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_MgHgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61561966 _cell_length_b 4.61561966 _cell_length_c 4.61561966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgGe _chemical_formula_sum 'Mg1 Hg1 Ge1' _cell_volume 69.53045084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.63186798 1.63186798 1.63186798 1 Hg Hg1 1 3.26373596 3.26373596 3.26373596 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeHgMg
F-43m
216
cubic
-43m
7,105.785813
false
[CIF] data_YSc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52869213 _cell_length_b 3.52869213 _cell_length_c 7.33595351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Pt _chemical_formula_sum 'Y1 Sc2 Pt1' _cell_volume 91.34485840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.76434606 1.76434606 5.70139237 1 Sc Sc1 1 0.00000000 0.00000000 7.07082122 1 Sc Sc2 1 1.76434606 1.76434606 1.66089993 1 Y Y3 1 0.00000000 0.00000000 3.90677026 1 [/CIF]
PtSc2Y
P4mm
99
tetragonal
4mm
6,797.111535
false
[CIF] data_KZrInTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03708797 _cell_length_b 5.03708797 _cell_length_c 5.03708797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrInTc _chemical_formula_sum 'K1 Zr1 In1 Tc1' _cell_volume 90.36985984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.78087953 1.78087953 1.78087953 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 5.34263859 5.34263859 5.34263859 1 Zr Zr3 1 3.56175906 3.56175906 3.56175906 1 [/CIF]
InKTcZr
F-43m
216
cubic
-43m
6,321.827377
false
[CIF] data_Cu3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76191511 _cell_length_b 3.76191511 _cell_length_c 3.76191511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Mo _chemical_formula_sum 'Cu3 Mo1' _cell_volume 53.23864256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88095756 1.88095756 1 Cu Cu1 1 1.88095756 0.00000000 1.88095756 1 Cu Cu2 1 1.88095756 1.88095756 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu3Mo
Pm-3m
221
cubic
m-3m
8,939.130537
false
[CIF] data_TaCd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93657418 _cell_length_b 4.93657418 _cell_length_c 5.25619846 _cell_angle_alpha 101.57901661 _cell_angle_beta 101.57901661 _cell_angle_gamma 36.44875669 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCd2Os _chemical_formula_sum 'Ta1 Cd2 Os1' _cell_volume 74.38154954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -1.07176419 -0.00000000 5.06270708 1 Cd Cd1 1 1.41292071 0.00000000 3.93161458 1 Os Os2 1 4.07291388 -0.00000000 2.31997872 1 Ta Ta3 1 6.87594462 0.00000000 1.52944554 1 [/CIF]
Cd2OsTa
Cm
8
monoclinic
m
13,305.464736
false
[CIF] data_Sr3Tb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13721821 _cell_length_b 8.13721821 _cell_length_c 6.53577200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Tb _chemical_formula_sum 'Sr6 Tb2' _cell_volume 374.78262637 _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 Sr Sr0 1 2.09633864 1.21032168 1.63394300 1 Sr Sr1 1 6.04087958 1.21032168 1.63394300 1 Sr Sr2 1 4.06860911 4.62639434 1.63394300 1 Sr Sr3 1 1.97227047 5.83671601 4.90182900 1 Sr Sr4 1 -1.97227047 5.83671601 4.90182900 1 Sr Sr5 1 -0.00000000 2.42064335 4.90182900 1 Tb Tb6 1 4.06860911 2.34901256 4.90182900 1 Tb Tb7 1 0.00000000 4.69802513 1.63394300 1 [/CIF]
Sr6Tb2
P6_3/mmc
194
hexagonal
6/mmm
3,737.585415
false
[CIF] data_AlTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21761984 _cell_length_b 4.21761984 _cell_length_c 4.21761984 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcMo _chemical_formula_sum 'Al1 Tc1 Mo1' _cell_volume 53.05023317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.98230759 2.98230759 2.98230759 1 Tc Tc2 1 4.47346139 4.47346139 4.47346139 1 [/CIF]
AlMoTc
F-43m
216
cubic
-43m
6,944.113433
false
[CIF] data_Li3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57008764 _cell_length_b 2.57008764 _cell_length_c 9.32683102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Os _chemical_formula_sum 'Li3 Os1' _cell_volume 61.60698773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.28504382 1.28504382 2.56462055 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.28504382 1.28504382 6.76221047 1 Os Os3 1 0.00000000 0.00000000 4.66341551 1 [/CIF]
Li3Os
P4/mmm
123
tetragonal
4/mmm
5,688.668843
false
[CIF] data_CdCuBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90859525 _cell_length_b 4.90859525 _cell_length_c 4.90859525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCuBiAu _chemical_formula_sum 'Cd1 Cu1 Bi1 Au1' _cell_volume 83.62895529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73545049 1.73545049 1.73545050 1 Bi Bi1 1 5.20635148 5.20635148 5.20635148 1 Cd Cd2 1 3.47090099 3.47090099 3.47090099 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiCdCu
F-43m
216
cubic
-43m
11,554.302816
false
[CIF] data_YHf2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25187420 _cell_length_b 3.25187420 _cell_length_c 8.29775876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf2Cr _chemical_formula_sum 'Y1 Hf2 Cr1' _cell_volume 87.74619184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.62593710 1.62593710 1.50834634 1 Hf Hf2 1 1.62593710 1.62593710 6.78941242 1 Y Y3 1 0.00000000 0.00000000 4.14887938 1 [/CIF]
CrHf2Y
P4/mmm
123
tetragonal
4/mmm
9,422.088996
false
[CIF] data_Ba2CaHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71846611 _cell_length_b 6.09537765 _cell_length_c 7.25311943 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.49165755 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaHf _chemical_formula_sum 'Ba2 Ca1 Hf1' _cell_volume 163.34120498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74576911 0.00000000 6.86605808 1 Ba Ba1 1 2.72452078 3.04768883 2.06905334 1 Ca Ca2 1 0.97578933 0.00000000 3.65519229 1 Hf Hf3 1 0.80001819 3.04768883 5.42623323 1 [/CIF]
Ba2CaHf
Pm
6
monoclinic
m
5,014.132225
false
[CIF] data_ScNbCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31265731 _cell_length_b 5.31265731 _cell_length_c 5.31265731 _cell_angle_alpha 131.88761383 _cell_angle_beta 131.88761383 _cell_angle_gamma 70.40658664 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbCd2 _chemical_formula_sum 'Sc1 Nb1 Cd2' _cell_volume 81.43559606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.16561131 -0.00000000 2.17051740 1 Cd Cd1 1 -0.00000000 2.16561131 2.17051740 1 Nb Nb2 1 0.00000000 -0.00000000 4.34103479 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2NbSc
