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_ZrReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47933829 _cell_length_b 4.47933829 _cell_length_c 4.47933829 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReP2 _chemical_formula_sum 'Zr1 Re1 P2' _cell_volume 63.55161477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75105572 4.75105572 4.75105572 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.58368524 1.58368524 1.58368524 1 Zr Zr3 1 3.16737048 3.16737048 3.16737048 1 [/CIF]
P2ReZr
F-43m
216
cubic
-43m
8,867.615708
false
[CIF] data_NaCrMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57253661 _cell_length_b 4.57253661 _cell_length_c 4.57253661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrMo3 _chemical_formula_sum 'Na1 Cr1 Mo3' _cell_volume 95.60301177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.28626831 2.28626831 2.28626831 1 Mo Mo1 1 2.28626831 0.00000000 2.28626831 1 Mo Mo2 1 2.28626831 2.28626831 0.00000000 1 Mo Mo3 1 0.00000000 2.28626831 2.28626831 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrMo3Na
Pm-3m
221
cubic
m-3m
6,302.656587
false
[CIF] data_Sr2ScTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73188614 _cell_length_b 5.73188614 _cell_length_c 5.73188614 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScTi _chemical_formula_sum 'Sr2 Sc1 Ti1' _cell_volume 133.16118957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 6.07958334 6.07958334 6.07958334 1 Sr Sr2 1 2.02652778 2.02652778 2.02652778 1 Ti Ti3 1 4.05305556 4.05305556 4.05305556 1 [/CIF]
ScSr2Ti
Fm-3m
225
cubic
m-3m
3,342.782827
false
[CIF] data_Ba2GaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36806061 _cell_length_b 5.36806061 _cell_length_c 5.36806061 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2GaNi _chemical_formula_sum 'Ba2 Ga1 Ni1' _cell_volume 109.37982764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89789603 1.89789603 1.89789603 1 Ba Ba1 1 3.79579206 3.79579206 3.79579206 1 Ga Ga2 1 5.69368809 5.69368809 5.69368809 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2GaNi
F-43m
216
cubic
-43m
6,119.173528
false
[CIF] data_KSr2Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41460260 _cell_length_b 6.41460260 _cell_length_c 6.41460260 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2Li _chemical_formula_sum 'K1 Sr2 Li1' _cell_volume 186.63550702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53580900 4.53580900 4.53580900 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.26790450 2.26790450 2.26790450 1 Sr Sr3 1 6.80371350 6.80371350 6.80371350 1 [/CIF]
KLiSr2
Fm-3m
225
cubic
m-3m
1,968.772867
false
[CIF] data_K2Zn(GeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83138266 _cell_length_b 5.83138266 _cell_length_c 11.16046571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.12930974 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Zn(GeO3)2 _chemical_formula_sum 'K4 Zn2 Ge4 O12' _cell_volume 343.59173770 _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 Ge Ge0 1 5.02521214 0.45384611 9.67713926 1 Ge Ge1 1 5.02521214 -0.45384611 1.48332645 1 Ge Ge2 1 1.23008346 -0.45384611 4.09690641 1 Ge Ge3 1 1.23008346 0.45384611 7.06355930 1 K K4 1 1.90857679 -1.61481696 0.72888477 1 K K5 1 1.90857679 1.61481696 10.43158094 1 K K6 1 4.34671881 1.61481696 6.30911763 1 K K7 1 4.34671881 -1.61481696 4.85134808 1 O O8 1 3.12764780 -4.09033559 8.37034928 1 O O9 1 4.18558152 -1.08531143 9.60547222 1 O O10 1 4.32783060 2.03910076 9.53417995 1 O O11 1 5.97517008 0.00000000 0.00000000 1 O O12 1 4.32783060 -2.03910076 1.62628576 1 O O13 1 4.18558152 1.08531143 1.55499349 1 O O14 1 3.12764780 4.09033559 2.79011643 1 O O15 1 2.06971408 1.08531143 4.02523936 1 O O16 1 1.92746500 -2.03910076 3.95394709 1 O O17 1 0.28012552 -0.00000000 5.58023285 1 O O18 1 1.92746500 2.03910076 7.20651862 1 O O19 1 2.06971408 -1.08531143 7.13522635 1 Zn Zn20 1 3.12764780 -1.95372532 8.37034928 1 Zn Zn21 1 3.12764780 1.95372532 2.79011643 1 [/CIF]
Ge4K4O12Zn2
C222_1
20
orthorhombic
222
3,719.899935
false
[CIF] data_MgTiVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47492597 _cell_length_b 4.47492597 _cell_length_c 4.47492597 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiVPt _chemical_formula_sum 'Mg1 Ti1 V1 Pt1' _cell_volume 63.36399746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.74637575 4.74637575 4.74637575 1 Ti Ti2 1 1.58212525 1.58212525 1.58212525 1 V V3 1 3.16425050 3.16425050 3.16425050 1 [/CIF]
MgPtTiV
F-43m
216
cubic
-43m
8,338.794913
false
[CIF] data_NaSc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73559470 _cell_length_b 4.73559470 _cell_length_c 3.47342364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSc2Ru _chemical_formula_sum 'Na1 Sc2 Ru1' _cell_volume 77.89450245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.36779735 2.36779735 0.00000000 1 Sc Sc2 1 2.36779735 0.00000000 1.73671182 1 Sc Sc3 1 0.00000000 2.36779735 1.73671182 1 [/CIF]
NaRuSc2
P4/mmm
123
tetragonal
4/mmm
4,561.47398
false
[CIF] data_CaP2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10656362 _cell_length_b 7.10656362 _cell_length_c 7.10656362 _cell_angle_alpha 33.17082732 _cell_angle_beta 33.17082732 _cell_angle_gamma 33.17082732 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaP2Br _chemical_formula_sum 'Ca1 P2 Br1' _cell_volume 95.64001752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.06417004 1 Ca Ca1 1 -0.00000000 -0.00000000 -0.00000000 1 P P2 1 -0.00000000 0.00000000 4.94645966 1 P P3 1 0.00000000 0.00000000 15.18188041 1 [/CIF]
BrCaP2
R-3m
166
trigonal
-3m
3,158.730935
false
[CIF] data_SrP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06871840 _cell_length_b 4.28369951 _cell_length_c 4.45721752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrP2Pd _chemical_formula_sum 'Sr1 P2 Pd1' _cell_volume 77.68558858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 2.14184975 2.22860876 1 Pd Pd2 1 2.03435920 2.14184975 0.00000000 1 Sr Sr3 1 2.03435920 0.00000000 2.22860876 1 [/CIF]
P2PdSr
Pmmm
47
orthorhombic
mmm
5,471.764994
false
[CIF] data_YC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39368134 _cell_length_b 3.39368134 _cell_length_c 6.86460970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC2 _chemical_formula_sum 'Y2 C4' _cell_volume 79.06021129 _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 C C0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 1.69684067 1.69684067 0.00000000 1 C C2 1 1.69684067 0.00000000 0.43795599 1 C C3 1 0.00000000 1.69684067 6.42665371 1 Y Y4 1 1.69684067 0.00000000 4.96336646 1 Y Y5 1 0.00000000 1.69684067 1.90124324 1 [/CIF]
C4Y2
P4/nmm
129
tetragonal
4/mmm
4,743.729045
false
[CIF] data_BaCa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31758871 _cell_length_b 4.31758871 _cell_length_c 8.76594060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCa2Bi _chemical_formula_sum 'Ba1 Ca2 Bi1' _cell_volume 163.41091520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 4.38297030 1 Ca Ca2 1 2.15879435 2.15879435 5.99399091 1 Ca Ca3 1 2.15879435 2.15879435 2.77194969 1 [/CIF]
