 1 [/CIF]
ClInNi2
R3m
160
trigonal
3m
6,231.232558
false
[CIF] data_YCuTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60726676 _cell_length_b 4.60726676 _cell_length_c 4.60726676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuTcPt _chemical_formula_sum 'Y1 Cu1 Tc1 Pt1' _cell_volume 69.15364535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 4.88674436 4.88674436 4.88674436 1 Tc Tc2 1 3.25782957 3.25782957 3.25782957 1 Y Y3 1 1.62891479 1.62891479 1.62891479 1 [/CIF]
CuPtTcY
F-43m
216
cubic
-43m
10,720.106818
false
[CIF] data_Al2VRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32886867 _cell_length_b 4.32886867 _cell_length_c 4.32886867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VRh _chemical_formula_sum 'Al2 V1 Rh1' _cell_volume 57.35987979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59145859 4.59145859 4.59145859 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.53048619 1.53048619 1.53048620 1 V V3 1 3.06097239 3.06097239 3.06097239 1 [/CIF]
Al2RhV
F-43m
216
cubic
-43m
6,015.995028
false
[CIF] data_ZnTe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60164430 _cell_length_b 3.60164430 _cell_length_c 7.19500460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTe2As _chemical_formula_sum 'Zn1 Te2 As1' _cell_volume 93.33246044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59750230 1 Te Te1 1 1.80082215 1.80082215 5.39370728 1 Te Te2 1 1.80082215 1.80082215 1.80129732 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsTe2Zn
P4/mmm
123
tetragonal
4/mmm
7,036.628571
false
[CIF] data_BaTbMn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97878803 _cell_length_b 3.97878803 _cell_length_c 7.84874700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTbMn2O5 _chemical_formula_sum 'Ba1 Tb1 Mn2 O5' _cell_volume 124.25158471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98939402 1.98939402 0.00000000 1 Tb Tb1 1 1.98939402 1.98939402 3.92437350 1 Mn Mn2 1 0.00000000 0.00000000 2.09381416 1 Mn Mn3 1 0.00000000 0.00000000 5.75493284 1 O O4 1 0.00000000 1.98939402 5.34997281 1 O O5 1 1.98939402 0.00000000 5.34997281 1 O O6 1 0.00000000 1.98939402 2.49877419 1 O O7 1 1.98939402 0.00000000 2.49877419 1 O O8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2Mn4O10Tb2
P4/mmm
123
tetragonal
4/mmm
6,496.740434
false
[CIF] data_NaCl3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57821932 _cell_length_b 4.57821932 _cell_length_c 4.57821932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCl3O _chemical_formula_sum 'Na1 Cl3 O1' _cell_volume 95.95989879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28910966 2.28910966 2.28910966 1 O O1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 0.00000000 2.28910966 0.00000000 1 Cl Cl3 1 0.00000000 0.00000000 2.28910966 1 Cl Cl4 1 2.28910966 0.00000000 0.00000000 1 [/CIF]
Cl3NaO
Pm-3m
221
cubic
m-3m
2,515.178907
false
[CIF] data_CdAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99641106 _cell_length_b 4.99641106 _cell_length_c 4.99641106 _cell_angle_alpha 129.32982458 _cell_angle_beta 129.32982458 _cell_angle_gamma 74.48044786 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAg2Mo _chemical_formula_sum 'Cd1 Ag2 Mo1' _cell_volume 72.72986251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13802145 -0.00000000 1.98883459 1 Ag Ag1 1 0.00000000 -0.00000000 3.97766917 1 Cd Cd2 1 0.00000000 2.13802145 1.98883459 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CdMo
I-4m2
119
tetragonal
-42m
9,683.05015
false
[CIF] data_Dy2LuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32496245 _cell_length_b 5.32496245 _cell_length_c 5.32496245 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2LuHg _chemical_formula_sum 'Dy2 Lu1 Hg1' _cell_volume 106.76641290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64797559 5.64797559 5.64797559 1 Dy Dy1 1 1.88265853 1.88265853 1.88265853 1 Hg Hg2 1 3.76531706 3.76531706 3.76531706 1 Lu Lu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2HgLu
Fm-3m
225
cubic
m-3m
10,895.766779
false
[CIF] data_TcMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73780149 _cell_length_b 2.73780149 _cell_length_c 7.88000390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoIr2 _chemical_formula_sum 'Tc1 Mo1 Ir2' _cell_volume 59.06501851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36890075 1.36890075 5.88041446 1 Ir Ir1 1 1.36890075 1.36890075 1.99958944 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.94000195 1 [/CIF]
Ir2MoTc
P4/mmm
123
tetragonal
4/mmm
16,286.391948
false
[CIF] data_SrInGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27581233 _cell_length_b 5.27581233 _cell_length_c 5.79372880 _cell_angle_alpha 107.87489234 _cell_angle_beta 107.87489234 _cell_angle_gamma 44.19228498 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInGe2 _chemical_formula_sum 'Sr1 In1 Ge2' _cell_volume 106.06468403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.65265071 0.00000000 5.06458078 1 Ge Ge1 1 1.25559644 -0.00000000 4.14322641 1 In In2 1 3.99282537 0.00000000 3.17843181 1 Sr Sr3 1 6.74232923 -0.00000000 1.28023994 1 [/CIF]