I4/mmm
139
tetragonal
4/mmm
7,395.432278
false
[CIF] data_BaSrBePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18317267 _cell_length_b 5.18317267 _cell_length_c 5.18317267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrBePt _chemical_formula_sum 'Ba1 Sr1 Be1 Pt1' _cell_volume 98.46276607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66505654 3.66505654 3.66505654 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.49758481 5.49758481 5.49758481 1 Sr Sr3 1 1.83252827 1.83252827 1.83252827 1 [/CIF]
BaBePtSr
F-43m
216
cubic
-43m
7,235.65865
false
[CIF] data_InCo2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79981871 _cell_length_b 2.79981871 _cell_length_c 6.61159151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2Si _chemical_formula_sum 'In1 Co2 Si1' _cell_volume 51.82816526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39990935 1.39990935 1.32194799 1 Co Co1 1 1.39990935 1.39990935 5.28964352 1 In In2 1 0.00000000 0.00000000 3.30579576 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2InSi
P4/mmm
123
tetragonal
4/mmm
8,355.222371
false
[CIF] data_La2ZrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.85995211 _cell_length_b 10.85995211 _cell_length_c 10.85995211 _cell_angle_alpha 18.82326156 _cell_angle_beta 18.82326156 _cell_angle_gamma 18.82326156 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZrHg _chemical_formula_sum 'La2 Zr1 Hg1' _cell_volume 116.51062657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.79711244 1 La La1 1 -0.00000000 -0.00000000 31.79156572 1 La La2 1 -0.00000000 -0.00000000 24.20867241 1 Zr Zr3 1 -0.00000000 -0.00000000 16.18709099 1 [/CIF]
HgLa2Zr
R3m
160
trigonal
3m
8,118.439442
false
[CIF] data_Y2HfGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60741729 _cell_length_b 4.07079685 _cell_length_c 6.65806697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfGe _chemical_formula_sum 'Y2 Hf1 Ge1' _cell_volume 97.77413252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 3.32903348 1 Y Y2 1 1.80370864 2.03539842 5.11856189 1 Y Y3 1 1.80370864 2.03539842 1.53950508 1 [/CIF]
GeHfY2
Pmmm
47
orthorhombic
mmm
7,284.896647
false
[CIF] data_HfTaV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09993623 _cell_length_b 5.09993623 _cell_length_c 5.09993623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaV4 _chemical_formula_sum 'Hf1 Ta1 V4' _cell_volume 93.79490299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.80309974 1.80309974 1.80309974 1 V V2 1 2.70430083 2.70430083 4.50809815 1 V V3 1 2.70430083 4.50809815 2.70430083 1 V V4 1 4.50809815 2.70430083 2.70430083 1 V V5 1 4.50809815 4.50809815 4.50809815 1 [/CIF]
HfTaV4
F-43m
216
cubic
-43m
9,970.926089
false
[CIF] data_BeTlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58120924 _cell_length_b 3.58120924 _cell_length_c 5.80706927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlHg _chemical_formula_sum 'Be1 Tl1 Hg1' _cell_volume 64.49811635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18420970 1 Hg Hg1 1 -0.00000000 2.06761212 1.54284202 1 Tl Tl2 1 1.79060462 1.03380606 4.08001754 1 [/CIF]
BeHgTl
P3m1
156
trigonal
3m
10,658.281279
false
[CIF] data_CuHg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43925100 _cell_length_b 4.92641999 _cell_length_c 5.60508190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHg2Bi _chemical_formula_sum 'Cu1 Hg2 Bi1' _cell_volume 94.96799493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71962550 2.46321000 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 0.00000000 2.46321000 2.80254095 1 Hg Hg3 1 1.71962550 0.00000000 2.80254095 1 [/CIF]
BiCuHg2
Pmmm
47
orthorhombic
mmm
11,779.924357
false
[CIF] data_BaBeNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96194058 _cell_length_b 4.96194058 _cell_length_c 4.96194058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeNbZn _chemical_formula_sum 'Ba1 Be1 Nb1 Zn1' _cell_volume 86.38526684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75431092 1.75431092 1.75431091 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.26293274 5.26293275 5.26293275 1 Zn Zn3 1 3.50862183 3.50862183 3.50862183 1 [/CIF]
BaBeNbZn
F-43m
216
cubic
-43m
5,855.658782
false
[CIF] data_Ba2MgCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77775156 _cell_length_b 6.77775156 _cell_length_c 5.88529396 _cell_angle_alpha 112.21610248 _cell_angle_beta 112.21610248 _cell_angle_gamma 33.56652312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgCr _chemical_formula_sum 'Ba2 Mg1 Cr1' _cell_volume 137.33151537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15078117 -0.00000000 0.09148377 1 Ba Ba1 1 1.14615793 0.00000000 3.77429210 1 Cr Cr2 1 4.91181114 0.00000000 2.69014374 1 Mg Mg3 1 9.77202858 0.00000000 1.55443466 1 [/CIF]
Ba2CrMg
Cm
8
monoclinic
m
4,243.560938
false
[CIF] data_Nd2Re2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94181073 _cell_length_b 5.94181073 _cell_length_c 7.18258267 _cell_angle_alpha 125.29054224 _cell_angle_beta 125.29054224 _cell_angle_gamma 40.07929694 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Re2Si2C _chemical_formula_sum 'Nd2 Re2 Si2 C1' _cell_volume 128.74698493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 5.04143200 -0.00000000 1.71838148 1 Nd Nd1 1 1.70573974 0.00000000 3.94553229 1 Re Re2 1 1.89215453 -0.00000000 0.49439975 1 Re Re3 1 4.85501721 -0.00000000 5.16951402 1 Si Si4 1 -1.41456014 -0.00000000 3.95227875 1 Si Si5 1 8.16173188 0.00000000 1.71163503 1 C C6 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CNd2Re2Si2
C2/m
12
monoclinic
2/m
9,403.446031
false
[CIF] data_CrGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94159646 _cell_length_b 2.94159646 _cell_length_c 6.87853459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGePd2 _chemical_formula_sum 'Cr1 Ge1 Pd2' _cell_volume 59.51988919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54018544 1 Ge Ge1 1 1.47079823 1.47079823 5.11901858 1 Pd Pd2 1 0.00000000 0.00000000 6.70294424 1 Pd Pd3 1 1.47079823 1.47079823 1.83418821 1 [/CIF]
CrGePd2
P4mm
99
tetragonal
4mm
9,415.209869
false
[CIF] data_AlMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07818520 _cell_length_b 3.07818520 _cell_length_c 6.55746486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMo2Se _chemical_formula_sum 'Al1 Mo2 Se1' _cell_volume 62.13344924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.53909260 1.53909260 1.71700089 1 Mo Mo2 1 1.53909260 1.53909260 4.84046397 1 Se Se3 1 0.00000000 0.00000000 3.27873243 1 [/CIF]