BaBiCa2
P4/mmm
123
tetragonal
4/mmm
4,333.61497
false
[CIF] data_HfMnAlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60061081 _cell_length_b 4.60061081 _cell_length_c 4.60061081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnAlSn _chemical_formula_sum 'Hf1 Mn1 Al1 Sn1' _cell_volume 68.85436672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.25312310 3.25312310 3.25312310 1 Mn Mn2 1 1.62656155 1.62656155 1.62656155 1 Sn Sn3 1 4.87968465 4.87968465 4.87968465 1 [/CIF]
AlHfMnSn
F-43m
216
cubic
-43m
9,143.107539
false
[CIF] data_FeMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81836517 _cell_length_b 4.81836517 _cell_length_c 2.70530736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.08759179 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoPd2 _chemical_formula_sum 'Fe1 Mo1 Pd2' _cell_volume 58.60198551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.72611597 0.00000000 0.00000000 1 Pd Pd2 1 1.36305799 -1.98651294 1.35265368 1 Pd Pd3 1 1.36305798 1.98651294 1.35265368 1 [/CIF]
FeMoPd2
Cmmm
65
orthorhombic
mmm
10,332.538441
false
[CIF] data_Hf2CuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54790407 _cell_length_b 5.54790407 _cell_length_c 5.54790407 _cell_angle_alpha 138.88159276 _cell_angle_beta 138.88159276 _cell_angle_gamma 59.55544553 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuSe _chemical_formula_sum 'Hf2 Cu1 Se1' _cell_volume 73.11275661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.94828552 -0.00000000 2.40767557 1 Hf Hf2 1 0.00000000 -0.00000000 4.81535114 1 Se Se3 1 -0.00000000 1.94828552 2.40767557 1 [/CIF]
CuHf2Se
I-4m2
119
tetragonal
-42m
11,344.340641
false
[CIF] data_SiWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31061284 _cell_length_b 4.31061284 _cell_length_c 4.31061284 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiWAu _chemical_formula_sum 'Si1 W1 Au1' _cell_volume 56.63723677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.57209536 4.57209536 4.57209536 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.04806357 3.04806357 3.04806357 1 [/CIF]
AuSiW
F-43m
216
cubic
-43m
11,988.248251
false
[CIF] data_NaCuMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60480464 _cell_length_b 2.60480464 _cell_length_c 10.02979930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.32736551 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCuMo2 _chemical_formula_sum 'Na1 Cu1 Mo2' _cell_volume 65.93567554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01489965 1 Mo Mo1 1 1.59780742 0.00000000 7.18432087 1 Mo Mo2 1 1.59780742 0.00000000 2.84547843 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMo2Na
Cmmm
65
orthorhombic
mmm
7,012.693498
false
[CIF] data_FeN3ClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71230815 _cell_length_b 7.71230815 _cell_length_c 6.32583700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeN3ClO3 _chemical_formula_sum 'Fe2 N6 Cl2 O6' _cell_volume 325.84973826 _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 Fe Fe0 1 3.85615408 2.22635159 1.81478142 1 Fe Fe1 1 0.00000000 4.45270319 4.97769992 1 N N2 1 0.00000000 2.74758948 4.32262787 1 N N3 1 5.33282586 1.37379474 1.15970937 1 N N4 1 3.85615408 3.93146530 1.15970937 1 N N5 1 -1.47667179 5.30526004 4.32262787 1 N N6 1 1.47667179 5.30526004 4.32262787 1 N N7 1 2.37948229 1.37379474 1.15970937 1 Cl Cl8 1 3.85615408 2.22635159 4.08948915 1 Cl Cl9 1 0.00000000 4.45270319 0.92657065 1 O O10 1 0.00000000 1.84766700 3.56739884 1 O O11 1 1.60012656 0.92383350 0.40448034 1 O O12 1 3.85615408 4.83138778 0.40448034 1 O O13 1 -2.25602752 5.75522128 3.56739884 1 O O14 1 6.11218159 0.92383350 0.40448034 1 O O15 1 2.25602752 5.75522128 3.56739884 1 [/CIF]
Cl2Fe2N6O6
P6_3mc
186
hexagonal
6mm
1,847.985499
false
[CIF] data_Ba2CaSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89663778 _cell_length_b 6.89663778 _cell_length_c 6.87220144 _cell_angle_alpha 100.98170683 _cell_angle_beta 100.98170683 _cell_angle_gamma 33.72173924 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaSc _chemical_formula_sum 'Ba2 Ca1 Sc1' _cell_volume 177.83205538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.14588420 -0.00000000 4.95664444 1 Ba Ba1 1 9.68651599 -0.00000000 1.77803625 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 5.91620010 0.00000000 3.36734034 1 [/CIF]
Ba2CaSc
C2/m
12
monoclinic
2/m
3,358.651107
false
[CIF] data_Na2MgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95208140 _cell_length_b 4.95208140 _cell_length_c 4.95208140 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgP _chemical_formula_sum 'Na2 Mg1 P1' _cell_volume 85.87135720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 3.50165034 3.50165034 3.50165034 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.75082517 1.75082517 1.75082517 1 P P3 1 5.25247551 5.25247551 5.25247551 1 [/CIF]
MgNa2P
F-43m
216
cubic
-43m
1,958.084388
false
[CIF] data_MgBiSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29757604 _cell_length_b 6.29757604 _cell_length_c 6.29757604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiSb4 _chemical_formula_sum 'Mg1 Bi1 Sb4' _cell_volume 176.60592167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.67958808 6.67958808 6.67958808 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 5.57066279 5.57066279 3.33545465 1 Sb Sb3 1 5.57066279 3.33545465 5.57066279 1 Sb Sb4 1 3.33545465 5.57066279 5.57066279 1 Sb Sb5 1 3.33545465 3.33545465 3.33545465 1 [/CIF]
BiMgSb4
F-43m
216
cubic
-43m
6,772.867274
false
[CIF] data_LaVGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66085212 _cell_length_b 4.66085212 _cell_length_c 4.66085212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVGaW _chemical_formula_sum 'La1 V1 Ga1 W1' _cell_volume 71.59471647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.64786007 1.64786007 1.64786007 1 La La1 1 4.94358021 4.94358021 4.94358021 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.29572014 3.29572014 3.29572014 1 [/CIF]
GaLaVW
F-43m
216
cubic
-43m
10,284.272555
false
[CIF] data_Ba3MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10308834 _cell_length_b 8.10308834 _cell_length_c 8.10308834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3MnSn _chemical_formula_sum 'Ba3 Mn1 Sn1' _cell_volume 532.04910976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 4.05154417 0.00000000 4.05154417 1 Ba Ba2 1 4.05154417 4.05154417 0.00000000 1 Ba Ba3 1 0.00000000 4.05154417 4.05154417 1 Sn Sn4 1 4.05154417 4.05154417 4.05154417 1 [/CIF]
Ba3MnSn
Pm-3m
221
cubic
m-3m
1,827.763434
false
[CIF] data_Y2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23974229 _cell_length_b 6.23974229 _cell_length_c 6.23974229 _cell_angle_alpha 146.63907737 _cell_angle_beta 132.69667209 _cell_angle_gamma 59.11343094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TlRe _chemical_formula_sum 'Y2 Tl1 Re1' _cell_volume 97.33754896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 5.48524760 1 Tl Tl1 1 0.00000000 2.50322961 2.29939826 1 Y Y2 1 -0.00000000 -0.00000000 10.79466972 1 Y Y3 1 1.79101739 0.00000000 3.13168875 1 [/CIF]
