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_Tc2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57573705 _cell_length_b 4.57573705 _cell_length_c 4.57573705 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2GeBi _chemical_formula_sum 'Tc2 Ge1 Bi1' _cell_volume 67.74358554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23553470 3.23553470 3.23553470 1 Ge Ge1 1 -0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.61776735 1.61776735 1.61776735 1 Tc Tc3 1 4.85330204 4.85330204 4.85330204 1 [/CIF]
BiGeTc2
Fm-3m
225
cubic
m-3m
11,751.917879
false
[CIF] data_NaAlCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80680613 _cell_length_b 4.80680613 _cell_length_c 4.80680613 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlCdMo _chemical_formula_sum 'Na1 Al1 Cd1 Mo1' _cell_volume 78.53347613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 5.09838782 5.09838782 5.09838782 1 Cd Cd1 1 3.39892521 3.39892521 3.39892521 1 Mo Mo2 1 1.69946261 1.69946261 1.69946261 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCdMoNa
F-43m
216
cubic
-43m
5,462.47939
false
[CIF] data_AlVSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00258689 _cell_length_b 6.92387191 _cell_length_c 2.95442256 _cell_angle_alpha 79.24814105 _cell_angle_beta 76.26417450 _cell_angle_gamma 24.48768445 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVSb _chemical_formula_sum 'Al1 V1 Sb1' _cell_volume 57.52139533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.95350859 2.21639727 12.89553004 1 Sb Sb1 1 1.95350859 2.21639727 9.14447987 1 V V2 1 1.95350859 2.21639727 4.53029121 1 [/CIF]
AlSbV
Fmm2
42
orthorhombic
mm2
5,764.489624
false
[CIF] data_NaMnCuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31234090 _cell_length_b 4.31234090 _cell_length_c 4.31234090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnCuOs _chemical_formula_sum 'Na1 Mn1 Cu1 Os1' _cell_volume 56.70537897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.57392824 4.57392824 4.57392824 1 Mn Mn1 1 3.04928549 3.04928549 3.04928549 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.52464275 1.52464275 1.52464274 1 [/CIF]
CuMnNaOs
F-43m
216
cubic
-43m
9,713.490187
false
[CIF] data_ScAlNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27366582 _cell_length_b 4.27366582 _cell_length_c 4.27366582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlNi2 _chemical_formula_sum 'Sc1 Al1 Ni2' _cell_volume 55.19334056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.51096904 1.51096904 1.51096904 1 Ni Ni2 1 4.53290712 4.53290712 4.53290712 1 Sc Sc3 1 3.02193808 3.02193808 3.02193808 1 [/CIF]
AlNi2Sc
Fm-3m
225
cubic
m-3m
5,696.038067
false
[CIF] data_Mn2NiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11125544 _cell_length_b 3.95818736 _cell_length_c 4.91089550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NiCl _chemical_formula_sum 'Mn2 Ni1 Cl1' _cell_volume 60.47734393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.55562772 0.00000000 2.45544775 1 Mn Mn2 1 1.55562772 1.97909368 0.00000000 1 Ni Ni3 1 0.00000000 1.97909368 2.45544775 1 [/CIF]
ClMn2Ni
Pmmm
47
orthorhombic
mmm
5,601.888131
false
[CIF] data_Ca2GaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01799292 _cell_length_b 5.01799292 _cell_length_c 5.01799292 _cell_angle_alpha 121.68832832 _cell_angle_beta 121.68832832 _cell_angle_gamma 87.09978749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GaOs _chemical_formula_sum 'Ca2 Ga1 Os1' _cell_volume 86.94485772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44469920 -0.00000000 1.81845708 1 Ca Ca1 1 0.00000000 2.44469919 1.81845708 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 -0.00000000 3.63691416 1 [/CIF]
Ca2GaOs
I4/mmm
139
tetragonal
4/mmm
6,495.669647
false
[CIF] data_GdIn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33215199 _cell_length_b 5.33215199 _cell_length_c 5.33215199 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdIn2Pb _chemical_formula_sum 'Gd1 In2 Pb1' _cell_volume 107.19945120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.88520041 1.88520041 1.88520041 1 In In2 1 5.65560124 5.65560124 5.65560124 1 Pb Pb3 1 3.77040083 3.77040083 3.77040083 1 [/CIF]
GdIn2Pb
Fm-3m
225
cubic
m-3m
9,202.50058
false
[CIF] data_KBe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29426013 _cell_length_b 5.29426013 _cell_length_c 3.74293106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe2Co _chemical_formula_sum 'K1 Be2 Co1' _cell_volume 104.91132705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 2.64713006 1.87146553 1 Be Be1 1 2.64713006 0.00000000 1.87146553 1 Co Co2 1 2.64713006 2.64713006 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CoK
P4/mmm
123
tetragonal
4/mmm
1,836.934993
false
[CIF] data_TcGeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29170827 _cell_length_b 4.29170827 _cell_length_c 2.85621748 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcGeMo _chemical_formula_sum 'Tc1 Ge1 Mo1' _cell_volume 45.55985061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.14585414 1.23890946 1.42810874 1 Tc Tc2 1 0.00000000 2.47781893 0.00000000 1 [/CIF]
GeMoTc
P-6m2
187
hexagonal
-6m2
9,749.911146
false
[CIF] data_Te2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84982916 _cell_length_b 5.84982916 _cell_length_c 5.84982916 _cell_angle_alpha 147.71723036 _cell_angle_beta 131.40598435 _cell_angle_gamma 59.54824266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PtRh _chemical_formula_sum 'Te2 Pt1 Rh1' _cell_volume 79.50548548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40701026 0.11524195 1 Rh Rh1 1 0.00000000 -0.00000000 7.65332336 1 Te Te2 1 0.00000000 2.40701026 4.79989617 1 Te Te3 1 0.00000000 -0.00000000 2.66431521 1 [/CIF]
PtRhTe2
Imm2
44
orthorhombic
mm2
11,553.828902
false
[CIF] data_Tl4NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34464084 _cell_length_b 6.34464084 _cell_length_c 6.34464084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4NiBi _chemical_formula_sum 'Tl4 Ni1 Bi1' _cell_volume 180.59516908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.72950784 6.72950784 6.72950784 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.61078818 5.61078818 3.36188894 1 Tl Tl3 1 5.61078818 3.36188894 5.61078818 1 Tl Tl4 1 3.36188894 5.61078818 5.61078818 1 Tl Tl5 1 3.36188894 3.36188894 3.36188894 1 [/CIF]
BiNiTl4
F-43m
216
cubic
-43m
9,978.276983
false
[CIF] data_Ti3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75730108 _cell_length_b 5.09082169 _cell_length_c 5.25509834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Rh _chemical_formula_sum 'Ti6 Rh2' _cell_volume 127.27097501 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 2.37865054 0.00000000 1.87338459 1 Rh Rh1 1 0.00000000 2.54541085 3.38171375 1 Ti Ti2 1 0.00000000 0.00000000 3.29124739 1 Ti Ti3 1 2.37865054 1.27786782 4.54501516 1 Ti Ti4 1 0.00000000 1.26754302 0.71008318 1 Ti Ti5 1 2.37865054 2.54541085 1.96385095 1 Ti Ti6 1 2.37865054 3.81295387 4.54501516 1 Ti Ti7 1 0.00000000 3.82327867 0.71008318 1 [/CIF]
Rh2Ti6
Pmmn
59
orthorhombic
mmm
6,432.474857
false