AlMo2Se
P4/mmm
123
tetragonal
4/mmm
7,960.458132
false
[CIF] data_MoSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52775699 _cell_length_b 4.52775699 _cell_length_c 4.52775699 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoSeCl _chemical_formula_sum 'Mo1 Se1 Cl1' _cell_volume 65.63482488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.60080384 1.60080384 1.60080384 1 Se Se2 1 4.80241151 4.80241151 4.80241151 1 [/CIF]
ClMoSe
F-43m
216
cubic
-43m
5,322.366377
false
[CIF] data_BaTi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57756606 _cell_length_b 4.57756606 _cell_length_c 4.57756606 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2B _chemical_formula_sum 'Ba1 Ti2 B1' _cell_volume 67.82485321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 3.23682800 3.23682800 3.23682800 1 Ti Ti2 1 4.85524200 4.85524200 4.85524200 1 Ti Ti3 1 1.61841400 1.61841400 1.61841400 1 [/CIF]
BBaTi2
Fm-3m
225
cubic
m-3m
5,970.657717
false
[CIF] data_BaCaCrF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46025431 _cell_length_b 5.49354598 _cell_length_c 19.84048793 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.99488608 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaCrF7 _chemical_formula_sum 'Ba4 Ca4 Cr4 F28' _cell_volume 577.47310704 _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 Ba Ba0 1 1.65019101 4.15993853 8.31179849 1 Ba Ba1 1 -0.98806688 1.33360745 10.93977049 1 Ba Ba2 1 -0.74887408 1.33360745 17.93758298 1 Ba Ba3 1 1.41099821 4.15993853 1.31398600 1 Ca Ca4 1 -0.86847048 3.70372519 14.43867673 1 Ca Ca5 1 1.53059461 1.78982079 4.81289224 1 Ca Ca6 1 -3.59859763 1.13513492 14.43867673 1 Ca Ca7 1 -1.19953254 4.35841106 4.81289224 1 Cr Cr8 1 1.49088507 4.26422196 11.92635045 1 Cr Cr9 1 3.88995016 1.22932402 2.30056596 1 Cr Cr10 1 -3.22782602 4.26422196 16.95100302 1 Cr Cr11 1 -0.82876093 1.22932402 7.32521853 1 F F12 1 -1.25940639 5.17658079 8.41999962 1 F F13 1 4.32059562 5.17658079 1.20578487 1 F F14 1 1.92153053 0.31696519 10.83156936 1 F F15 1 -3.65847148 0.31696519 18.04578411 1 F F16 1 0.27846267 5.37621032 13.03194303 1 F F17 1 -2.01540362 5.37621032 15.84541044 1 F F18 1 0.38366146 0.11733566 6.21962595 1 F F19 1 2.67752776 0.11733566 3.40615854 1 F F20 1 0.03176239 3.92419437 10.68156209 1 F F21 1 -1.76870334 3.92419437 18.19579137 1 F F22 1 0.63036175 1.56935161 8.57000688 1 F F23 1 2.43082747 1.56935161 1.05577760 1 F F24 1 5.02010936 2.25164354 1.16195020 1 F F25 1 -1.95892013 2.25164354 8.46383429 1 F F26 1 -4.35798522 3.24190244 18.08961878 1 F F27 1 2.62104427 3.24190244 10.78773469 1 F F28 1 -0.18311310 0.71189187 3.57882933 1 F F29 1 3.24430232 0.71189187 6.04695516 1 F F30 1 0.84523723 4.78165411 15.67273965 1 F F31 1 -2.58217818 4.78165411 13.20461381 1 F F32 1 -2.58132665 2.75284654 15.88149674 1 F F33 1 0.84438570 2.75284654 12.99585673 1 F F34 1 3.24345078 2.74069944 3.37007224 1 F F35 1 -0.18226156 2.74069944 6.25571225 1 F F36 1 0.52404300 3.46122622 3.67382253 1 F F37 1 2.53714622 3.46122622 5.95196195 1 F F38 1 0.13808113 2.03231976 15.57774644 1 F F39 1 -1.87502208 2.03231976 13.29960702 1 [/CIF]
Ba4Ca4Cr4F28
P2/c
13
monoclinic
2/m
4,168.24691
false
[CIF] data_Sc2TlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55029129 _cell_length_b 5.79831139 _cell_length_c 5.79831139 _cell_angle_alpha 40.15192976 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlB _chemical_formula_sum 'Sc2 Tl1 B1' _cell_volume 76.96677664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.01773003 1 Sc Sc1 1 1.77514564 -0.00000000 1.22037937 1 Sc Sc2 1 0.00000000 -0.00000000 4.69320954 1 Tl Tl3 1 1.77514564 0.00000000 8.86527954 1 [/CIF]
BSc2Tl
Amm2
38
orthorhombic
mm2
6,582.588888
false
[CIF] data_SrAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22790350 _cell_length_b 5.22790350 _cell_length_c 3.07253846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAg2W _chemical_formula_sum 'Sr1 Ag2 W1' _cell_volume 83.97547185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61395175 0.00000000 1.53626923 1 Ag Ag1 1 0.00000000 2.61395175 1.53626923 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.61395175 2.61395175 0.00000000 1 [/CIF]
Ag2SrW
P4/mmm
123
tetragonal
4/mmm
9,633.868527
false
[CIF] data_AgIrF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88550300 _cell_length_b 7.26461700 _cell_length_c 10.54797000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgIrF7 _chemical_formula_sum 'Ag4 Ir4 F28' _cell_volume 604.24214013 _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 1.07515679 1.81615425 7.97815752 1 Ag Ag1 1 6.81034621 5.44846275 2.56981248 1 Ag Ag2 1 2.86759471 5.44846275 2.70417252 1 Ag Ag3 1 5.01790829 1.81615425 7.84379748 1 Ir Ir4 1 2.35552591 1.81615425 4.65710807 1 Ir Ir5 1 5.52997709 5.44846275 5.89086193 1 Ir Ir6 1 6.29827741 1.81615425 0.61687693 1 Ir Ir7 1 1.58722559 5.44846275 9.93109307 1 F F8 1 3.29122759 5.44846275 9.15443549 1 F F9 1 2.15320756 4.12859081 0.65860470 1 F F10 1 0.96829246 6.76426650 8.67799423 1 F F11 1 7.73053710 5.44846275 0.16853546 1 F F12 1 5.73229544 0.49628231 9.88936530 1 F F13 1 6.91721054 0.50035050 1.86997577 1 F F14 1 6.91721054 3.13195800 1.86997577 1 F F15 1 4.09771740 1.81615425 5.44252046 1 F F16 1 6.09595906 6.76833469 4.61538030 1 F F17 1 1.78954394 3.13602619 5.93258970 1 F F18 1 7.00985732 1.81615425 7.28134807 1 F F19 1 7.23397909 5.44846275 6.66751951 1 F F20 1 3.78778560 5.44846275 5.10544954 1 F F21 1 6.09595906 4.12859081 4.61538030 1 F F22 1 4.59427541 1.81615425 1.39353451 1 F F23 1 4.91104396 4.13265900 7.14396077 1 F F24 1 4.81839718 5.44846275 2.00736307 1 F F25 1 0.15496590 1.81615425 10.37943454 1 F F26 1 2.97445904 0.50035050 3.40400923 1 F F27 1 3.06710582 1.81615425 8.54060693 1 F F28 1 4.91104396 6.76426650 7.14396077 1 F F29 1 2.97445904 3.13195800 3.40400923 1 F F30 1 2.15320756 6.76833469 0.65860470 1 F F31 1 1.78954394 0.49628231 5.93258970 1 F F32 1 0.96829246 4.13265900 8.67799423 1 F F33 1 5.73229544 3.13602619 9.88936530 1 F F34 1 0.87564568 5.44846275 3.26662193 1 F F35 1 0.65152391 1.81615425 3.88045049 1 [/CIF]
Ag4F28Ir4
Pnma
62
orthorhombic
mmm
4,760.58378
false