ReTlY2
Imm2
44
orthorhombic
mm2
9,696.707351
false
[CIF] data_HfAgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54972033 _cell_length_b 4.54972033 _cell_length_c 4.54972033 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgOs2 _chemical_formula_sum 'Hf1 Ag1 Os2' _cell_volume 66.59461425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.60856905 1.60856905 1.60856905 1 Os Os2 1 3.21713810 3.21713810 3.21713810 1 Os Os3 1 4.82570715 4.82570715 4.82570715 1 [/CIF]
AgHfOs2
F-43m
216
cubic
-43m
16,627.135451
false
[CIF] data_LaCr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70142083 _cell_length_b 3.70142083 _cell_length_c 6.97060205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCr2Pb _chemical_formula_sum 'La1 Cr2 Pb1' _cell_volume 95.50084604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.85071041 1.85071041 5.01354607 1 Cr Cr1 1 1.85071041 1.85071041 1.95705598 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 3.48530103 1 [/CIF]
Cr2LaPb
P4/mmm
123
tetragonal
4/mmm
7,826.158572
false
[CIF] data_TcMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44852590 _cell_length_b 4.44852590 _cell_length_c 4.44852590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoPt2 _chemical_formula_sum 'Tc1 Mo1 Pt2' _cell_volume 62.24914238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.14558283 3.14558283 3.14558283 1 Pt Pt2 1 4.71837425 4.71837425 4.71837425 1 Tc Tc3 1 1.57279142 1.57279142 1.57279142 1 [/CIF]
MoPt2Tc
F-43m
216
cubic
-43m
15,606.193231
false
[CIF] data_SbAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55328562 _cell_length_b 4.55328562 _cell_length_c 4.55328562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsRh2 _chemical_formula_sum 'Sb1 As1 Rh2' _cell_volume 66.75129321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.82948871 4.82948871 4.82948871 1 Rh Rh2 1 1.60982957 1.60982957 1.60982957 1 Sb Sb3 1 3.21965914 3.21965914 3.21965914 1 [/CIF]
AsRh2Sb
Fm-3m
225
cubic
m-3m
10,012.610306
false
[CIF] data_TaBBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16649650 _cell_length_b 4.16649650 _cell_length_c 4.16649650 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBBr _chemical_formula_sum 'Ta1 B1 Br1' _cell_volume 51.14439748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.47307897 1.47307897 1.47307897 1 Ta Ta2 1 2.94615793 2.94615793 2.94615793 1 [/CIF]
BBrTa
F-43m
216
cubic
-43m
8,820.258863
false
[CIF] data_ZrTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35933407 _cell_length_b 4.14369333 _cell_length_c 7.59814297 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.10883039 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe2Rh _chemical_formula_sum 'Zr1 Te2 Rh1' _cell_volume 103.41332341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.07330154 2.07184666 5.11193973 1 Te Te1 1 1.12555339 0.00000000 6.79085730 1 Te Te2 1 1.13151286 2.07184666 2.48139746 1 Zr Zr3 1 -0.59634163 0.00000000 4.18853369 1 [/CIF]
RhTe2Zr
Pm
6
monoclinic
m
7,215.019921
false
[CIF] data_CdNiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40169862 _cell_length_b 4.40169862 _cell_length_c 4.40169862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiRh2 _chemical_formula_sum 'Cd1 Ni1 Rh2' _cell_volume 60.30397103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66870641 4.66870641 4.66870641 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.55623547 1.55623547 1.55623547 1 Rh Rh3 1 3.11247094 3.11247094 3.11247094 1 [/CIF]
CdNiRh2
F-43m
216
cubic
-43m
10,378.798208
false
[CIF] data_La2NbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51219982 _cell_length_b 5.51219982 _cell_length_c 5.51219982 _cell_angle_alpha 122.74164272 _cell_angle_beta 122.74164272 _cell_angle_gamma 85.31350570 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbHg _chemical_formula_sum 'La2 Nb1 Hg1' _cell_volume 113.10892749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.05381652 1 La La1 1 2.64110947 -0.00000000 2.02690826 1 La La2 1 0.00000000 2.64110947 2.02690826 1 Nb Nb3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
HgLa2Nb
I4/mmm
139
tetragonal
4/mmm
8,387.519434
false
[CIF] data_NaYNbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85634166 _cell_length_b 4.85634166 _cell_length_c 4.85634166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYNbRe _chemical_formula_sum 'Na1 Y1 Nb1 Re1' _cell_volume 80.98651335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 5.15092818 5.15092818 5.15092818 1 Re Re2 1 1.71697606 1.71697606 1.71697606 1 Y Y3 1 3.43395212 3.43395212 3.43395212 1 [/CIF]
NaNbReY
F-43m
216
cubic
-43m
8,017.207951
false
[CIF] data_Hg2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89464203 _cell_length_b 3.04365504 _cell_length_c 10.40167377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2WBr _chemical_formula_sum 'Hg2 W1 Br1' _cell_volume 91.64178116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.44732102 1.52182752 3.11721541 1 Hg Hg2 1 1.44732102 1.52182752 7.28445836 1 W W3 1 0.00000000 0.00000000 5.20083688 1 [/CIF]
BrHg2W
Pmmm
47
orthorhombic
mmm
12,048.350265
false
[CIF] data_LiAlZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49257534 _cell_length_b 4.49257534 _cell_length_c 4.49257534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlZnGa _chemical_formula_sum 'Li1 Al1 Zn1 Ga1' _cell_volume 64.11669233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.17673049 3.17673049 3.17673049 1 Ga Ga1 1 1.58836525 1.58836525 1.58836525 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.76509574 4.76509574 4.76509574 1 [/CIF]
AlGaLiZn
F-43m
216
cubic
-43m
4,377.541946
false
[CIF] data_SrBe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07786552 _cell_length_b 3.07786552 _cell_length_c 7.38787326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Ag _chemical_formula_sum 'Sr1 Be2 Ag1' _cell_volume 69.98721595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53893276 1.53893276 6.14199369 1 Be Be1 1 0.00000000 0.00000000 0.20685358 1 Be Be2 1 1.53893276 1.53893276 1.20483683 1 Sr Sr3 1 0.00000000 0.00000000 3.52812579 1 [/CIF]
AgBe2Sr
P4mm
99
tetragonal
4mm
5,065.887409
false
[CIF] data_ZrScMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01759310 _cell_length_b 5.01759310 _cell_length_c 5.01759310 _cell_angle_alpha 145.91739801 _cell_angle_beta 121.36747511 _cell_angle_gamma 69.58878202 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScMo _chemical_formula_sum 'Zr1 Sc1 Mo1' _cell_volume 59.54206546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.22966984 1 Sc Sc1 1 -0.00000000 -0.00000000 2.72740020 1 Zr Zr2 1 0.00000000 0.00000000 5.52482165 1 [/CIF]
MoScZr
Imm2
44
orthorhombic
mm2
6,474.034614
false