[CIF] data_KTiReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59224675 _cell_length_b 4.59224675 _cell_length_c 4.59224675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiReNi _chemical_formula_sum 'K1 Ti1 Re1 Ni1' _cell_volume 68.47951084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.87081323 4.87081323 4.87081323 1 Re Re2 1 3.24720882 3.24720882 3.24720882 1 Ti Ti3 1 1.62360441 1.62360441 1.62360441 1 [/CIF]
KNiReTi
F-43m
216
cubic
-43m
8,047.311567
false
[CIF] data_CaHfV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33656589 _cell_length_b 5.33656589 _cell_length_c 5.33656589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfV4 _chemical_formula_sum 'Ca1 Hf1 V4' _cell_volume 107.46588770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.88676097 1.88676097 1.88676096 1 V V2 1 2.88315930 2.88315930 4.66388456 1 V V3 1 2.88315930 4.66388456 2.88315930 1 V V4 1 4.66388456 2.88315930 2.88315930 1 V V5 1 4.66388456 4.66388456 4.66388456 1 [/CIF]
CaHfV4
F-43m
216
cubic
-43m
6,525.811317
false
[CIF] data_HgI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14944100 _cell_length_b 9.14944100 _cell_length_c 13.24801800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgI2 _chemical_formula_sum 'Hg8 I16' _cell_volume 1109.02166790 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.30440566 4.57472050 11.62253918 1 Hg Hg1 1 4.57472050 6.84503534 1.62547882 1 Hg Hg2 1 6.87912616 0.00000000 8.24948782 1 Hg Hg3 1 4.57472050 2.30440566 1.62547882 1 Hg Hg4 1 6.84503534 4.57472050 11.62253918 1 Hg Hg5 1 0.00000000 6.87912616 4.99853018 1 Hg Hg6 1 0.00000000 2.27031484 4.99853018 1 Hg Hg7 1 2.27031484 0.00000000 8.24948782 1 I I8 1 0.00000000 0.00000000 10.00288949 1 I I9 1 4.57472050 0.00000000 3.34508480 1 I I10 1 2.21437516 6.93506584 0.00000000 1 I I11 1 6.78909566 2.36034534 6.62400900 1 I I12 1 0.00000000 0.00000000 3.24512851 1 I I13 1 2.36034534 2.36034534 6.62400900 1 I I14 1 2.36034534 6.78909566 6.62400900 1 I I15 1 4.57472050 0.00000000 9.96909380 1 I I16 1 4.57472050 4.57472050 3.37888049 1 I I17 1 6.78909566 6.78909566 6.62400900 1 I I18 1 4.57472050 4.57472050 9.86913751 1 I I19 1 0.00000000 4.57472050 3.27892420 1 I I20 1 2.21437516 2.21437516 0.00000000 1 I I21 1 6.93506584 6.93506584 0.00000000 1 I I22 1 6.93506584 2.21437516 0.00000000 1 I I23 1 0.00000000 4.57472050 9.90293320 1 [/CIF]
Hg8I16
P4_2/nmc
137
tetragonal
4/mmm
5,442.975289
false
[CIF] data_TePdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28219983 _cell_length_b 6.28219983 _cell_length_c 6.28219983 _cell_angle_alpha 146.23390933 _cell_angle_beta 144.14697859 _cell_angle_gamma 50.07115972 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePdCl _chemical_formula_sum 'Te1 Pd1 Cl1' _cell_volume 80.32197884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.36804232 1 Pd Pd1 1 -0.00000000 0.00000000 8.84616951 1 Te Te2 1 -0.00000000 -0.00000000 2.55361549 1 [/CIF]
ClPdTe
Imm2
44
orthorhombic
mm2
5,570.958913
false
[CIF] data_Li2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78645000 _cell_length_b 4.31537239 _cell_length_c 4.62485538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PdRh _chemical_formula_sum 'Li2 Pd1 Rh1' _cell_volume 55.61189446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 1.39322500 0.00000000 2.31242769 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.15768620 2.31242769 1 Rh Rh3 1 1.39322500 2.15768620 0.00000000 1 [/CIF]
Li2PdRh
Pmmm
47
orthorhombic
mmm
6,664.847103
false
[CIF] data_HfZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52945143 _cell_length_b 5.52945143 _cell_length_c 5.52842949 _cell_angle_alpha 99.67849353 _cell_angle_beta 99.67849353 _cell_angle_gamma 33.53368748 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3 _chemical_formula_sum 'Hf1 Zr3' _cell_volume 91.92654621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.80902361 0.00000000 2.72127113 1 Zr Zr1 1 7.71242455 -0.00000000 1.38452071 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.90562266 -0.00000000 4.05802156 1 [/CIF]
HfZr3
C2/m
12
monoclinic
2/m
8,167.74584
false
[CIF] data_NaHg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43783743 _cell_length_b 5.43783743 _cell_length_c 6.21263888 _cell_angle_alpha 99.60230372 _cell_angle_beta 99.60230372 _cell_angle_gamma 37.65980447 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHg2Pb _chemical_formula_sum 'Na1 Hg2 Pb1' _cell_volume 110.48364561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78831003 -0.00000000 4.63769237 1 Hg Hg1 1 7.41038963 0.00000000 1.47770079 1 Na Na2 1 0.00000000 -0.00000000 0.00000000 1 Pb Pb3 1 4.59934983 -0.00000000 3.05769658 1 [/CIF]
Hg2NaPb
C2/m
12
monoclinic
2/m
9,489.315469
false
[CIF] data_Ni2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62705034 _cell_length_b 2.62705034 _cell_length_c 8.68025283 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.28344911 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2IrPd _chemical_formula_sum 'Ni2 Ir1 Pd1' _cell_volume 53.24129670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.34012641 1 Ni Ni1 1 1.36708524 0.00000000 6.44820663 1 Ni Ni2 1 1.36708524 0.00000000 2.23204620 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNi2Pd
Cmmm
65
orthorhombic
mmm
12,975.337105
false
[CIF] data_MgMnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36550904 _cell_length_b 4.36550904 _cell_length_c 2.71431484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnCu _chemical_formula_sum 'Mg1 Mn1 Cu1' _cell_volume 44.79820747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18275454 1.26021390 2.69098745 1 Mg Mg1 1 0.00000000 0.00000000 0.81624955 1 Mn Mn2 1 0.00000002 2.52042781 1.92139269 1 [/CIF]
CuMgMn
P3m1
156
trigonal
3m
5,292.773995
false
[CIF] data_TiAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58791318 _cell_length_b 4.58791318 _cell_length_c 4.58791318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAg2Mo _chemical_formula_sum 'Ti1 Ag2 Mo1' _cell_volume 68.28582714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86621678 4.86621678 4.86621678 1 Ag Ag1 1 3.24414452 3.24414452 3.24414452 1 Mo Mo2 1 1.62207226 1.62207226 1.62207226 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2MoTi
F-43m
216
cubic
-43m
8,743.674897
false
[CIF] data_SrFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64067837 _cell_length_b 4.64067837 _cell_length_c 4.64067837 _cell_angle_alpha 123.19330438 _cell_angle_beta 123.19330438 _cell_angle_gamma 84.55265903 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFe3 _chemical_formula_sum 'Sr1 Fe3' _cell_volume 66.92748660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.20745750 0.00000000 1.71684002 1 Fe Fe2 1 0.00000000 2.20745750 1.71684002 1 Sr Sr3 1 0.00000000 -0.00000000 3.43368003 1 [/CIF]
Fe3Sr
I4/mmm
139
tetragonal
4/mmm
6,330.655267
false
[CIF] data_KAlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29692697 _cell_length_b 5.29692697 _cell_length_c 5.29692697 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlCl _chemical_formula_sum 'K1 Al1 Cl1' _cell_volume 105.08892705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 5.61823947 5.61823947 5.61823947 1 K K2 1 3.74549298 3.74549298 3.74549298 1 [/CIF]
AlClK
F-43m
216
cubic
-43m
1,604.348334
false