[CIF] data_YTiInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99231542 _cell_length_b 4.99231542 _cell_length_c 4.99231542 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiInAg _chemical_formula_sum 'Y1 Ti1 In1 Ag1' _cell_volume 87.98143711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.53010009 3.53010009 3.53010009 1 Y Y1 1 1.76505004 1.76505004 1.76505004 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 5.29515013 5.29515013 5.29515013 1 [/CIF]
AgInTiY
F-43m
216
cubic
-43m
6,784.337867
false
[CIF] data_NpSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39523857 _cell_length_b 4.39523857 _cell_length_c 4.39523857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpSb _chemical_formula_sum 'Np1 Sb1' _cell_volume 60.03884968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 3.10790300 3.10790300 3.10790300 1 Sb Sb1 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
NpSb
Fm-3m
225
cubic
m-3m
9,922.491833
false
[CIF] data_CdSiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56597397 _cell_length_b 4.56597397 _cell_length_c 4.56597397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiAs _chemical_formula_sum 'Cd1 Si1 As1' _cell_volume 67.31088448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.61431558 1.61431558 1.61431558 1 Cd Cd1 1 4.84294674 4.84294674 4.84294674 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCdSi
F-43m
216
cubic
-43m
5,314.299068
false
[CIF] data_RhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31329631 _cell_length_b 3.31329631 _cell_length_c 3.84806716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RhBr _chemical_formula_sum 'Rh1 Br1' _cell_volume 36.58422233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.65664814 0.95646627 1.92403358 1 [/CIF]
BrRh
P-6m2
187
hexagonal
-6m2
8,297.617513
false
[CIF] data_KReOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71651574 _cell_length_b 3.83478941 _cell_length_c 7.98801339 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.96226822 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReOs2 _chemical_formula_sum 'K1 Re1 Os2' _cell_volume 83.16446197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.21636608 1.91739471 2.71316587 1 Os Os2 1 1.22662933 1.91739471 5.27016330 1 Re Re3 1 -0.13676017 0.00000000 3.99166458 1 [/CIF]
KOs2Re
P2/m
10
monoclinic
2/m
12,095.273895
false
[CIF] data_NaZrInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83855986 _cell_length_b 4.83855986 _cell_length_c 4.83855986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrInRe _chemical_formula_sum 'Na1 Zr1 In1 Re1' _cell_volume 80.10015522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.71068924 1.71068924 1.71068924 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.13206774 5.13206774 5.13206774 1 Zr Zr3 1 3.42137849 3.42137849 3.42137849 1 [/CIF]
InNaReZr
F-43m
216
cubic
-43m
8,608.225495
false
[CIF] data_MnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35055464 _cell_length_b 3.35055464 _cell_length_c 3.86807487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBi _chemical_formula_sum 'Mn1 Bi1' _cell_volume 43.42384565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67527732 1.67527732 1.93403744 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMn
P4/mmm
123
tetragonal
4/mmm
10,092.309462
false
[CIF] data_BaScTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30777561 _cell_length_b 3.30777561 _cell_length_c 9.54011537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScTi2 _chemical_formula_sum 'Ba1 Sc1 Ti2' _cell_volume 104.38202260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65388781 1.65388781 4.61978408 1 Sc Sc1 1 0.00000000 0.00000000 7.83280297 1 Ti Ti2 1 1.65388781 1.65388781 0.16855829 1 Ti Ti3 1 0.00000000 0.00000000 1.68902772 1 [/CIF]
BaScTi2
P4mm
99
tetragonal
4mm
4,422.772543
false
[CIF] data_CoP2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34675780 _cell_length_b 3.34675780 _cell_length_c 6.75801832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2Br _chemical_formula_sum 'Co1 P2 Br1' _cell_volume 75.69512896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67337890 1.67337890 0.00000000 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 1.67337890 3.37900916 1 P P3 1 1.67337890 0.00000000 3.37900916 1 [/CIF]
BrCoP2
P4/mmm
123
tetragonal
4/mmm
4,404.655098
false
[CIF] data_CaNb2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74743497 _cell_length_b 4.74743497 _cell_length_c 4.74743497 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNb2As _chemical_formula_sum 'Ca1 Nb2 As1' _cell_volume 75.65925760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35694346 3.35694346 3.35694346 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.67847173 1.67847173 1.67847173 1 Nb Nb3 1 5.03541519 5.03541519 5.03541519 1 [/CIF]
AsCaNb2
Fm-3m
225
cubic
m-3m
6,602.109131
false
[CIF] data_LaZrIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86027954 _cell_length_b 4.86027954 _cell_length_c 4.86027954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrIrOs _chemical_formula_sum 'La1 Zr1 Ir1 Os1' _cell_volume 81.18368254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71836831 1.71836831 1.71836831 1 La La1 1 3.43673662 3.43673662 3.43673662 1 Os Os2 1 5.15510493 5.15510493 5.15510493 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLaOsZr
F-43m
216
cubic
-43m
12,529.699663
false
[CIF] data_Mg2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61597072 _cell_length_b 4.61597072 _cell_length_c 4.61597072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdCu _chemical_formula_sum 'Mg2 Cd1 Cu1' _cell_volume 69.54631752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26398420 3.26398420 3.26398420 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.63199210 1.63199210 1.63199210 1 Mg Mg3 1 4.89597630 4.89597630 4.89597630 1 [/CIF]
CdCuMg2
Fm-3m
225
cubic
m-3m
5,361.926984
false
[CIF] data_ZnNiSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41736270 _cell_length_b 4.41736270 _cell_length_c 4.41736270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiSnOs _chemical_formula_sum 'Zn1 Ni1 Sn1 Os1' _cell_volume 60.95006613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.56177356 1.56177356 1.56177356 1 Sn Sn2 1 3.12354712 3.12354712 3.12354712 1 Zn Zn3 1 4.68532068 4.68532068 4.68532068 1 [/CIF]
NiOsSnZn
F-43m
216
cubic
-43m
11,797.126938
false