[CIF] data_Hf2AlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30611018 _cell_length_b 5.47445213 _cell_length_c 5.47445213 _cell_angle_alpha 35.21972411 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2AlIr _chemical_formula_sum 'Hf2 Al1 Ir1' _cell_volume 74.42633697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.39650684 1 Hf Hf1 1 2.15305509 -0.00000000 9.44665279 1 Hf Hf2 1 0.00000000 -0.00000000 6.28304708 1 Ir Ir3 1 2.15305509 -0.00000000 1.74256867 1 [/CIF]
AlHf2Ir
Amm2
38
orthorhombic
mm2
12,855.231161
false
[CIF] data_HfGaIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52012397 _cell_length_b 4.52012397 _cell_length_c 4.52012397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaIrPd _chemical_formula_sum 'Hf1 Ga1 Ir1 Pd1' _cell_volume 65.30343708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.19621031 3.19621031 3.19621031 1 Ir Ir2 1 1.59810516 1.59810516 1.59810516 1 Pd Pd3 1 4.79431547 4.79431547 4.79431547 1 [/CIF]
GaHfIrPd
F-43m
216
cubic
-43m
13,905.32917
false
[CIF] data_VInTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80200048 _cell_length_b 4.80200048 _cell_length_c 4.80200048 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInTe _chemical_formula_sum 'V1 In1 Te1' _cell_volume 78.29816762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09329065 5.09329065 5.09329065 1 Te Te1 1 1.69776355 1.69776355 1.69776355 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InTeV
F-43m
216
cubic
-43m
6,221.536533
false
[CIF] data_Be2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11932179 _cell_length_b 3.11932179 _cell_length_c 6.45614967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PdPb _chemical_formula_sum 'Be2 Pd1 Pb1' _cell_volume 62.81942370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55966089 1.55966089 6.44782543 1 Be Be1 1 0.00000000 0.00000000 1.16094341 1 Pb Pb2 1 1.55966089 1.55966089 3.09365231 1 Pd Pd3 1 0.00000000 0.00000000 5.43795302 1 [/CIF]
Be2PbPd
P4mm
99
tetragonal
4mm
8,766.530959
false
[CIF] data_RbP(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90169140 _cell_length_b 6.21691300 _cell_length_c 7.54626903 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.14092766 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbP(HO2)2 _chemical_formula_sum 'Rb2 P2 H4 O8' _cell_volume 218.52988032 _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 Rb Rb0 1 -0.31970810 1.55422825 5.32686766 1 Rb Rb1 1 2.87182845 4.66268475 1.84430325 1 P P2 1 2.13526831 4.66268475 5.39618420 1 P P3 1 0.41685204 1.55422825 1.77498671 1 H H4 1 0.12120435 4.66268475 4.43749187 1 H H5 1 2.43091600 1.55422825 2.73367903 1 H H6 1 0.00000000 0.00000000 0.00000000 1 H H7 1 0.00000000 3.10845650 0.00000000 1 O O8 1 1.10727161 4.66268475 4.18039822 1 O O9 1 1.44484874 1.55422825 2.99077268 1 O O10 1 -1.38061738 4.66268475 4.77729780 1 O O11 1 3.93273773 1.55422825 2.39387310 1 O O12 1 1.83096576 5.93859424 6.24076885 1 O O13 1 0.72115459 2.83013774 0.93040206 1 O O14 1 0.72115459 0.27831876 0.93040206 1 O O15 1 1.83096576 3.38677526 6.24076885 1 [/CIF]
H4O8P2Rb2
P2_1/m
11
monoclinic
2/m
2,772.835684
false
[CIF] data_LiCrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59510971 _cell_length_b 6.59510971 _cell_length_c 6.59510971 _cell_angle_alpha 32.67868806 _cell_angle_beta 32.67868806 _cell_angle_gamma 32.67868806 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrSe2 _chemical_formula_sum 'Li1 Cr1 Se2' _cell_volume 74.38057971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.35615167 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.00000000 0.00000000 4.52105192 1 Se Se3 1 0.00000000 -0.00000000 14.19125142 1 [/CIF]
CrLiSe2
R-3m
166
trigonal
-3m
4,846.670064
false
[CIF] data_SrHfTaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95999455 _cell_length_b 4.95999455 _cell_length_c 4.95999455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfTaW _chemical_formula_sum 'Sr1 Hf1 Ta1 W1' _cell_volume 86.28366812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75362289 1.75362289 1.75362289 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.50724578 3.50724578 3.50724578 1 W W3 1 5.26086867 5.26086867 5.26086867 1 [/CIF]
HfSrTaW
F-43m
216
cubic
-43m
12,141.701896
false
[CIF] data_NbPb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08525101 _cell_length_b 5.21651442 _cell_length_c 5.75356009 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.11443717 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPb2Au _chemical_formula_sum 'Nb1 Pb2 Au1' _cell_volume 92.53622309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43648523 0.00000000 2.87482133 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.19826750 2.60825721 1.42320335 1 Pb Pb3 1 0.67470295 2.60825721 4.32643930 1 [/CIF]
AuNbPb2
P2/m
10
monoclinic
2/m
12,637.999546
false
[CIF] data_ZrSc4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70716548 _cell_length_b 5.70716548 _cell_length_c 5.70716548 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc4Mo _chemical_formula_sum 'Zr1 Sc4 Mo1' _cell_volume 131.44570404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01778770 2.01778770 2.01778770 1 Sc Sc1 1 3.03520986 3.03520986 5.03594096 1 Sc Sc2 1 3.03520986 5.03594096 3.03520986 1 Sc Sc3 1 5.03594096 3.03520986 3.03520986 1 Sc Sc4 1 5.03594096 5.03594096 5.03594096 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoSc4Zr
F-43m
216
cubic
-43m
4,636.367097
false
[CIF] data_CaHfGaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76063388 _cell_length_b 4.76063388 _cell_length_c 4.76063388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfGaOs _chemical_formula_sum 'Ca1 Hf1 Ga1 Os1' _cell_volume 76.29206173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 5.04941475 5.04941475 5.04941475 1 Hf Hf2 1 3.36627650 3.36627650 3.36627650 1 Os Os3 1 1.68313825 1.68313825 1.68313825 1 [/CIF]
CaGaHfOs
F-43m
216
cubic
-43m
10,415.27515
false
[CIF] data_GeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46788739 _cell_length_b 3.46788739 _cell_length_c 3.46788739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeSe _chemical_formula_sum 'Ge1 Se1' _cell_volume 41.70565627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.73394370 1.73394370 1.73394370 1 [/CIF]
GeSe
Pm-3m
221
cubic
m-3m
6,036.092769
false
[CIF] data_KSrZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34755582 _cell_length_b 5.34755582 _cell_length_c 5.34755582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrZrRu _chemical_formula_sum 'K1 Sr1 Zr1 Ru1' _cell_volume 108.13118961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 5.67193947 5.67193947 5.67193947 1 Sr Sr2 1 3.78129298 3.78129298 3.78129298 1 Zr Zr3 1 1.89064649 1.89064649 1.89064649 1 [/CIF]
KRuSrZr
F-43m
216
cubic
-43m
4,898.978627
false
[CIF] data_FeAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40391137 _cell_length_b 6.40391137 _cell_length_c 3.90727386 _cell_angle_alpha 101.18823901 _cell_angle_beta 101.18823901 _cell_angle_gamma 26.12611813 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAsAu2 _chemical_formula_sum 'Fe1 As1 Au2' _cell_volume 69.14645934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.84905007 -0.00000000 1.91448874 1 Au Au1 1 8.39913252 -0.00000000 0.79735554 1 Au Au2 1 3.29896762 -0.00000000 3.03162194 1 Fe Fe3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AsAu2Fe