[CIF] data_CaAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16531377 _cell_length_b 4.16531377 _cell_length_c 4.30379808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAg2Ir _chemical_formula_sum 'Ca1 Ag2 Ir1' _cell_volume 74.67020293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08265689 0.00000000 2.15189904 1 Ag Ag1 1 0.00000000 2.08265689 2.15189904 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 2.08265689 2.08265689 0.00000000 1 [/CIF]
Ag2CaIr
P4/mmm
123
tetragonal
4/mmm
9,963.46084
false
[CIF] data_Na2AlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89510597 _cell_length_b 5.89510597 _cell_length_c 4.31299980 _cell_angle_alpha 110.10519462 _cell_angle_beta 110.10519462 _cell_angle_gamma 30.12427882 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlIr _chemical_formula_sum 'Na2 Al1 Ir1' _cell_volume 70.29711704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.92491804 -0.00000000 2.01523982 1 Na Na2 1 1.54856721 0.00000000 2.96386343 1 Na Na3 1 8.30126888 0.00000000 1.06661622 1 [/CIF]
AlIrNa2
C2/m
12
monoclinic
2/m
6,263.963236
false
[CIF] data_Be2TcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12448068 _cell_length_b 3.22480152 _cell_length_c 3.62653387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TcB _chemical_formula_sum 'Be2 Tc1 B1' _cell_volume 36.54033893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56224034 0.00000000 1.81326694 1 Be Be1 1 1.56224034 1.61240076 0.00000000 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 1.61240076 1.81326694 1 [/CIF]
BBe2Tc
Pmmm
47
orthorhombic
mmm
5,805.0873
false
[CIF] data_Bi2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73110789 _cell_length_b 5.73110789 _cell_length_c 5.73110789 _cell_angle_alpha 135.29179915 _cell_angle_beta 135.29179915 _cell_angle_gamma 65.07714617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2MoP _chemical_formula_sum 'Bi2 Mo1 P1' _cell_volume 91.82031712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.17970998 -0.00000000 2.41574660 1 Bi Bi1 1 0.00000000 -0.00000000 4.83149319 1 Mo Mo2 1 -0.00000000 2.17970998 2.41574660 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2MoP
I-4m2
119
tetragonal
-42m
9,854.232001
false
[CIF] data_La2TiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28420898 _cell_length_b 5.28420898 _cell_length_c 5.28420898 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiV _chemical_formula_sum 'La2 Ti1 V1' _cell_volume 104.33378320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60475000 5.60475000 5.60475000 1 La La1 1 1.86825000 1.86825000 1.86825000 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.73650000 3.73650000 3.73650000 1 [/CIF]
La2TiV
Fm-3m
225
cubic
m-3m
5,994.139905
false
[CIF] data_Y2MgCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43849464 _cell_length_b 4.43849464 _cell_length_c 10.70095297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgCu _chemical_formula_sum 'Y4 Mg2 Cu2' _cell_volume 210.81128469 _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 Cu Cu0 1 2.21924732 0.00000000 1.76131094 1 Cu Cu1 1 0.00000000 2.21924732 8.93964203 1 Mg Mg2 1 2.21924732 0.00000000 7.99312947 1 Mg Mg3 1 0.00000000 2.21924732 2.70782350 1 Y Y4 1 2.21924732 0.00000000 4.47741291 1 Y Y5 1 0.00000000 2.21924732 6.22354006 1 Y Y6 1 0.00000000 0.00000000 0.00000000 1 Y Y7 1 2.21924732 2.21924732 0.00000000 1 [/CIF]
Cu2Mg2Y4
P4/nmm
129
tetragonal
4/mmm
4,185.196182
false
[CIF] data_Al2HgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99836389 _cell_length_b 4.99836389 _cell_length_c 4.99836389 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2HgSb _chemical_formula_sum 'Al2 Hg1 Sb1' _cell_volume 88.30160809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 5.30156550 5.30156550 5.30156550 1 Al Al1 1 1.76718850 1.76718850 1.76718850 1 Hg Hg2 1 3.53437700 3.53437700 3.53437700 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2HgSb
Fm-3m
225
cubic
m-3m
7,076.683873
false
[CIF] data_KMgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59119762 _cell_length_b 5.59119762 _cell_length_c 3.13377436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.77488792 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgZn2 _chemical_formula_sum 'K1 Mg1 Zn2' _cell_volume 97.91945700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.89186578 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.94593289 2.00716663 1.56688718 1 Zn Zn3 1 1.94593289 -2.00716663 1.56688718 1 [/CIF]
KMgZn2
Cmmm
65
orthorhombic
mmm
3,292.662713
false
[CIF] data_KTc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83647585 _cell_length_b 3.83647585 _cell_length_c 7.30470368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTc2Bi _chemical_formula_sum 'K1 Tc2 Bi1' _cell_volume 107.51462405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.65235184 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.91823793 1.91823793 2.55635227 1 Tc Tc3 1 1.91823793 1.91823793 4.74835141 1 [/CIF]
BiKTc2
P4/mmm
123
tetragonal
4/mmm
6,886.687253
false
[CIF] data_Sr2BeIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77601406 _cell_length_b 5.77601406 _cell_length_c 5.77601406 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BeIn _chemical_formula_sum 'Sr2 Be1 In1' _cell_volume 136.26042128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.08425871 4.08425871 4.08425871 1 Sr Sr2 1 6.12638807 6.12638807 6.12638807 1 Sr Sr3 1 2.04212936 2.04212936 2.04212936 1 [/CIF]
BeInSr2
Fm-3m
225
cubic
m-3m
3,644.621939
false
[CIF] data_GaSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65916403 _cell_length_b 4.39746671 _cell_length_c 4.52009793 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.69258503 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSi2Pd _chemical_formula_sum 'Ga1 Si2 Pd1' _cell_volume 69.66813325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.18041333 0.00000000 2.16480977 1 Si Si2 1 0.29615706 2.19873335 3.00953222 1 Si Si3 1 2.06466960 2.19873335 1.32008732 1 [/CIF]
GaPdSi2
P2/m
10
monoclinic
2/m
5,537.201225
false
[CIF] data_NbRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33866341 _cell_length_b 3.33866341 _cell_length_c 7.20208071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRuPb2 _chemical_formula_sum 'Nb1 Ru1 Pb2' _cell_volume 80.27924122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.66933171 1.66933171 1.92662479 1 Pb Pb2 1 1.66933171 1.66933171 5.27545592 1 Ru Ru3 1 0.00000000 0.00000000 3.60104035 1 [/CIF]
NbPb2Ru
P4/mmm
123
tetragonal
4/mmm
12,583.984736
false
[CIF] data_ScPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52349987 _cell_length_b 5.52349987 _cell_length_c 5.52349987 _cell_angle_alpha 137.98705205 _cell_angle_beta 137.98705205 _cell_angle_gamma 60.92282953 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPCl2 _chemical_formula_sum 'Sc1 P1 Cl2' _cell_volume 74.66370286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76109539 1 Cl Cl1 1 0.00000000 1.98002797 2.38054770 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.98002797 -0.00000000 2.38054770 1 [/CIF]
Cl2PSc
I-4m2
119
tetragonal
-42m
3,265.661408
false
[CIF] data_NaGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42019825 _cell_length_b 4.42019825 _cell_length_c 4.42019825 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaCu2 _chemical_formula_sum 'Na1 Ga1 Cu2' _cell_volume 61.06751509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.56277608 1.56277608 1.56277608 1 Cu Cu1 1 4.68832824 4.68832824 4.68832824 1 Ga Ga2 1 3.12555216 3.12555216 3.12555216 1 Na Na3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cu2GaNa