[CIF] data_Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70111200 _cell_length_b 2.70111200 _cell_length_c 2.70111200 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re _chemical_formula_sum Re1 _cell_volume 15.17070928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 [/CIF]
Re
Im-3m
229
cubic
m-3m
20,381.644144
false
[CIF] data_ZrGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94798412 _cell_length_b 2.94798412 _cell_length_c 7.42656420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeRu2 _chemical_formula_sum 'Zr1 Ge1 Ru2' _cell_volume 64.54137586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 5.82389783 1 Ru Ru1 1 1.47399206 1.47399206 7.36633863 1 Ru Ru2 1 0.00000000 0.00000000 1.63631620 1 Zr Zr3 1 1.47399206 1.47399206 3.73985784 1 [/CIF]
GeRu2Zr
P4mm
99
tetragonal
4mm
9,416.656097
false
[CIF] data_TiBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49334197 _cell_length_b 5.49334197 _cell_length_c 5.49334197 _cell_angle_alpha 149.35611259 _cell_angle_beta 149.35611259 _cell_angle_gamma 43.88738869 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeAu _chemical_formula_sum 'Ti1 Be1 Au1' _cell_volume 42.94504977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 9.96520474 1 Be Be1 1 -0.00000000 0.00000000 3.48577463 1 Ti Ti2 1 0.00000000 0.00000000 6.93045183 1 [/CIF]
AuBeTi
I4mm
107
tetragonal
4mm
9,815.352145
false
[CIF] data_Mn2SnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08204920 _cell_length_b 3.08204920 _cell_length_c 7.99635108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SnBi _chemical_formula_sum 'Mn2 Sn1 Bi1' _cell_volume 75.95755698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54102460 1.54102460 6.57011470 1 Mn Mn1 1 0.00000000 0.00000000 0.46761478 1 Mn Mn2 1 1.54102460 1.54102460 1.57283348 1 Sn Sn3 1 0.00000000 0.00000000 3.38396366 1 [/CIF]
BiMn2Sn
P4mm
99
tetragonal
4mm
9,565.81912
false
[CIF] data_LiHg4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70563756 _cell_length_b 5.70563756 _cell_length_c 5.70563756 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHg4Rh _chemical_formula_sum 'Li1 Hg4 Rh1' _cell_volume 131.34016079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02816073 3.02816073 5.04082929 1 Hg Hg1 1 3.02816073 5.04082929 3.02816073 1 Hg Hg2 1 5.04082929 3.02816073 3.02816073 1 Hg Hg3 1 5.04082929 5.04082929 5.04082929 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Rh Rh5 1 2.01724750 2.01724750 2.01724750 1 [/CIF]
Hg4LiRh
F-43m
216
cubic
-43m
11,533.06438
false
[CIF] data_Ta2AlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30537574 _cell_length_b 5.30537574 _cell_length_c 5.30537574 _cell_angle_alpha 140.76396285 _cell_angle_beta 127.72866527 _cell_angle_gamma 67.26499325 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlSn _chemical_formula_sum 'Ta2 Al1 Sn1' _cell_volume 73.55392736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 0.00000000 4.41729424 1 Ta Ta2 1 1.78126831 0.00000000 2.14846458 1 Ta Ta3 1 0.00000000 2.33700803 2.26882966 1 [/CIF]
AlSnTa2
Immm
71
orthorhombic
mmm
11,459.191498
false
[CIF] data_CaZn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39562392 _cell_length_b 4.39562392 _cell_length_c 4.90070897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZn2Te _chemical_formula_sum 'Ca1 Zn2 Te1' _cell_volume 94.68909564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 2.19781196 2.19781196 0.00000000 1 Zn Zn2 1 2.19781196 0.00000000 2.45035449 1 Zn Zn3 1 0.00000000 2.19781196 2.45035449 1 [/CIF]
CaTeZn2
P4/mmm
123
tetragonal
4/mmm
5,233.632813
false
[CIF] data_CrIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31534867 _cell_length_b 4.31534867 _cell_length_c 4.31534867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrIr2Rh _chemical_formula_sum 'Cr1 Ir2 Rh1' _cell_volume 56.82411459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.57711846 4.57711846 4.57711846 1 Ir Ir2 1 1.52570616 1.52570616 1.52570616 1 Rh Rh3 1 3.05141231 3.05141231 3.05141231 1 [/CIF]
CrIr2Rh
Fm-3m
225
cubic
m-3m
15,760.700193
false
[CIF] data_TiCdFeC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21391619 _cell_length_b 4.21391619 _cell_length_c 4.21391619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdFeC _chemical_formula_sum 'Ti1 Cd1 Fe1 C1' _cell_volume 52.91059967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 2.97968871 2.97968871 2.97968871 1 Fe Fe1 1 1.48984436 1.48984436 1.48984436 1 C C2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 4.46953307 4.46953307 4.46953307 1 [/CIF]
CCdFeTi
F-43m
216
cubic
-43m
7,159.717025
false
[CIF] data_SrHf2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17866336 _cell_length_b 3.17866336 _cell_length_c 9.88773834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Ag _chemical_formula_sum 'Sr1 Hf2 Ag1' _cell_volume 99.90472698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94386917 1 Hf Hf1 1 1.58933168 1.58933168 6.93434080 1 Hf Hf2 1 1.58933168 1.58933168 2.95339754 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHf2Sr
P4/mmm
123
tetragonal
4/mmm
9,182.946314
false
[CIF] data_CdGe3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65747419 _cell_length_b 4.65747419 _cell_length_c 4.65747419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGe3F _chemical_formula_sum 'Cd1 Ge3 F1' _cell_volume 101.03023673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32873710 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 2.32873710 1 Ge Ge2 1 2.32873710 0.00000000 0.00000000 1 F F3 1 0.00000000 0.00000000 0.00000000 1 Cd Cd4 1 2.32873710 2.32873710 2.32873710 1 [/CIF]
CdFGe3
Pm-3m
221
cubic
m-3m
5,741.599148
false
[CIF] data_TaTiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45737424 _cell_length_b 4.45737424 _cell_length_c 4.45737424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiCl2 _chemical_formula_sum 'Ta1 Ti1 Cl2' _cell_volume 62.62133158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72775933 4.72775933 4.72775933 1 Cl Cl1 1 1.57591978 1.57591978 1.57591978 1 Ta Ta2 1 3.15183955 3.15183955 3.15183955 1 Ti Ti3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cl2TaTi
Fm-3m
225
cubic
m-3m
7,947.74269
false
[CIF] data_CrOsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79538216 _cell_length_b 4.79538216 _cell_length_c 6.32803981 _cell_angle_alpha 93.17382453 _cell_angle_beta 93.17382453 _cell_angle_gamma 39.96323022 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrOsCl2 _chemical_formula_sum 'Cr1 Os1 Cl2' _cell_volume 93.30304906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.68951288 0.00000000 0.56120994 1 Cl Cl1 1 1.49065650 -0.00000000 3.95847670 1 Cr Cr2 1 4.51237401 -0.00000000 2.51744375 1 Os Os3 1 7.28181951 0.00000000 2.43844355 1 [/CIF]