C2/m
12
monoclinic
2/m
12,600.564389
false
[CIF] data_CaZrVSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94497979 _cell_length_b 4.94497979 _cell_length_c 4.94497979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrVSn _chemical_formula_sum 'Ca1 Zr1 V1 Sn1' _cell_volume 85.50245099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.49662874 3.49662874 3.49662874 1 V V2 1 5.24494311 5.24494311 5.24494311 1 Zr Zr3 1 1.74831437 1.74831437 1.74831437 1 [/CIF]
CaSnVZr
F-43m
216
cubic
-43m
5,844.803724
false
[CIF] data_AgAsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77896083 _cell_length_b 7.77896083 _cell_length_c 5.15800273 _cell_angle_alpha 98.85054233 _cell_angle_beta 98.85054233 _cell_angle_gamma 88.23298173 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsO3 _chemical_formula_sum 'Ag4 As4 O12' _cell_volume 304.72545222 _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 Ag Ag0 1 5.30836725 -2.96379570 1.25954050 1 Ag Ag1 1 5.30836725 1.04141851 1.25954050 1 Ag Ag2 1 4.75566575 -1.04141851 3.77862150 1 Ag Ag3 1 4.75566575 2.96379570 3.77862150 1 As As4 1 8.56295255 -0.96020846 1.15586016 1 As As5 1 8.01025105 0.96020846 3.67494116 1 As As6 1 2.05378195 -0.96020846 1.36322084 1 As As7 1 1.50108045 0.96020846 3.88230184 1 O O8 1 8.96820259 0.46043393 2.22397570 1 O O9 1 8.41550109 -0.46043393 4.74305670 1 O O10 1 6.89967060 -0.96649538 0.87211088 1 O O11 1 6.88368320 3.06849097 0.79383296 1 O O12 1 6.34696910 0.96649538 3.39119188 1 O O13 1 6.33098170 -3.06849097 3.31291396 1 O O14 1 3.73305130 3.06849097 1.72524804 1 O O15 1 3.71706390 -0.96649538 1.64697012 1 O O16 1 3.18034980 -3.06849097 4.24432904 1 O O17 1 3.16436240 0.96649538 4.16605112 1 O O18 1 1.64853191 0.46043393 0.29510530 1 O O19 1 1.09583041 -0.46043393 2.81418630 1 [/CIF]
Ag4As4O12
C2/c
15
monoclinic
2/m
5,030.528133
false
[CIF] data_Nb2ReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32944847 _cell_length_b 3.32944847 _cell_length_c 5.79108312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ReSi _chemical_formula_sum 'Nb2 Re1 Si1' _cell_volume 64.19547162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66472424 1.66472424 5.69297250 1 Nb Nb1 1 0.00000000 0.00000000 1.46478174 1 Re Re2 1 1.66472424 1.66472424 3.01406164 1 Si Si3 1 0.00000000 0.00000000 4.30589192 1 [/CIF]
Nb2ReSi
P4mm
99
tetragonal
4mm
10,350.044092
false
[CIF] data_LiNiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60370591 _cell_length_b 3.60370591 _cell_length_c 7.72247591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.95656666 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiTe2 _chemical_formula_sum 'Li1 Ni1 Te2' _cell_volume 90.17286119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 0.00000000 3.86123796 1 Te Te2 1 1.91083140 0.00000000 5.55076502 1 Te Te3 1 1.91083140 0.00000000 2.17171089 1 [/CIF]
LiNiTe2
Cmmm
65
orthorhombic
mmm
5,908.186211
false
[CIF] data_AgPt2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03008433 _cell_length_b 3.77205204 _cell_length_c 5.89120999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPt2Se _chemical_formula_sum 'Ag1 Pt2 Se1' _cell_volume 67.33438448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94560500 1 Pt Pt1 1 1.51504217 1.88602602 4.46047362 1 Pt Pt2 1 1.51504217 1.88602602 1.43073637 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPt2Se
Pmmm
47
orthorhombic
mmm
14,229.353083
false
[CIF] data_Sr2ZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38755113 _cell_length_b 4.38755113 _cell_length_c 9.32101233 _cell_angle_alpha 103.06415547 _cell_angle_beta 103.06415547 _cell_angle_gamma 59.90012145 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrSi _chemical_formula_sum 'Sr2 Zr1 Si1' _cell_volume 149.86303741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 5.10343286 0.00000000 2.88773677 1 Sr Sr1 1 0.03923067 0.00000000 0.90724162 1 Sr Sr2 1 0.04458675 -0.00000000 6.10510411 1 Zr Zr3 1 2.57018136 -0.00000000 3.59727494 1 [/CIF]
SiSr2Zr
Cm
8
monoclinic
m
3,263.719729
false
[CIF] data_ZnIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22711252 _cell_length_b 3.86150122 _cell_length_c 5.21261841 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.72731283 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIrSe2 _chemical_formula_sum 'Zn1 Ir1 Se2' _cell_volume 77.89336286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.06481855 0.00000000 2.38600019 1 Se Se1 1 2.32494043 1.93075061 1.50771657 1 Se Se2 1 -0.19530334 1.93075061 3.26428380 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSe2Zn
P2/m
10
monoclinic
2/m
8,858.035986
false
[CIF] data_GaCo2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74508064 _cell_length_b 2.74508064 _cell_length_c 7.25265960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCo2Ag _chemical_formula_sum 'Ga1 Co2 Ag1' _cell_volume 54.65218230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37254032 1.37254032 5.52681687 1 Co Co1 1 0.00000000 0.00000000 0.28585096 1 Co Co2 1 1.37254032 1.37254032 1.71962561 1 Ga Ga3 1 0.00000000 0.00000000 3.34669597 1 [/CIF]
AgCo2Ga
P4mm
99
tetragonal
4mm
8,977.113997
false
[CIF] data_LaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44400722 _cell_length_b 9.44400722 _cell_length_c 3.78830879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.13808363 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCo2 _chemical_formula_sum 'La2 Co4' _cell_volume 114.79505605 _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 1.62872625 -0.53259181 0.94707720 1 Co Co1 1 1.62872625 0.53259181 2.84123159 1 Co Co2 1 1.62872625 4.69553892 0.94707720 1 Co Co3 1 1.62872625 -4.69553892 2.84123159 1 La La4 1 1.62872625 -7.12976303 0.94707720 1 La La5 1 1.62872625 7.12976303 2.84123159 1 [/CIF]
Co4La2
Cmcm
63
orthorhombic
mmm
7,428.537768
false
[CIF] data_CrHg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35174286 _cell_length_b 6.35174286 _cell_length_c 3.43322936 _cell_angle_alpha 105.32984036 _cell_angle_beta 105.32984036 _cell_angle_gamma 122.20401283 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg2Bi _chemical_formula_sum 'Cr1 Hg2 Bi1' _cell_volume 98.10869998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06949070 -0.00000000 0.00000000 1 Cr Cr1 1 -0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 0.59562684 2.78041652 1.43694899 1 Hg Hg3 1 0.59562684 -2.78041653 1.43694899 1 [/CIF]
BiCrHg2
C2/m
12
monoclinic
2/m
11,207.33163
false
[CIF] data_ZnSiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41292852 _cell_length_b 4.41292852 _cell_length_c 4.41292852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSiIr3 _chemical_formula_sum 'Zn1 Si1 Ir3' _cell_volume 85.93709694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 2.20646426 2.20646426 2.20646426 1 Ir Ir1 1 0.00000000 2.20646426 0.00000000 1 Ir Ir2 1 0.00000000 0.00000000 2.20646426 1 Ir Ir3 1 2.20646426 0.00000000 0.00000000 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir3SiZn