Fm-3m
225
cubic
m-3m
5,976.899598
false
[CIF] data_ScGe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23828213 _cell_length_b 5.23828213 _cell_length_c 3.21274945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.08643616 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe2Br _chemical_formula_sum 'Sc1 Ge2 Br1' _cell_volume 83.31027103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03866830 0.00000000 0.00000000 1 Ge Ge1 1 1.51933415 -2.13343003 1.60637472 1 Ge Ge2 1 1.51933415 2.13343003 1.60637472 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrGe2Sc
Cmmm
65
orthorhombic
mmm
5,384.424655
false
[CIF] data_ScNi3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91554003 _cell_length_b 3.91554003 _cell_length_c 3.91554003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNi3B _chemical_formula_sum 'Sc1 Ni3 B1' _cell_volume 60.03092078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95777001 1.95777001 1.95777001 1 Ni Ni1 1 0.00000000 1.95777001 0.00000000 1 Ni Ni2 1 0.00000000 0.00000000 1.95777001 1 Ni Ni3 1 1.95777001 0.00000000 0.00000000 1 B B4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BNi3Sc
Pm-3m
221
cubic
m-3m
6,413.214755
false
[CIF] data_ReOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74142177 _cell_length_b 4.74142177 _cell_length_c 4.74142177 _cell_angle_alpha 131.85339617 _cell_angle_beta 131.85339617 _cell_angle_gamma 70.46067047 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReOs3 _chemical_formula_sum 'Re1 Os3' _cell_volume 57.94830407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 1.93404994 1.93649051 1 Os Os1 1 1.93404994 0.00000000 1.93649051 1 Os Os2 1 0.00000000 -0.00000000 3.87298102 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os3Re
I4/mmm
139
tetragonal
4/mmm
21,689.280785
false
[CIF] data_TiNbAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18449681 _cell_length_b 5.18449681 _cell_length_c 5.18449681 _cell_angle_alpha 136.68785978 _cell_angle_beta 135.34380639 _cell_angle_gamma 63.96217027 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbAl2 _chemical_formula_sum 'Ti1 Nb1 Al2' _cell_volume 66.28832963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.91325696 -0.00000000 0.01088998 1 Al Al1 1 0.00000000 0.00000000 2.18818069 1 Nb Nb2 1 1.91325696 0.00000000 4.39440494 1 Ti Ti3 1 0.00000000 -0.00000000 6.59935257 1 [/CIF]
Al2NbTi
Imm2
44
orthorhombic
mm2
4,878.196459
false
[CIF] data_LaFeMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70590207 _cell_length_b 4.70590207 _cell_length_c 4.70590207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeMo3 _chemical_formula_sum 'La1 Fe1 Mo3' _cell_volume 104.21462155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35295103 0.00000000 2.35295103 1 Mo Mo1 1 2.35295103 2.35295103 0.00000000 1 Mo Mo2 1 0.00000000 2.35295103 2.35295103 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.35295103 2.35295103 2.35295103 1 [/CIF]
FeLaMo3
Pm-3m
221
cubic
m-3m
7,690.156508
false
[CIF] data_MgZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70760796 _cell_length_b 4.70760796 _cell_length_c 5.63021974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr _chemical_formula_sum 'Mg2 Zr2' _cell_volume 108.05790754 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.35380398 1.35896936 4.22266480 1 Mg Mg1 1 -0.00000000 2.71793872 1.40755494 1 Zr Zr2 1 0.00000000 0.00000000 2.81510987 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2Zr2
P6_3/mmc
194
hexagonal
6/mmm
3,550.696515
false
[CIF] data_Li3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66923165 _cell_length_b 4.66923165 _cell_length_c 3.59381123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Pb _chemical_formula_sum 'Li3 Pb1' _cell_volume 78.35128127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33461583 0.00000000 1.79690562 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.33461583 1.79690562 1 Pb Pb3 1 2.33461583 2.33461583 0.00000000 1 [/CIF]
Li3Pb
P4/mmm
123
tetragonal
4/mmm
4,832.608905
false
[CIF] data_AlFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71311233 _cell_length_b 4.25275363 _cell_length_c 4.85308963 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.91510642 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeOs2 _chemical_formula_sum 'Al1 Fe1 Os2' _cell_volume 55.78999903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.14865074 0.00000000 2.41762178 1 Os Os2 1 0.38945276 2.12637681 3.60850151 1 Os Os3 1 1.90784872 2.12637681 1.22674205 1 [/CIF]
AlFeOs2
P2/m
10
monoclinic
2/m
13,789.306502
false
[CIF] data_CuSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35863513 _cell_length_b 5.35863513 _cell_length_c 5.35863513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSe3 _chemical_formula_sum 'Cu2 Se6' _cell_volume 153.87304944 _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 Cu Cu0 1 2.67931756 2.67931756 2.67931756 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.33965878 0.00000000 2.67931756 1 Se Se3 1 4.01897635 0.00000000 2.67931756 1 Se Se4 1 2.67931756 1.33965878 0.00000000 1 Se Se5 1 2.67931756 4.01897635 0.00000000 1 Se Se6 1 0.00000000 2.67931756 4.01897635 1 Se Se7 1 0.00000000 2.67931756 1.33965878 1 [/CIF]
Cu2Se6
Pm-3n
223
cubic
m-3m
6,484.164854
false
[CIF] data_LiY4Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33088847 _cell_length_b 6.33088847 _cell_length_c 6.33088847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiY4Be _chemical_formula_sum 'Li1 Y4 Be1' _cell_volume 179.42336230 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.71492126 6.71492126 6.71492126 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.58636127 5.58636127 3.36686707 1 Y Y3 1 5.58636127 3.36686707 5.58636127 1 Y Y4 1 3.36686707 5.58636127 5.58636127 1 Y Y5 1 3.36686707 3.36686707 3.36686707 1 [/CIF]
BeLiY4
F-43m
216
cubic
-43m
3,438.89125
false
[CIF] data_PtPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83904707 _cell_length_b 4.83904707 _cell_length_c 4.83904707 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtPb2W _chemical_formula_sum 'Pt1 Pb2 W1' _cell_volume 80.12435431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 5.13258450 5.13258450 5.13258450 1 Pb Pb1 1 1.71086150 1.71086150 1.71086150 1 Pt Pt2 1 3.42172300 3.42172300 3.42172300 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2PtW
Fm-3m
225
cubic
m-3m
16,441.261908
false
[CIF] data_GeP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41424592 _cell_length_b 4.41424592 _cell_length_c 3.16766337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.33730971 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeP2Rh _chemical_formula_sum 'Ge1 P2 Rh1' _cell_volume 60.05895810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.36887592 1.73134933 1.58383169 1 P P2 1 1.36887592 -1.73134933 1.58383169 1 Rh Rh3 1 2.73775183 -0.00000000 0.00000000 1 [/CIF]
GeP2Rh
Cmmm
65
orthorhombic
mmm
6,566.321776
false
[CIF] data_Ca2ZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40348630 _cell_length_b 3.51921993 _cell_length_c 7.36529331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnFe _chemical_formula_sum 'Ca2 Zn1 Fe1' _cell_volume 88.21866102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70174315 1.75960997 5.69346402 1 Ca Ca1 1 1.70174315 1.75960997 1.67182929 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 3.68264666 1 [/CIF]