Cl2CrOs
Cm
8
monoclinic
m
5,572.894887
false
[CIF] data_Ca2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97544729 _cell_length_b 4.97544729 _cell_length_c 4.97544729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CuAu _chemical_formula_sum 'Ca2 Cu1 Au1' _cell_volume 87.09262727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27725878 5.27725878 5.27725878 1 Ca Ca1 1 1.75908626 1.75908626 1.75908626 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 3.51817252 3.51817252 3.51817252 1 [/CIF]
AuCa2Cu
F-43m
216
cubic
-43m
6,495.308332
false
[CIF] data_KNbPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75884926 _cell_length_b 4.75884926 _cell_length_c 4.75884926 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbPtAu _chemical_formula_sum 'K1 Nb1 Pt1 Au1' _cell_volume 76.20629481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.36501458 3.36501458 3.36501458 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.04752187 5.04752187 5.04752187 1 Pt Pt3 1 1.68250729 1.68250729 1.68250729 1 [/CIF]
AuKNbPt
F-43m
216
cubic
-43m
11,419.190714
false
[CIF] data_LiNiIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25012410 _cell_length_b 4.25012410 _cell_length_c 4.25012410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiIrPt _chemical_formula_sum 'Li1 Ni1 Ir1 Pt1' _cell_volume 54.28624909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00529157 3.00529157 3.00529157 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.50793735 4.50793735 4.50793735 1 Pt Pt3 1 1.50264578 1.50264578 1.50264578 1 [/CIF]
IrLiNiPt
F-43m
216
cubic
-43m
13,854.648994
false
[CIF] data_SrCa2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56568170 _cell_length_b 3.56568170 _cell_length_c 9.60550180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa2B _chemical_formula_sum 'Sr1 Ca2 B1' _cell_volume 122.12517548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.37664347 1 Ca Ca1 1 1.78284085 1.78284085 8.76971297 1 Ca Ca2 1 0.00000000 0.00000000 2.24012338 1 Sr Sr3 1 1.78284085 1.78284085 5.62727478 1 [/CIF]
BCa2Sr
P4mm
99
tetragonal
4mm
2,428.257922
false
[CIF] data_LiCrRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45341180 _cell_length_b 4.45341180 _cell_length_c 4.45341180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrRuPb _chemical_formula_sum 'Li1 Cr1 Ru1 Pb1' _cell_volume 62.45447578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57451884 1.57451884 1.57451884 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 4.72355652 4.72355652 4.72355652 1 Ru Ru3 1 3.14903768 3.14903768 3.14903768 1 [/CIF]
CrLiPbRu
F-43m
216
cubic
-43m
9,763.299227
false
[CIF] data_LiVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33677238 _cell_length_b 4.05304236 _cell_length_c 4.47359285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVAs2 _chemical_formula_sum 'Li1 V1 As2' _cell_volume 60.50122670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.66838619 2.02652118 0.00000000 1 As As1 1 1.66838619 0.00000000 2.23679643 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 2.02652118 2.23679643 1 [/CIF]
As2LiV
Pmmm
47
orthorhombic
mmm
5,701.316465
false
[CIF] data_SrMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23527918 _cell_length_b 6.23527918 _cell_length_c 6.23527918 _cell_angle_alpha 152.48895933 _cell_angle_beta 142.65389156 _cell_angle_gamma 47.00712580 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMoPd _chemical_formula_sum 'Sr1 Mo1 Pd1' _cell_volume 67.69636419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50699007 1 Pd Pd1 1 0.00000000 -0.00000000 7.16807219 1 Sr Sr2 1 0.00000000 0.00000000 3.76087967 1 [/CIF]
MoPdSr
Imm2
44
orthorhombic
mm2
7,113.47404
false
[CIF] data_InMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30965454 _cell_length_b 3.30965454 _cell_length_c 7.07879535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMoAs2 _chemical_formula_sum 'In1 Mo1 As2' _cell_volume 77.53980176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.65482727 1.65482727 6.80314614 1 As As1 1 0.00000000 0.00000000 1.39895904 1 In In2 1 1.65482727 1.65482727 3.76722934 1 Mo Mo3 1 0.00000000 0.00000000 5.72765386 1 [/CIF]
As2InMo
P4mm
99
tetragonal
4mm
7,722.815602
false
[CIF] data_Li2CaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67576212 _cell_length_b 4.70600135 _cell_length_c 5.87366007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaRe _chemical_formula_sum 'Li2 Ca1 Re1' _cell_volume 73.96195079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.29201122 1 Li Li1 1 1.33788106 2.35300068 0.10780698 1 Li Li2 1 0.00000000 0.00000000 1.59788552 1 Re Re3 1 1.33788106 2.35300068 2.81278644 1 [/CIF]
CaLi2Re
Pmm2
25
orthorhombic
mm2
5,392.052018
false
[CIF] data_CaCo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05027897 _cell_length_b 3.05027897 _cell_length_c 6.86591250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo2Rh _chemical_formula_sum 'Ca1 Co2 Rh1' _cell_volume 63.88183541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14863841 1 Co Co1 1 1.52513948 1.52513948 0.49224452 1 Co Co2 1 0.00000000 0.00000000 1.56333360 1 Rh Rh3 1 1.52513948 1.52513948 3.09465221 1 [/CIF]
CaCo2Rh
P4mm
99
tetragonal
4mm
6,780.510142
false
[CIF] data_GaFe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25625865 _cell_length_b 4.25625865 _cell_length_c 3.14041907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFe2Te _chemical_formula_sum 'Ga1 Fe2 Te1' _cell_volume 56.89100813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12812933 0.00000000 1.57020954 1 Fe Fe1 1 0.00000000 2.12812933 1.57020954 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.12812933 2.12812933 0.00000000 1 [/CIF]
Fe2GaTe
P4/mmm
123
tetragonal
4/mmm
9,019.494916
false
[CIF] data_Mn2CrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.40907393 _cell_length_b 3.80001193 _cell_length_c 4.92524041 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.56132942 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrNi _chemical_formula_sum 'Mn2 Cr1 Ni1' _cell_volume 44.32433506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.77648380 1.90000597 1.22948511 1 Mn Mn2 1 0.72985317 1.90000597 3.61231818 1 Ni Ni3 1 -0.45136848 0.00000000 2.42090165 1 [/CIF]