Pm-3m
221
cubic
m-3m
12,948.478213
false
[CIF] data_CrCuGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61703086 _cell_length_b 4.61703086 _cell_length_c 4.61703086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuGe3 _chemical_formula_sum 'Cr1 Cu1 Ge3' _cell_volume 98.42112663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30851543 0.00000000 2.30851543 1 Ge Ge2 1 2.30851543 2.30851543 0.00000000 1 Ge Ge3 1 0.00000000 2.30851543 2.30851543 1 Cu Cu4 1 2.30851543 2.30851543 2.30851543 1 [/CIF]
CrCuGe3
Pm-3m
221
cubic
m-3m
5,626.097397
false
[CIF] data_TaCdInCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60744074 _cell_length_b 4.60744074 _cell_length_c 4.60744074 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdInCo _chemical_formula_sum 'Ta1 Cd1 In1 Co1' _cell_volume 69.16147965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.25795259 3.25795259 3.25795259 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.62897629 1.62897629 1.62897630 1 Ta Ta3 1 4.88692889 4.88692889 4.88692889 1 [/CIF]
CdCoInTa
F-43m
216
cubic
-43m
11,215.123388
false
[CIF] data_SbRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32889237 _cell_length_b 6.32889237 _cell_length_c 6.32889237 _cell_angle_alpha 153.03051821 _cell_angle_beta 142.05585309 _cell_angle_gamma 47.16739366 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbRu2Cl _chemical_formula_sum 'Sb1 Ru2 Cl1' _cell_volume 70.45217073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.50848456 1 Ru Ru1 1 1.47581158 -0.00000000 0.62573777 1 Ru Ru2 1 -0.00000000 -0.00000000 2.93118309 1 Sb Sb3 1 1.47581158 -0.00000000 5.33544004 1 [/CIF]
ClRu2Sb
Imm2
44
orthorhombic
mm2
8,469.855351
false
[CIF] data_BaZrCrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87747792 _cell_length_b 4.87747792 _cell_length_c 4.87747792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrCrCu _chemical_formula_sum 'Ba1 Zr1 Cr1 Cu1' _cell_volume 82.04855511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44889771 3.44889771 3.44889771 1 Cr Cr1 1 -0.00000000 -0.00000000 0.00000000 1 Cu Cu2 1 5.17334657 5.17334657 5.17334657 1 Zr Zr3 1 1.72444885 1.72444885 1.72444885 1 [/CIF]
BaCrCuZr
F-43m
216
cubic
-43m
6,963.925621
false
[CIF] data_VZnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69647874 _cell_length_b 2.69647874 _cell_length_c 8.60146291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnGa2 _chemical_formula_sum 'V1 Zn1 Ga2' _cell_volume 62.54121613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.53222948 1 Ga Ga1 1 1.34823937 1.34823937 2.38348834 1 V V2 1 0.00000000 0.00000000 4.31564811 1 Zn Zn3 1 1.34823937 1.34823937 6.27229135 1 [/CIF]
Ga2VZn
P4mm
99
tetragonal
4mm
6,790.912489
false
[CIF] data_GaOsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45415516 _cell_length_b 4.45415516 _cell_length_c 4.45415516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOsBr _chemical_formula_sum 'Ga1 Os1 Br1' _cell_volume 62.48575586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.57478166 1.57478166 1.57478166 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.14956332 3.14956332 3.14956332 1 [/CIF]
BrGaOs
F-43m
216
cubic
-43m
9,031.591565
false
[CIF] data_ZrOs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75539817 _cell_length_b 4.75539817 _cell_length_c 3.01021245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.61421030 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs2Pd _chemical_formula_sum 'Zr1 Os2 Pd1' _cell_volume 64.88084831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.40404461 1.91888293 1.50510622 1 Os Os1 1 1.40404461 -1.91888293 1.50510622 1 Pd Pd2 1 2.80808922 -0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2PdZr
Cmmm
65
orthorhombic
mmm
14,795.803408
false
[CIF] data_OsPb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23258162 _cell_length_b 3.23258162 _cell_length_c 8.79549154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPb2Au _chemical_formula_sum 'Os1 Pb2 Au1' _cell_volume 91.90922705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61629081 1.61629081 4.71064116 1 Os Os1 1 0.00000000 0.00000000 6.36597501 1 Pb Pb2 1 1.61629081 1.61629081 8.22964810 1 Pb Pb3 1 0.00000000 0.00000000 2.68246467 1 [/CIF]
AuOsPb2
P4mm
99
tetragonal
4mm
14,482.576572
false
[CIF] data_Be2VIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75316356 _cell_length_b 2.75316356 _cell_length_c 5.85962194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.48570643 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VIr _chemical_formula_sum 'Be2 V1 Ir1' _cell_volume 44.40047310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92137724 0.00000000 5.63628069 1 Be Be1 1 0.00000000 0.00000000 4.50026032 1 Ir Ir2 1 1.92137724 0.00000000 3.12462166 1 V V3 1 0.00000000 0.00000000 1.38789218 1 [/CIF]
Be2IrV
Cmm2
35
orthorhombic
mm2
9,768.011891
false
[CIF] data_Na2GeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59070947 _cell_length_b 4.59070947 _cell_length_c 4.59070947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GeIr _chemical_formula_sum 'Na2 Ge1 Ir1' _cell_volume 68.41076218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.24612180 3.24612180 3.24612180 1 Ir Ir1 1 4.86918270 4.86918270 4.86918270 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 1.62306090 1.62306090 1.62306090 1 [/CIF]
GeIrNa2
F-43m
216
cubic
-43m
7,544.964061
false
[CIF] data_TiInFeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46740224 _cell_length_b 4.46740224 _cell_length_c 4.46740224 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInFeRh _chemical_formula_sum 'Ti1 In1 Fe1 Rh1' _cell_volume 63.04493130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57946521 1.57946521 1.57946521 1 In In1 1 4.73839563 4.73839563 4.73839563 1 Rh Rh2 1 3.15893042 3.15893042 3.15893042 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeInRhTi
F-43m
216
cubic
-43m
8,466.282604
false
[CIF] data_CrFeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11761649 _cell_length_b 4.11761649 _cell_length_c 4.11761649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeSn _chemical_formula_sum 'Cr1 Fe1 Sn1' _cell_volume 49.36540275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.36739181 4.36739181 4.36739181 1 Sn Sn2 1 2.91159454 2.91159454 2.91159454 1 [/CIF]
CrFeSn
F-43m
216
cubic
-43m
7,620.660041
false
[CIF] data_YSi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78058413 _cell_length_b 3.78058413 _cell_length_c 5.66844195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2Se _chemical_formula_sum 'Y1 Si2 Se1' _cell_volume 81.01799986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.89029207 1.89029207 1.20236587 1 Si Si2 1 1.89029207 1.89029207 4.46607608 1 Y Y3 1 0.00000000 0.00000000 2.83422098 1 [/CIF]