Ca2FeZn
Pmmm
47
orthorhombic
mmm
3,790.59276
false
[CIF] data_TiMnCrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16448341 _cell_length_b 4.16448341 _cell_length_c 4.16448341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnCrNi _chemical_formula_sum 'Ti1 Mn1 Cr1 Ni1' _cell_volume 51.07030029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.41710169 4.41710169 4.41710169 1 Mn Mn1 1 2.94473446 2.94473446 2.94473446 1 Ni Ni2 1 1.47236723 1.47236723 1.47236723 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrMnNiTi
F-43m
216
cubic
-43m
6,941.726023
false
[CIF] data_SrLaCoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04509004 _cell_length_b 5.04509004 _cell_length_c 5.04509004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaCoRh _chemical_formula_sum 'Sr1 La1 Co1 Rh1' _cell_volume 90.80123743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.35112607 5.35112607 5.35112607 1 Rh Rh2 1 3.56741738 3.56741738 3.56741738 1 Sr Sr3 1 1.78370869 1.78370869 1.78370869 1 [/CIF]
CoLaRhSr
F-43m
216
cubic
-43m
7,102.258585
false
[CIF] data_MgGaPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42975363 _cell_length_b 4.42975363 _cell_length_c 4.42975363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGaPdRu _chemical_formula_sum 'Mg1 Ga1 Pd1 Ru1' _cell_volume 61.46441039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56615442 1.56615442 1.56615442 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 Pd Pd2 1 4.69846325 4.69846325 4.69846325 1 Ru Ru3 1 3.13230883 3.13230883 3.13230883 1 [/CIF]
GaMgPdRu
F-43m
216
cubic
-43m
8,145.891502
false
[CIF] data_MnCdGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65552894 _cell_length_b 4.65552894 _cell_length_c 4.65552894 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdGaAu _chemical_formula_sum 'Mn1 Cd1 Ga1 Au1' _cell_volume 71.34969038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64597804 1.64597804 1.64597804 1 Cd Cd1 1 3.29195608 3.29195608 3.29195608 1 Ga Ga2 1 4.93793412 4.93793412 4.93793412 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCdGaMn
F-43m
216
cubic
-43m
10,101.488474
false
[CIF] data_BeNiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47846793 _cell_length_b 3.31235179 _cell_length_c 6.04207517 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.05321649 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiCl2 _chemical_formula_sum 'Be1 Ni1 Cl2' _cell_volume 68.92971404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.86861051 0.00000000 2.05864629 1 Cl Cl1 1 2.68770814 1.65617590 0.70443586 1 Cl Cl2 1 0.46102571 0.00000000 3.77888655 1 Ni Ni3 1 1.40914858 1.65617590 2.43176705 1 [/CIF]
BeCl2Ni
Pm
6
monoclinic
m
3,339.197764
false
[CIF] data_La3CdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95269236 _cell_length_b 5.95269236 _cell_length_c 5.95269236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3CdHg _chemical_formula_sum 'La3 Cd1 Hg1' _cell_volume 210.93095324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.97634618 2.97634618 2.97634618 1 La La2 1 2.97634618 0.00000000 2.97634618 1 La La3 1 2.97634618 2.97634618 0.00000000 1 La La4 1 0.00000000 2.97634618 2.97634618 1 [/CIF]
CdHgLa3
Pm-3m
221
cubic
m-3m
5,744.648892
false
[CIF] data_YTaGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67313111 _cell_length_b 4.67313111 _cell_length_c 4.67313111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaGaTc _chemical_formula_sum 'Y1 Ta1 Ga1 Tc1' _cell_volume 72.16205639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 4.95660405 4.95660405 4.95660405 1 Tc Tc2 1 1.65220135 1.65220135 1.65220135 1 Y Y3 1 3.30440270 3.30440270 3.30440270 1 [/CIF]
GaTaTcY
F-43m
216
cubic
-43m
10,090.039998
false
[CIF] data_MgAsRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17274840 _cell_length_b 5.17274840 _cell_length_c 5.17274840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsRu4 _chemical_formula_sum 'Mg1 As1 Ru4' _cell_volume 97.86988251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.48652821 5.48652821 5.48652821 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.57017982 4.57017982 2.74519112 1 Ru Ru3 1 4.57017982 2.74519112 4.57017982 1 Ru Ru4 1 2.74519112 4.57017982 4.57017982 1 Ru Ru5 1 2.74519112 2.74519112 2.74519112 1 [/CIF]
AsMgRu4
F-43m
216
cubic
-43m
8,542.897551
false
[CIF] data_NaSc2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05320220 _cell_length_b 6.05320220 _cell_length_c 4.98780812 _cell_angle_alpha 113.26204687 _cell_angle_beta 113.26204687 _cell_angle_gamma 32.79107956 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSc2Ga _chemical_formula_sum 'Na1 Sc2 Ga1' _cell_volume 90.20197695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.79669523 0.00000000 2.37806381 1 Na Na1 1 8.50311698 -0.00000000 1.20807327 1 Sc Sc2 1 11.55153609 0.00000000 0.01806783 1 Sc Sc3 1 1.10387142 -0.00000000 3.21410083 1 [/CIF]
GaNaSc2
Cm
8
monoclinic
m
3,361.958151
false
[CIF] data_AgSn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21180091 _cell_length_b 5.21180091 _cell_length_c 5.21180091 _cell_angle_alpha 134.00932633 _cell_angle_beta 127.68140389 _cell_angle_gamma 72.17891576 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSn2W _chemical_formula_sum 'Ag1 Sn2 W1' _cell_volume 78.81180509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 -0.00000000 2.29771804 2.13004132 1 Sn Sn2 1 2.03602239 -0.00000000 2.08160603 1 W W3 1 0.00000000 0.00000000 4.21164735 1 [/CIF]
AgSn2W
Immm
71
orthorhombic
mmm
11,148.558853
false
[CIF] data_TlInBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69513894 _cell_length_b 7.69513894 _cell_length_c 7.69513894 _cell_angle_alpha 153.48502669 _cell_angle_beta 153.48502669 _cell_angle_gamma 37.84854331 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlInBi _chemical_formula_sum 'Tl1 In1 Bi1' _cell_volume 90.67535057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.48411307 1 In In1 1 0.00000000 -0.00000000 4.91807850 1 Tl Tl2 1 0.00000000 -0.00000000 9.71461530 1 [/CIF]
BiInTl
I4mm
107
tetragonal
4mm
9,672.599462
false
[CIF] data_KCoMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47436928 _cell_length_b 4.47436928 _cell_length_c 4.47436928 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoMoW _chemical_formula_sum 'K1 Co1 Mo1 W1' _cell_volume 63.34035252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16385686 3.16385686 3.16385686 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.74578529 4.74578529 4.74578529 1 W W3 1 1.58192843 1.58192843 1.58192843 1 [/CIF]
CoKMoW
F-43m
216
cubic
-43m
9,905.28049
false
[CIF] data_Ca2CuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97076567 _cell_length_b 5.01037006 _cell_length_c 5.27040267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CuTe _chemical_formula_sum 'Ca2 Cu1 Te1' _cell_volume 104.85468973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50518503 2.63520134 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 1.98538284 0.00000000 2.63520134 1 Te Te3 1 1.98538284 2.50518503 0.00000000 1 [/CIF]
Ca2CuTe
Pmmm
47
orthorhombic
mmm
4,296.494234
false