CrMn2Ni
P2/m
10
monoclinic
2/m
8,263.130816
false
[CIF] data_K2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97374930 _cell_length_b 4.97374930 _cell_length_c 4.97374930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PW _chemical_formula_sum 'K2 P1 W1' _cell_volume 87.00349041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51697186 3.51697186 3.51697186 1 K K1 1 1.75848593 1.75848593 1.75848593 1 P P2 1 0.00000000 -0.00000000 0.00000000 1 W W3 1 5.27545779 5.27545779 5.27545779 1 [/CIF]
K2PW
F-43m
216
cubic
-43m
5,592.363602
false
[CIF] data_TcNiAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53096235 _cell_length_b 4.53096235 _cell_length_c 4.53096235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiAgSn _chemical_formula_sum 'Tc1 Ni1 Ag1 Sn1' _cell_volume 65.77431915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20387420 3.20387420 3.20387420 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.80581130 4.80581130 4.80581130 1 Tc Tc3 1 1.60193710 1.60193710 1.60193710 1 [/CIF]
AgNiSnTc
F-43m
216
cubic
-43m
9,698.956275
false
[CIF] data_Ba2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31997636 _cell_length_b 5.31997636 _cell_length_c 3.71868322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BRu _chemical_formula_sum 'Ba2 B1 Ru1' _cell_volume 105.24672461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 2.65998818 1.85934161 1 Ba Ba2 1 2.65998818 0.00000000 1.85934161 1 Ru Ru3 1 2.65998818 2.65998818 0.00000000 1 [/CIF]
BBa2Ru
P4/mmm
123
tetragonal
4/mmm
6,098.588536
false
[CIF] data_NpNbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71808560 _cell_length_b 4.71808560 _cell_length_c 4.71808560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpNbPt2 _chemical_formula_sum 'Np1 Nb1 Pt2' _cell_volume 74.26470341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 3.33619032 3.33619032 3.33619032 1 Pt Pt2 1 5.00428549 5.00428549 5.00428549 1 Pt Pt3 1 1.66809516 1.66809516 1.66809516 1 [/CIF]
NbNpPt2
Fm-3m
225
cubic
m-3m
16,100.672108
false
[CIF] data_Zn2NiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74041977 _cell_length_b 7.74041977 _cell_length_c 7.74041977 _cell_angle_alpha 23.68430343 _cell_angle_beta 23.68430343 _cell_angle_gamma 23.68430343 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiSe _chemical_formula_sum 'Zn2 Ni1 Se1' _cell_volume 65.72919404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.37372898 1 Se Se1 1 0.00000000 0.00000000 5.30408594 1 Zn Zn2 1 0.00000000 0.00000000 0.09358044 1 Zn Zn3 1 -0.00000000 -0.00000000 17.06843370 1 [/CIF]
NiSeZn2
R3m
160
trigonal
3m
6,781.019342
false
[CIF] data_Al4Ni5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08739624 _cell_length_b 7.08739624 _cell_length_c 5.02791540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4Ni5 _chemical_formula_sum 'Al8 Ni10' _cell_volume 218.72177491 _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 Al Al0 1 0.00000000 0.00000000 2.51395770 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 1.31225161 2.27288647 3.77093655 1 Al Al3 1 4.46289302 0.00000000 3.77093655 1 Al Al4 1 -2.23144651 3.86497873 3.77093655 1 Al Al5 1 2.23144651 3.86497873 1.25697885 1 Al Al6 1 2.62450323 0.00000000 1.25697885 1 Al Al7 1 -1.31225161 2.27288647 1.25697885 1 Ni Ni8 1 2.47877672 4.29336722 3.77093655 1 Ni Ni9 1 2.12984280 0.00000000 3.77093655 1 Ni Ni10 1 -1.06492140 1.84449797 3.77093655 1 Ni Ni11 1 1.06492140 1.84449797 1.25697885 1 Ni Ni12 1 4.95755344 0.00000000 1.25697885 1 Ni Ni13 1 -2.47877672 4.29336722 1.25697885 1 Ni Ni14 1 -0.00000000 4.09191013 2.51395770 1 Ni Ni15 1 3.54369812 2.04595506 0.00000000 1 Ni Ni16 1 3.54369812 2.04595506 2.51395770 1 Ni Ni17 1 -0.00000000 4.09191013 0.00000000 1 [/CIF]
Al8Ni10
P6_3/mcm
193
hexagonal
6/mmm
6,094.765955
false
[CIF] data_LiMgFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30021930 _cell_length_b 4.30021930 _cell_length_c 4.30021930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgFeW _chemical_formula_sum 'Li1 Mg1 Fe1 W1' _cell_volume 56.22854107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52035712 1.52035712 1.52035712 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.04071423 3.04071423 3.04071423 1 W W3 1 4.56107135 4.56107135 4.56107135 1 [/CIF]
FeLiMgW
F-43m
216
cubic
-43m
8,001.123651
false
[CIF] data_BaTl2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22475980 _cell_length_b 4.00376379 _cell_length_c 8.23832880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2W _chemical_formula_sum 'Ba1 Tl2 W1' _cell_volume 106.36651736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 1.61237990 2.00188189 2.48523449 1 Tl Tl2 1 1.61237990 2.00188189 5.75309431 1 W W3 1 0.00000000 0.00000000 4.11916440 1 [/CIF]
BaTl2W
Pmmm
47
orthorhombic
mmm
11,395.345913
false
[CIF] data_ScFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94603190 _cell_length_b 4.44021171 _cell_length_c 4.46208494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeOs2 _chemical_formula_sum 'Sc1 Fe1 Os2' _cell_volume 58.36855693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47301595 0.00000000 2.23104247 1 Os Os1 1 1.47301595 2.22010585 0.00000000 1 Os Os2 1 0.00000000 2.22010585 2.23104247 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeOs2Sc
Pmmm
47
orthorhombic
mmm
13,691.49055
false
[CIF] data_Fe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79872933 _cell_length_b 3.79872933 _cell_length_c 3.79872933 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Si _chemical_formula_sum 'Fe2 Si1' _cell_volume 38.76145336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02916091 4.02916091 4.02916091 1 Fe Fe1 1 1.34305364 1.34305364 1.34305364 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2Si
Fm-3m
225
cubic
m-3m
5,987.976668
false
[CIF] data_HfOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97356100 _cell_length_b 3.97356100 _cell_length_c 3.97356100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfOs3 _chemical_formula_sum 'Hf1 Os3' _cell_volume 62.73929777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.98678050 1.98678050 0.00000000 1 Os Os2 1 1.98678050 0.00000000 1.98678050 1 Os Os3 1 0.00000000 1.98678050 1.98678050 1 [/CIF]
HfOs3
Pm-3m
221
cubic
m-3m
19,828.762868
false