SeSi2Y
P4/mmm
123
tetragonal
4/mmm
4,591.843077
false
[CIF] data_YTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46050553 _cell_length_b 3.46050553 _cell_length_c 5.71582100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.10075238 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTh _chemical_formula_sum 'Y1 Th1' _cell_volume 64.67911507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Th Th1 1 2.00704800 0.00000000 2.85791050 1 [/CIF]
ThY
Cmmm
65
orthorhombic
mmm
8,239.75251
false
[CIF] data_CdInPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75136124 _cell_length_b 4.75136124 _cell_length_c 4.75136124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdInPdAu _chemical_formula_sum 'Cd1 In1 Pd1 Au1' _cell_volume 75.84713012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03957963 5.03957963 5.03957963 1 Cd Cd1 1 3.35971975 3.35971975 3.35971975 1 In In2 1 1.67985988 1.67985988 1.67985988 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCdInPd
F-43m
216
cubic
-43m
11,616.891506
false
[CIF] data_LaPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75696724 _cell_length_b 4.75696724 _cell_length_c 4.75696724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPdW _chemical_formula_sum 'La1 Pd1 W1' _cell_volume 76.11591677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.04552569 5.04552569 5.04552569 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.68184190 1.68184190 1.68184190 1 [/CIF]
LaPdW
F-43m
216
cubic
-43m
9,362.64134
false
[CIF] data_LiBW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63797948 _cell_length_b 3.63797948 _cell_length_c 3.63797948 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBW _chemical_formula_sum 'Li1 B1 W1' _cell_volume 34.04597198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.28621998 1.28621998 1.28621998 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 2.57243996 2.57243996 2.57243996 1 [/CIF]
BLiW
F-43m
216
cubic
-43m
9,832.334694
false
[CIF] data_NiP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43477555 _cell_length_b 4.43477555 _cell_length_c 3.34512524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.92374783 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiP2Se _chemical_formula_sum 'Ni1 P2 Se1' _cell_volume 61.03157881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.24117048 1.83747228 1.67256262 1 P P2 1 1.24117049 -1.83747228 1.67256262 1 Se Se3 1 2.48234097 -0.00000000 0.00000000 1 [/CIF]
NiP2Se
Cmmm
65
orthorhombic
mmm
5,430.715352
false
[CIF] data_SrNpFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69172845 _cell_length_b 4.69172845 _cell_length_c 4.69172845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNpFe2 _chemical_formula_sum 'Sr1 Np1 Fe2' _cell_volume 73.02702437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97632950 4.97632950 4.97632950 1 Fe Fe1 1 1.65877650 1.65877650 1.65877650 1 Np Np2 1 3.31755300 3.31755300 3.31755300 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2NpSr
Fm-3m
225
cubic
m-3m
9,921.119016
false
[CIF] data_ZrSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01109876 _cell_length_b 5.64168103 _cell_length_c 5.64168103 _cell_angle_alpha 38.35767739 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnP2 _chemical_formula_sum 'Zr1 Sn1 P2' _cell_volume 79.22646765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.51303094 1 P P1 1 2.00554938 -0.00000000 7.78323943 1 Sn Sn2 1 2.00554938 0.00000000 5.29077931 1 Zr Zr3 1 0.00000000 -0.00000000 3.05572602 1 [/CIF]
P2SnZr
Amm2
38
orthorhombic
mm2
5,698.480491
false
[CIF] data_FeSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08070895 _cell_length_b 3.08070895 _cell_length_c 7.72437318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiSn2 _chemical_formula_sum 'Fe1 Si1 Sn2' _cell_volume 73.31023097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86218659 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.54035448 1.54035448 2.23649431 1 Sn Sn3 1 1.54035448 1.54035448 5.48787887 1 [/CIF]
FeSiSn2
P4/mmm
123
tetragonal
4/mmm
7,278.862066
false
[CIF] data_NbFe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07342702 _cell_length_b 5.07342702 _cell_length_c 5.07342702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFe7 _chemical_formula_sum 'Nb1 Fe7' _cell_volume 92.33986917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58745465 1.79372733 1.79372732 1 Fe Fe1 1 1.79372733 3.58745465 1.79372732 1 Fe Fe2 1 1.79372733 1.79372733 3.58745465 1 Fe Fe3 1 -0.00000000 1.79372733 1.79372733 1 Fe Fe4 1 1.79372733 0.00000000 1.79372733 1 Fe Fe5 1 1.79372732 1.79372733 0.00000000 1 Fe Fe6 1 0.00000000 0.00000000 0.00000000 1 Nb Nb7 1 3.58745465 3.58745465 3.58745465 1 [/CIF]
Fe7Nb
Fm-3m
225
cubic
m-3m
8,700.513765
false
[CIF] data_KBeMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56674936 _cell_length_b 4.56674936 _cell_length_c 4.56674936 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeMoPd _chemical_formula_sum 'K1 Be1 Mo1 Pd1' _cell_volume 67.34518213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 4.84376916 4.84376916 4.84376916 1 Mo Mo2 1 3.22917944 3.22917944 3.22917944 1 Pd Pd3 1 1.61458972 1.61458972 1.61458972 1 [/CIF]
BeKMoPd
F-43m
216
cubic
-43m
6,176.376959
false
[CIF] data_NbInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00630291 _cell_length_b 6.00630291 _cell_length_c 6.00630291 _cell_angle_alpha 149.89604736 _cell_angle_beta 149.89604736 _cell_angle_gamma 43.09401534 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInOs _chemical_formula_sum 'Nb1 In1 Os1' _cell_volume 54.36843842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07368552 1 Nb Nb1 1 -0.00000000 0.00000000 3.49495978 1 Os Os2 1 0.00000000 0.00000000 7.60447834 1 [/CIF]
InNbOs
I4mm
107
tetragonal
4mm
12,154.456039
false
[CIF] data_KCaTaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22627525 _cell_length_b 5.22627525 _cell_length_c 5.22627525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaTaZn _chemical_formula_sum 'K1 Ca1 Ta1 Zn1' _cell_volume 100.93966027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.84776734 1.84776734 1.84776734 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta2 1 5.54330201 5.54330201 5.54330201 1 Zn Zn3 1 3.69553467 3.69553467 3.69553467 1 [/CIF]
CaKTaZn
F-43m
216
cubic
-43m
5,354.807078
false
[CIF] data_Ba2CaLa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54431867 _cell_length_b 6.54431867 _cell_length_c 6.54431867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaLa _chemical_formula_sum 'Ba2 Ca1 La1' _cell_volume 198.18843970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.31376606 2.31376606 2.31376605 1 Ba Ba1 1 6.94129817 6.94129817 6.94129817 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 4.62753211 4.62753211 4.62753211 1 [/CIF]
Ba2CaLa
Fm-3m
225
cubic
m-3m
3,800.840968
false