[CIF] data_BaAl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64399361 _cell_length_b 4.64399361 _cell_length_c 6.75507820 _cell_angle_alpha 109.39759801 _cell_angle_beta 109.39759801 _cell_angle_gamma 58.32776475 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2Cd _chemical_formula_sum 'Ba1 Al2 Cd1' _cell_volume 114.66925402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10138025 -0.00000000 5.46977748 1 Al Al1 1 5.43995645 0.00000000 0.77764248 1 Ba Ba2 1 2.77066835 -0.00000000 3.12370998 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BaCd
C2/m
12
monoclinic
2/m
4,397.931316
false
[CIF] data_Na4P3Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92646063 _cell_length_b 6.92646063 _cell_length_c 6.92646063 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4P3Pt4 _chemical_formula_sum 'Na4 P3 Pt4' _cell_volume 255.80687930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62967512 -1.62967512 1.62967512 1 Na Na1 1 -1.62967512 1.62967512 1.62967512 1 Na Na2 1 2.36931879 2.36931879 2.36931879 1 Na Na3 1 1.62967512 1.62967512 -1.62967512 1 P P4 1 3.99899391 0.00000000 -0.00000000 1 P P5 1 0.00000000 3.99899391 -0.00000000 1 P P6 1 0.00000000 -0.00000000 3.99899391 1 Pt Pt7 1 3.07068550 -3.07068550 3.07068550 1 Pt Pt8 1 -3.07068550 3.07068550 3.07068550 1 Pt Pt9 1 0.92830841 0.92830841 0.92830841 1 Pt Pt10 1 3.07068550 3.07068550 -3.07068550 1 [/CIF]
Na4P3Pt4
I-43m
217
cubic
-43m
6,265.583956
false
[CIF] data_LaTePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46964694 _cell_length_b 5.46964694 _cell_length_c 5.46964694 _cell_angle_alpha 135.07094856 _cell_angle_beta 135.07094856 _cell_angle_gamma 65.41998143 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTePd _chemical_formula_sum 'La1 Te1 Pd1' _cell_volume 80.41346894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 0.00000000 0.01582788 1 Pd Pd1 1 -0.00000000 0.00000000 3.18437259 1 Te Te2 1 0.00000000 0.00000000 6.00430263 1 [/CIF]
LaPdTe
I4mm
107
tetragonal
4mm
7,700.928348
false
[CIF] data_Na2VSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50682008 _cell_length_b 4.50682008 _cell_length_c 7.68339942 _cell_angle_alpha 104.81963632 _cell_angle_beta 104.81963632 _cell_angle_gamma 42.89428829 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VSe _chemical_formula_sum 'Na2 V1 Se1' _cell_volume 102.13285662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00730112 -0.00000000 0.37615646 1 Na Na1 1 0.12257501 -0.00000000 5.16379184 1 Se Se2 1 3.43474436 -0.00000000 2.79250267 1 V V3 1 5.86705563 -0.00000000 2.74892847 1 [/CIF]
Na2SeV
Cm
8
monoclinic
m
2,859.58256
false
[CIF] data_KNbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48460042 _cell_length_b 3.48460042 _cell_length_c 15.61872034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbS2 _chemical_formula_sum 'K2 Nb2 S4' _cell_volume 164.24117716 _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 S S0 1 -0.00000000 2.01183499 5.44438135 1 S S1 1 1.74230021 1.00591749 13.25374152 1 S S2 1 -0.00000000 2.01183499 2.36497882 1 S S3 1 1.74230021 1.00591749 10.17433899 1 K K4 1 0.00000000 0.00000000 7.80936017 1 K K5 1 0.00000000 0.00000000 0.00000000 1 Nb Nb6 1 0.00000000 0.00000000 3.90468008 1 Nb Nb7 1 0.00000000 0.00000000 11.71404026 1 [/CIF]
K2Nb2S4
P6_3/mmc
194
hexagonal
6/mmm
3,965.988362
false
[CIF] data_NaSrBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29706514 _cell_length_b 5.29706514 _cell_length_c 5.29706514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrBiRh _chemical_formula_sum 'Na1 Sr1 Bi1 Rh1' _cell_volume 105.09715090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87279534 1.87279534 1.87279534 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.61838602 5.61838602 5.61838602 1 Sr Sr3 1 3.74559068 3.74559068 3.74559068 1 [/CIF]
BiNaRhSr
F-43m
216
cubic
-43m
6,675.447986
false
[CIF] data_BaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50792146 _cell_length_b 5.50792146 _cell_length_c 6.36629676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn2 _chemical_formula_sum 'Ba2 Mn4' _cell_volume 167.26034489 _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 Ba Ba0 1 2.75396073 1.58999997 1.59157419 1 Ba Ba1 1 0.00000000 3.17999994 4.77472257 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 3.18314838 1 Mn Mn4 1 2.75396073 1.58999997 4.77472257 1 Mn Mn5 1 0.00000000 3.17999994 1.59157419 1 [/CIF]
Ba2Mn4
P6_3/mmc
194
hexagonal
6/mmm
4,908.400598
false
[CIF] data_TaSe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58745950 _cell_length_b 3.58298223 _cell_length_c 6.77019005 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.06769998 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSe2Br _chemical_formula_sum 'Ta1 Se2 Br1' _cell_volume 106.37923286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.32859935 0.00000000 1.88380278 1 Se Se1 1 2.55698593 1.79149112 5.99130408 1 Se Se2 1 -0.02332607 0.00000000 4.45233385 1 Ta Ta3 1 1.63873791 1.79149112 3.85261329 1 [/CIF]
BrSe2Ta
Pm
6
monoclinic
m
6,536.868598
false
[CIF] data_Hg2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25536041 _cell_length_b 4.25536041 _cell_length_c 6.29201232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PbCl _chemical_formula_sum 'Hg2 Pb1 Cl1' _cell_volume 113.93633933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.12768020 2.12768020 1.53017826 1 Hg Hg2 1 2.12768020 2.12768020 4.76183406 1 Pb Pb3 1 0.00000000 0.00000000 3.14600616 1 [/CIF]
ClHg2Pb
P4/mmm
123
tetragonal
4/mmm
9,383.39651
false
[CIF] data_TiCrMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34042257 _cell_length_b 4.34042257 _cell_length_c 4.34042257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrMoIr _chemical_formula_sum 'Ti1 Cr1 Mo1 Ir1' _cell_volume 57.82039317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60371335 4.60371335 4.60371335 1 Ir Ir1 1 3.06914223 3.06914223 3.06914223 1 Mo Mo2 1 1.53457112 1.53457112 1.53457112 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrIrMoTi
F-43m
216
cubic
-43m
11,144.091385
false
[CIF] data_BeB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03715341 _cell_length_b 3.06748711 _cell_length_c 4.60120555 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeB2As _chemical_formula_sum 'Be1 B2 As1' _cell_volume 42.86680453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53374356 2.30060278 1 B B1 1 1.51857671 1.53374356 0.00000000 1 B B2 1 1.51857671 0.00000000 2.30060278 1 Be Be3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsB2Be
Pmmm
47
orthorhombic
mmm
4,088.933188
false
[CIF] data_RbEr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51635600 _cell_length_b 4.51635600 _cell_length_c 4.51635600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbEr _chemical_formula_sum 'Rb1 Er1' _cell_volume 92.12224288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 2.25817800 2.25817800 2.25817800 1 Rb Rb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ErRb
Pm-3m
221
cubic
m-3m
4,555.498341
false
[CIF] data_KNaHfGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26777706 _cell_length_b 5.26777706 _cell_length_c 5.26777706 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaHfGa _chemical_formula_sum 'K1 Na1 Hf1 Ga1' _cell_volume 103.36348938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72488088 3.72488088 3.72488088 1 Hf Hf1 1 1.86244044 1.86244044 1.86244044 1 K K2 1 5.58732132 5.58732132 5.58732132 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaHfKNa
F-43m
216
cubic
-43m
4,985.000516
false
[CIF] data_LaYV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32684418 _cell_length_b 3.32684418 _cell_length_c 8.41444783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYV2 _chemical_formula_sum 'La1 Y1 V2' _cell_volume 93.13020149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66342209 1.66342209 6.76666805 1 V V1 1 0.00000000 0.00000000 0.62699610 1 V V2 1 1.66342209 1.66342209 1.59358829 1 Y Y3 1 0.00000000 0.00000000 3.63441930 1 [/CIF]
LaV2Y
P4mm
99
tetragonal
4mm
5,878.547342
false
[CIF] data_CuP4Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90531631 _cell_length_b 4.90531631 _cell_length_c 4.90531631 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuP4Os _chemical_formula_sum 'Cu1 P4 Os1' _cell_volume 83.46147492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.20287365 5.20287365 5.20287365 1 P P2 1 4.35326810 2.58389676 4.35326810 1 P P3 1 2.58389676 4.35326810 4.35326810 1 P P4 1 2.58389676 2.58389676 2.58389676 1 P P5 1 4.35326810 4.35326810 2.58389676 1 [/CIF]
CuOsP4
F-43m
216
cubic
-43m
7,514.095936
false
[CIF] data_Ba2CoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83954571 _cell_length_b 3.83954571 _cell_length_c 8.44059009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CoBr _chemical_formula_sum 'Ba2 Co1 Br1' _cell_volume 124.43211820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91977285 1.91977285 1.81918941 1 Ba Ba1 1 1.91977285 1.91977285 6.62140068 1 Br Br2 1 0.00000000 0.00000000 4.22029505 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BrCo
P4/mmm
123
tetragonal
4/mmm
5,518.014906
false
[CIF] data_NaHfRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81586866 _cell_length_b 6.81586866 _cell_length_c 6.81586866 _cell_angle_alpha 152.56554442 _cell_angle_beta 152.56554442 _cell_angle_gamma 39.18798993 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfRh _chemical_formula_sum 'Na1 Hf1 Rh1' _cell_volume 67.09515930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.53171411 1 Na Na1 1 -0.00000000 0.00000000 4.03647348 1 Rh Rh2 1 -0.00000000 0.00000000 8.27417132 1 [/CIF]
HfNaRh
I4mm
107
tetragonal
4mm
7,533.893953
false
[CIF] data_Y2FeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80223315 _cell_length_b 4.80223315 _cell_length_c 3.41971652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2FeCu _chemical_formula_sum 'Y2 Fe1 Cu1' _cell_volume 78.86359829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40111657 2.40111657 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.40111657 1.70985826 1 Y Y3 1 2.40111657 0.00000000 1.70985826 1 [/CIF]
CuFeY2
P4/mmm
123
tetragonal
4/mmm
6,257.883166
false
[CIF] data_SrAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06597910 _cell_length_b 6.06597910 _cell_length_c 6.06597910 _cell_angle_alpha 140.89609220 _cell_angle_beta 138.15771257 _cell_angle_gamma 58.60150242 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAsSe _chemical_formula_sum 'Sr1 As1 Se1' _cell_volume 93.04329260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50739987 1 Se Se1 1 0.00000000 0.00000000 2.94496670 1 Sr Sr2 1 0.00000000 0.00000000 7.12746354 1 [/CIF]
AsSeSr
Imm2
44
orthorhombic
mm2
4,310.067177
false
[CIF] data_YTeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71143459 _cell_length_b 4.71143459 _cell_length_c 4.71143459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTeMo _chemical_formula_sum 'Y1 Te1 Mo1' _cell_volume 73.95107666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99723103 4.99723103 4.99723103 1 Te Te1 1 3.33148735 3.33148735 3.33148735 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoTeY
F-43m
216
cubic
-43m
7,016.283932
false
[CIF] data_KSrZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65146347 _cell_length_b 5.65146347 _cell_length_c 5.65146347 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrZn2 _chemical_formula_sum 'K1 Sr1 Zn2' _cell_volume 127.63441006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.99618814 3.99618814 3.99618814 1 Zn Zn2 1 5.99428221 5.99428221 5.99428221 1 Zn Zn3 1 1.99809407 1.99809407 1.99809407 1 [/CIF]
KSrZn2
Fm-3m
225
cubic
m-3m
3,349.823733
false
[CIF] data_ReTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95996464 _cell_length_b 6.95996464 _cell_length_c 6.95996464 _cell_angle_alpha 153.72288963 _cell_angle_beta 144.70743513 _cell_angle_gamma 44.53060625 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTeAs2 _chemical_formula_sum 'Re1 Te1 As2' _cell_volume 85.99716027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10984202 6.07480629 1 As As1 1 -0.00000000 -0.00000000 4.40021397 1 Re Re2 1 0.00000000 2.10984202 0.07409858 1 Te Te3 1 0.00000000 0.00000000 8.77395636 1 [/CIF]
As2ReTe
Imm2
44
orthorhombic
mm2
8,952.728996
false
[CIF] data_Zn4H13C29NO15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.11601385 _cell_length_b 16.12381720 _cell_length_c 16.12481971 _cell_angle_alpha 89.85768307 _cell_angle_beta 83.94061251 _cell_angle_gamma 84.37812950 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4H13C29NO15 _chemical_formula_sum 'Zn4 H13 C29 N1 O15' _cell_volume 4146.47943300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.82530580 9.11571191 6.88426449 1 Zn Zn1 1 10.83247404 6.71122765 9.03019932 1 Zn Zn2 1 8.42192966 6.95558937 6.89020616 1 Zn Zn3 1 8.66291606 9.08242745 9.26124359 1 H H4 1 7.88421209 0.05977351 9.18174731 1 H H5 1 16.41171801 5.34609815 6.31301644 1 H H6 1 2.45866563 4.51323843 5.32373020 1 H H7 1 1.18976619 4.63328058 4.07899395 1 H H8 1 2.46300609 5.87553633 4.17617349 1 H H9 1 11.49971616 15.86160585 6.86622466 1 H H10 1 17.66835789 8.90106234 9.12827619 1 H H11 1 11.77971396 9.25328366 1.02415546 1 H H12 1 10.62223647 10.60424119 1.15484288 1 H H13 1 13.05772937 11.32425513 14.92844644 1 H H14 1 12.73242817 11.34194586 0.01878358 1 H H15 1 14.21359968 9.97162222 14.79729065 1 H H16 1 16.41377084 6.71369724 5.16291440 1 C C17 1 9.89711853 7.74977117 11.61059885 1 C C18 1 9.45630137 8.24064803 2.98085251 1 C C19 1 14.73986442 7.69250048 7.70485037 1 C C20 1 9.53263330 8.16376789 4.41769274 1 C C21 1 17.36520681 7.54584155 7.53363125 1 C C22 1 2.04706843 8.27323437 8.38658194 1 C C23 1 3.43753845 8.23330959 8.33543045 1 C C24 1 15.95347234 7.62282138 7.62399142 1 C C25 1 4.65908228 8.19566175 8.28908087 1 C C26 1 13.30011964 7.77712730 7.80331487 1 C C27 1 6.08074362 8.13316961 8.21387281 1 C C28 1 10.02391016 14.21290180 8.34635520 1 C C29 1 9.54168340 4.36703618 7.80445524 1 C C30 1 9.89617228 11.56425486 8.20596318 1 C C31 1 9.46850518 2.92982484 7.72196191 1 C C32 1 9.30154364 0.31542533 7.61681206 1 C C33 1 10.08429103 15.61120051 8.43016668 1 C C34 1 11.16148832 9.95710757 0.44751502 1 C C35 1 13.68649808 10.62974441 15.49986420 1 C C36 1 7.48170071 6.81592075 0.31037504 1 C C37 1 17.05484305 6.00271892 5.70676658 1 C C38 1 1.82044172 5.21188429 4.76815329 1 C C39 1 9.38364937 1.71294732 7.68000720 1 C C40 1 9.96155163 12.99541803 8.28626871 1 C C41 1 9.96760644 7.67257112 13.04924387 1 C C42 1 10.10286188 7.53957149 15.66988529 1 C C43 1 9.33356094 8.39626147 0.36261726 1 C C44 1 9.39375228 8.31101240 1.76545562 1 C C45 1 10.03382075 7.61537636 14.26441986 1 N N46 1 6.71354557 6.10891539 0.83793462 1 O O47 1 9.70783677 7.95730419 8.01024028 1 O O48 1 10.41694913 4.83577491 8.60551651 1 O O49 1 9.11562943 10.98178463 9.03075664 1 O O50 1 8.72437168 5.01331552 7.07335421 1 O O51 1 10.63135803 11.01431649 7.31271463 1 O O52 1 11.88517944 9.06511139 15.71507604 1 O O53 1 1.81293543 6.75069918 6.59781962 1 O O54 1 12.74114800 8.65265090 7.06682512 1 O O55 1 6.74062413 8.86207887 9.03739398 1 O O56 1 10.64238117 6.93457006 10.97036133 1 O O57 1 8.71536586 7.36838156 4.98068049 1 O O58 1 9.10457022 8.62187866 11.13038661 1 O O59 1 10.41711731 8.90535943 4.96537378 1 O O60 1 12.74862834 6.96536072 8.61446334 1 O O61 1 6.57124811 7.34885281 7.32403302 1 [/CIF]