Ge2InSr
Cm
8
monoclinic
m
5,443.841448
false
[CIF] data_Li2MgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42600301 _cell_length_b 3.42600301 _cell_length_c 6.17204787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgAs _chemical_formula_sum 'Li2 Mg1 As1' _cell_volume 72.44439104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71300151 1.71300151 4.77000628 1 Li Li1 1 0.00000000 0.00000000 6.07851369 1 Li Li2 1 1.71300151 1.71300151 1.39485159 1 Mg Mg3 1 0.00000000 0.00000000 3.18674811 1 [/CIF]
AsLi2Mg
P4mm
99
tetragonal
4mm
2,592.626515
false
[CIF] data_CaCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83655424 _cell_length_b 5.83655424 _cell_length_c 5.83655424 _cell_angle_alpha 147.59347941 _cell_angle_beta 147.59347941 _cell_angle_gamma 46.48583550 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuTc _chemical_formula_sum 'Ca1 Cu1 Tc1' _cell_volume 56.90105026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.71373275 1 Cu Cu1 1 -0.00000000 0.00000000 3.20846626 1 Tc Tc2 1 0.00000000 0.00000000 7.52923891 1 [/CIF]
CaCuTc
I4mm
107
tetragonal
4mm
5,910.423582
false
[CIF] data_ReAg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31984420 _cell_length_b 5.31984420 _cell_length_c 2.69949844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.64664405 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAg2P _chemical_formula_sum 'Re1 Ag2 P1' _cell_volume 65.03746154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29672346 -2.32243274 1.34974922 1 Ag Ag1 1 1.29672346 2.32243274 1.34974922 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.59344692 -0.00000000 0.00000000 1 [/CIF]
Ag2PRe
Cmmm
65
orthorhombic
mmm
11,053.258278
false
[CIF] data_HfRu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15332353 _cell_length_b 6.15332353 _cell_length_c 6.15332353 _cell_angle_alpha 95.66917704 _cell_angle_beta 95.66917704 _cell_angle_gamma 143.36288968 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRu8 _chemical_formula_sum 'Hf1 Ru8' _cell_volume 131.98731287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.81473736 0.00000000 0.00000000 1 Ru Ru2 1 5.44638568 -0.00000000 0.00000000 1 Ru Ru3 1 -0.00000000 2.81473736 -0.00000000 1 Ru Ru4 1 2.68054896 2.68054896 0.00000000 1 Ru Ru5 1 1.45001256 -1.45001256 1.93398903 1 Ru Ru6 1 0.00000000 5.44638568 -0.00000000 1 Ru Ru7 1 -1.45001256 1.45001256 1.93398903 1 Ru Ru8 1 1.45001256 1.45001256 1.93398903 1 [/CIF]
HfRu8
I4/mmm
139
tetragonal
4/mmm
12,418.126031
false
[CIF] data_TiSiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89972126 _cell_length_b 3.89972126 _cell_length_c 3.89972126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiO3 _chemical_formula_sum 'Ti1 Si1 O3' _cell_volume 59.30628200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 1.94986063 1.94986063 1 O O1 1 1.94986063 0.00000000 1.94986063 1 O O2 1 1.94986063 1.94986063 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Ti Ti4 1 1.94986063 1.94986063 1.94986063 1 [/CIF]
O3SiTi
Pm-3m
221
cubic
m-3m
3,470.542626
false
[CIF] data_KSi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01249429 _cell_length_b 3.80429960 _cell_length_c 7.38936700 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.59106265 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi2Ru _chemical_formula_sum 'K1 Si2 Ru1' _cell_volume 84.28244815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03622462 0.00000000 3.60681554 1 Ru Ru1 1 0.31862546 1.90214980 6.60986484 1 Si Si2 1 1.83352753 0.00000000 6.93801600 1 Si Si3 1 2.54303631 1.90214980 1.23083586 1 [/CIF]
KRuSi2
Pm
6
monoclinic
m
3,868.291502
false
[CIF] data_Cd2NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94466643 _cell_length_b 4.94466643 _cell_length_c 4.94466643 _cell_angle_alpha 131.84515594 _cell_angle_beta 131.84515594 _cell_angle_gamma 70.47369645 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2NiRh _chemical_formula_sum 'Cd2 Ni1 Rh1' _cell_volume 65.74017928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.03867504 1 Cd Cd1 1 0.00000000 2.01727911 2.01933752 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 2.01727911 0.00000000 2.01933752 1 [/CIF]
Cd2NiRh
I-4m2
119
tetragonal
-42m
9,760.651822
false
[CIF] data_CrP2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92697946 _cell_length_b 7.92697946 _cell_length_c 7.92697946 _cell_angle_alpha 22.90841194 _cell_angle_beta 22.90841194 _cell_angle_gamma 22.90841194 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrP2Br _chemical_formula_sum 'Cr1 P2 Br1' _cell_volume 66.23327408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.57364084 1 Cr Cr1 1 0.00000000 -0.00000000 -0.00000000 1 P P2 1 0.00000000 0.00000000 6.24983619 1 P P3 1 0.00000000 -0.00000000 16.89744549 1 [/CIF]
BrCrP2
R-3m
166
trigonal
-3m
4,859.967403
false