[CIF] data_TlGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42785716 _cell_length_b 3.42785716 _cell_length_c 7.65501336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGa2Ge _chemical_formula_sum 'Tl1 Ga2 Ge1' _cell_volume 89.94797403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.71392858 1.71392858 6.13380206 1 Ga Ga1 1 1.71392858 1.71392858 1.52121130 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.82750668 1 [/CIF]
Ga2GeTl
P4/mmm
123
tetragonal
4/mmm
7,688.483817
false
[CIF] data_Y2TeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42634258 _cell_length_b 6.42634258 _cell_length_c 6.42634258 _cell_angle_alpha 131.81858583 _cell_angle_beta 131.81858583 _cell_angle_gamma 70.51570219 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TeBr2 _chemical_formula_sum 'Y2 Te1 Br2' _cell_volume 144.42739356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.80382087 1 Br Br1 1 -0.00000000 0.00000000 3.69119937 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 2.62311994 2.62375506 1 Y Y4 1 2.62311994 0.00000000 2.62375506 1 [/CIF]
Br2TeY2
I4/mmm
139
tetragonal
4/mmm
5,348.815535
false
[CIF] data_ZrGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68262084 _cell_length_b 4.68262084 _cell_length_c 4.68262084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Ag _chemical_formula_sum 'Zr1 Ga2 Ag1' _cell_volume 72.60256815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31111295 3.31111295 3.31111295 1 Ga Ga1 1 1.65555648 1.65555648 1.65555648 1 Ga Ga2 1 4.96666943 4.96666943 4.96666943 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Zr
Fm-3m
225
cubic
m-3m
7,742.920408
false
[CIF] data_KTePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21112364 _cell_length_b 5.21112364 _cell_length_c 5.21112364 _cell_angle_alpha 128.52525343 _cell_angle_beta 115.93940154 _cell_angle_gamma 86.54412601 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTePd2 _chemical_formula_sum 'K1 Te1 Pd2' _cell_volume 94.92114825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 -0.00000000 2.76381143 1.47086162 1 Pd Pd2 1 2.26291352 -0.00000000 2.32339435 1 Te Te3 1 0.00000000 -0.00000000 3.79425597 1 [/CIF]
KPd2Te
Immm
71
orthorhombic
mmm
6,639.597034
false
[CIF] data_NaSr2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78886335 _cell_length_b 5.78886335 _cell_length_c 4.02616602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Mo _chemical_formula_sum 'Na1 Sr2 Mo1' _cell_volume 134.92060320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89443167 2.89443167 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.89443167 2.01308301 1 Sr Sr3 1 2.89443167 0.00000000 2.01308301 1 [/CIF]
MoNaSr2
P4/mmm
123
tetragonal
4/mmm
3,620.897089
false
[CIF] data_BeZn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99528308 _cell_length_b 4.99528308 _cell_length_c 4.99528308 _cell_angle_alpha 149.72702227 _cell_angle_beta 130.01630210 _cell_angle_gamma 59.55979016 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZn2Cr _chemical_formula_sum 'Be1 Zn2 Cr1' _cell_volume 47.74024495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 4.33560493 1 Zn Zn2 1 0.00000000 2.11045377 2.37505999 1 Zn Zn3 1 1.30436491 0.00000000 1.96054494 1 [/CIF]
BeCrZn2
Immm
71
orthorhombic
mmm
6,670.236492
false
[CIF] data_LiMn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10862497 _cell_length_b 4.10862497 _cell_length_c 4.10862497 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2Tc _chemical_formula_sum 'Li1 Mn2 Tc1' _cell_volume 49.04271525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.90523658 2.90523658 2.90523658 1 Mn Mn2 1 1.45261829 1.45261829 1.45261829 1 Tc Tc3 1 4.35785487 4.35785487 4.35785487 1 [/CIF]
LiMn2Tc
F-43m
216
cubic
-43m
7,304.182666
false
[CIF] data_NaCaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04847245 _cell_length_b 8.04847245 _cell_length_c 8.04847245 _cell_angle_alpha 153.77618192 _cell_angle_beta 153.77618192 _cell_angle_gamma 37.42500135 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaBi _chemical_formula_sum 'Na1 Ca1 Bi1' _cell_volume 101.64981737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.20247817 1 Ca Ca1 1 0.00000000 -0.00000000 5.38225531 1 Na Na2 1 0.00000000 0.00000000 9.90739711 1 [/CIF]
BiCaNa
I4mm
107
tetragonal
4mm
4,444.145841
false
[CIF] data_Al4Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02372487 _cell_length_b 5.02372487 _cell_length_c 8.45557311 _cell_angle_alpha 98.54874086 _cell_angle_beta 98.54874086 _cell_angle_gamma 34.28917603 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4Ag3 _chemical_formula_sum 'Al4 Ag3' _cell_volume 118.75963664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.74101524 0.00000000 7.02897927 1 Ag Ag1 1 2.54458792 0.00000000 1.32365503 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Al Al3 1 7.69143847 0.00000000 3.63166028 1 Al Al4 1 3.16749747 0.00000000 6.00690358 1 Al Al5 1 5.11810570 0.00000000 2.34573072 1 Al Al6 1 0.59416470 0.00000000 4.72097401 1 [/CIF]
Ag3Al4
C2/m
12
monoclinic
2/m
6,033.817421
false
[CIF] data_Mn2ZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96838005 _cell_length_b 2.96838005 _cell_length_c 6.09283226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnTc _chemical_formula_sum 'Mn2 Zn1 Tc1' _cell_volume 53.68565177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.48419002 1.48419002 0.06723581 1 Mn Mn1 1 0.00000000 0.00000000 1.57493615 1 Tc Tc2 1 1.48419002 1.48419002 2.88666481 1 Zn Zn3 1 0.00000000 0.00000000 4.61041162 1 [/CIF]
Mn2TcZn
P4mm
99
tetragonal
4mm
8,480.053386
false
[CIF] data_AgTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82960697 _cell_length_b 4.82960697 _cell_length_c 3.60871884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTe2Rh _chemical_formula_sum 'Ag1 Te2 Rh1' _cell_volume 84.17374039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41480349 2.41480349 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.41480349 1.80435942 1 Te Te3 1 2.41480349 0.00000000 1.80435942 1 [/CIF]
AgRhTe2
P4/mmm
123
tetragonal
4/mmm
9,192.505041
false
[CIF] data_NaHfBeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58852466 _cell_length_b 4.58852466 _cell_length_c 4.58852466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfBeAg _chemical_formula_sum 'Na1 Hf1 Be1 Ag1' _cell_volume 68.31313421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86686535 4.86686535 4.86686535 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.24457690 3.24457690 3.24457690 1 Na Na3 1 1.62228845 1.62228845 1.62228845 1 [/CIF]
AgBeHfNa
F-43m
216
cubic
-43m
7,738.621197
false
[CIF] data_BeAlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16350579 _cell_length_b 4.16350579 _cell_length_c 4.16350579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlV2 _chemical_formula_sum 'Be1 Al1 V2' _cell_volume 51.03434202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94404318 2.94404317 2.94404318 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.47202159 1.47202159 1.47202159 1 V V3 1 4.41606476 4.41606476 4.41606476 1 [/CIF]
AlBeV2
Fm-3m
225
cubic
m-3m
4,486.188552
false