C29H13NO15Zn4
P1
1
triclinic
1
351.184317
true
[CIF] data_FeGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68849097 _cell_length_b 8.68849097 _cell_length_c 8.68849097 _cell_angle_alpha 18.99841082 _cell_angle_beta 18.99841082 _cell_angle_gamma 18.99841082 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeGePt2 _chemical_formula_sum 'Fe1 Ge1 Pt2' _cell_volume 60.74880269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 -0.00000000 12.79390668 1 Pt Pt2 1 -0.00000000 0.00000000 6.43904197 1 Pt Pt3 1 -0.00000000 -0.00000000 19.14877139 1 [/CIF]
FeGePt2
R-3m
166
trigonal
-3m
14,177.128267
false
[CIF] data_Al2VCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33620887 _cell_length_b 4.33620887 _cell_length_c 4.33620887 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VCr _chemical_formula_sum 'Al2 V1 Cr1' _cell_volume 57.65215999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.53308135 1.53308135 1.53308135 1 Al Al1 1 4.59924405 4.59924405 4.59924405 1 Cr Cr2 1 3.06616270 3.06616270 3.06616270 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2CrV
Fm-3m
225
cubic
m-3m
4,519.166395
false
[CIF] data_LiYMgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02766590 _cell_length_b 5.02766590 _cell_length_c 5.02766590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYMgCd _chemical_formula_sum 'Li1 Y1 Mg1 Cd1' _cell_volume 89.86368674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55509665 3.55509665 3.55509665 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 5.33264498 5.33264498 5.33264498 1 Y Y3 1 1.77754832 1.77754832 1.77754832 1 [/CIF]
CdLiMgY
F-43m
216
cubic
-43m
4,297.39433
false
[CIF] data_CrGeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64462610 _cell_length_b 4.64462610 _cell_length_c 4.64462610 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeAs2 _chemical_formula_sum 'Cr1 Ge1 As2' _cell_volume 70.84957943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.92636992 4.92636992 4.92636992 1 As As1 1 1.64212331 1.64212331 1.64212331 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 3.28424661 3.28424661 3.28424661 1 [/CIF]
As2CrGe
Fm-3m
225
cubic
m-3m
6,433.116531
false
[CIF] data_LaCdSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.56766139 _cell_length_b 11.56766139 _cell_length_c 11.56766139 _cell_angle_alpha 16.96011997 _cell_angle_beta 16.96011997 _cell_angle_gamma 16.96011997 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdSb2 _chemical_formula_sum 'La1 Cd1 Sb2' _cell_volume 114.89926772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 17.03654902 1 La La1 1 -0.00000000 -0.00000000 8.52004468 1 Sb Sb2 1 -0.00000000 -0.00000000 34.05900238 1 Sb Sb3 1 -0.00000000 -0.00000000 25.87486168 1 [/CIF]
CdLaSb2
R3m
160
trigonal
3m
7,151.440617
false
[CIF] data_HfMgScRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74469316 _cell_length_b 4.74469316 _cell_length_c 4.74469316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgScRe _chemical_formula_sum 'Hf1 Mg1 Sc1 Re1' _cell_volume 75.52824585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03250707 5.03250707 5.03250707 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.35500471 3.35500471 3.35500471 1 Sc Sc3 1 1.67750235 1.67750235 1.67750235 1 [/CIF]
HfMgReSc
F-43m
216
cubic
-43m
9,540.855319
false
[CIF] data_InAs4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50366852 _cell_length_b 5.50366852 _cell_length_c 5.50366852 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAs4W _chemical_formula_sum 'In1 As4 W1' _cell_volume 117.88045631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.93017810 2.93017810 4.85318456 1 As As1 1 2.93017810 4.85318456 2.93017810 1 As As2 1 4.85318456 2.93017810 2.93017810 1 As As3 1 4.85318456 4.85318456 4.85318456 1 In In4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.94584066 1.94584066 1.94584066 1 [/CIF]
As4InW
F-43m
216
cubic
-43m
8,428.6597
false
[CIF] data_TcPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73611446 _cell_length_b 2.73611446 _cell_length_c 7.91617212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPd2Rh _chemical_formula_sum 'Tc1 Pd2 Rh1' _cell_volume 59.26301618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36805723 1.36805723 7.84076005 1 Pd Pd1 1 0.00000000 0.00000000 2.01243186 1 Rh Rh2 1 1.36805723 1.36805723 4.05872570 1 Tc Tc3 1 0.00000000 0.00000000 5.87851269 1 [/CIF]
Pd2RhTc
P4mm
99
tetragonal
4mm
11,618.466142
false
[CIF] data_VInPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90589371 _cell_length_b 5.92723333 _cell_length_c 5.92723333 _cell_angle_alpha 34.13904545 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInPb2 _chemical_formula_sum 'V1 In1 Pb2' _cell_volume 96.72579188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45294685 -0.00000000 5.01548694 1 Pb Pb1 1 0.00000000 -0.00000000 0.40762013 1 Pb Pb2 1 2.45294685 -0.00000000 8.11186971 1 V V3 1 0.00000000 -0.00000000 3.50133063 1 [/CIF]
InPb2V
Amm2
38
orthorhombic
mm2
9,959.925135
false
[CIF] data_AlAs2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54701642 _cell_length_b 9.54701642 _cell_length_c 9.54701642 _cell_angle_alpha 17.73026992 _cell_angle_beta 17.73026992 _cell_angle_gamma 17.73026992 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAs2P _chemical_formula_sum 'Al1 As2 P1' _cell_volume 70.44710790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 0.00000000 -0.00000000 1 As As1 1 -0.00000000 -0.00000000 7.09022238 1 As As2 1 -0.00000000 -0.00000000 21.09370254 1 P P3 1 -0.00000000 -0.00000000 14.09196246 1 [/CIF]
AlAs2P
R-3m
166
trigonal
-3m
4,898.107796
false
[CIF] data_MgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64789365 _cell_length_b 3.64789365 _cell_length_c 3.64789365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRh _chemical_formula_sum 'Mg1 Rh1' _cell_volume 34.32507614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.57945034 2.57945034 2.57945034 1 [/CIF]
MgRh
Fm-3m
225
cubic
m-3m
6,154.043303
false
[CIF] data_Ba2LaHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27003189 _cell_length_b 5.82201578 _cell_length_c 6.27967167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaHf _chemical_formula_sum 'Ba2 La1 Hf1' _cell_volume 156.11384997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13501595 2.91100789 0.00000000 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 0.00000000 2.91100789 3.13983583 1 La La3 1 2.13501595 0.00000000 3.13983583 1 [/CIF]
Ba2HfLa
Pmmm
47
orthorhombic
mmm
6,297.463514
false