[CIF] data_La2NbSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65822139 _cell_length_b 4.65822139 _cell_length_c 4.42358885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbSi _chemical_formula_sum 'La2 Nb1 Si1' _cell_volume 95.98757176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32911069 2.21179442 1 La La1 1 2.32911069 0.00000000 2.21179442 1 Nb Nb2 1 2.32911069 2.32911069 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2NbSi
P4/mmm
123
tetragonal
4/mmm
6,899.09798
false
[CIF] data_TaRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86162867 _cell_length_b 4.86162867 _cell_length_c 4.86162867 _cell_angle_alpha 131.79879547 _cell_angle_beta 131.79879547 _cell_angle_gamma 70.54699380 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRe2Ir _chemical_formula_sum 'Ta1 Re2 Ir1' _cell_volume 62.56837280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98519772 -0.00000000 1.98452849 1 Re Re1 1 0.00000000 -0.00000000 3.96905698 1 Re Re2 1 -0.00000000 1.98519772 1.98452849 1 Ta Ta3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrRe2Ta
I-4m2
119
tetragonal
-42m
19,787.359046
false
[CIF] data_FeReNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19186094 _cell_length_b 4.19186094 _cell_length_c 4.19186094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReNiIr _chemical_formula_sum 'Fe1 Re1 Ni1 Ir1' _cell_volume 52.08415285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 2.96409330 2.96409330 2.96409330 1 Ni Ni2 1 4.44613995 4.44613995 4.44613995 1 Re Re3 1 1.48204665 1.48204665 1.48204665 1 [/CIF]
FeIrNiRe
F-43m
216
cubic
-43m
15,716.552516
false
[CIF] data_NiTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71554836 _cell_length_b 4.71554836 _cell_length_c 4.71554836 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTe2Ir _chemical_formula_sum 'Ni1 Te2 Ir1' _cell_volume 74.14495593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33439622 3.33439622 3.33439622 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.66719811 1.66719811 1.66719811 1 Te Te3 1 5.00159433 5.00159433 5.00159433 1 [/CIF]
IrNiTe2
Fm-3m
225
cubic
m-3m
11,334.780808
false
[CIF] data_KHfGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31556957 _cell_length_b 5.31556957 _cell_length_c 5.31556957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfGaPb _chemical_formula_sum 'K1 Hf1 Ga1 Pb1' _cell_volume 106.20242226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75867529 3.75867529 3.75867529 1 Hf Hf1 1 1.87933764 1.87933764 1.87933765 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 5.63801293 5.63801293 5.63801293 1 [/CIF]
GaHfKPb
F-43m
216
cubic
-43m
7,731.983085
false
[CIF] data_CdCu2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02201539 _cell_length_b 3.46328682 _cell_length_c 6.00472739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCu2Ge _chemical_formula_sum 'Cd1 Cu2 Ge1' _cell_volume 62.84611378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00236369 1 Cu Cu1 1 1.51100769 1.73164341 4.66752042 1 Cu Cu2 1 1.51100769 1.73164341 1.33720697 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCu2Ge
Pmmm
47
orthorhombic
mmm
8,247.635944
false
[CIF] data_TbAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33076931 _cell_length_b 4.33076931 _cell_length_c 4.33076931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbAgO3 _chemical_formula_sum 'Tb1 Ag1 O3' _cell_volume 81.22601589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 2.16538466 0.00000000 2.16538466 1 O O2 1 0.00000000 2.16538466 2.16538466 1 O O3 1 2.16538466 2.16538466 0.00000000 1 Tb Tb4 1 2.16538466 2.16538466 2.16538466 1 [/CIF]
AgO3Tb
Pm-3m
221
cubic
m-3m
6,435.425805
false
[CIF] data_AlCdMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39102736 _cell_length_b 4.33291806 _cell_length_c 4.52133202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdMo2 _chemical_formula_sum 'Al1 Cd1 Mo2' _cell_volume 66.43212891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.69551368 2.16645903 0.00000000 1 Mo Mo2 1 1.69551368 0.00000000 2.26066601 1 Mo Mo3 1 0.00000000 2.16645903 2.26066601 1 [/CIF]
AlCdMo2
Pmmm
47
orthorhombic
mmm
8,281.496057
false
[CIF] data_SrZrTaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83149472 _cell_length_b 4.83149472 _cell_length_c 4.83149472 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrTaIr _chemical_formula_sum 'Sr1 Zr1 Ta1 Ir1' _cell_volume 79.74978668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41638268 3.41638268 3.41638268 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.12457402 5.12457402 5.12457402 1 Zr Zr3 1 1.70819134 1.70819134 1.70819134 1 [/CIF]
IrSrTaZr
F-43m
216
cubic
-43m
11,493.852818
false
[CIF] data_CaYMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92397878 _cell_length_b 9.92397878 _cell_length_c 9.92397878 _cell_angle_alpha 19.83512514 _cell_angle_beta 19.83512514 _cell_angle_gamma 19.83512514 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYMn2 _chemical_formula_sum 'Ca1 Y1 Mn2' _cell_volume 98.42560269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 0.00000000 7.18985219 1 Mn Mn2 1 -0.00000000 0.00000000 21.98738392 1 Y Y3 1 -0.00000000 -0.00000000 14.58861806 1 [/CIF]
CaMn2Y
R-3m
166
trigonal
-3m
4,029.807803
false
[CIF] data_KCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22430005 _cell_length_b 5.22430005 _cell_length_c 5.22430005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuSn _chemical_formula_sum 'K1 Cu1 Sn1' _cell_volume 100.82525696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 5.54120699 5.54120699 5.54120699 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.84706900 1.84706900 1.84706900 1 [/CIF]
CuKSn
F-43m
216
cubic
-43m
3,645.589149
false
[CIF] data_BiMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53805648 _cell_length_b 9.53805648 _cell_length_c 9.53805648 _cell_angle_alpha 18.39330336 _cell_angle_beta 18.39330336 _cell_angle_gamma 18.39330336 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMoPt2 _chemical_formula_sum 'Bi1 Mo1 Pt2' _cell_volume 75.46178540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.06133835 1 Mo Mo1 1 0.00000000 0.00000000 -0.00000000 1 Pt Pt2 1 -0.00000000 0.00000000 7.28763001 1 Pt Pt3 1 0.00000000 -0.00000000 20.83504669 1 [/CIF]
BiMoPt2
R-3m
166
trigonal
-3m
15,295.883178
false
[CIF] data_FeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01806108 _cell_length_b 4.01806108 _cell_length_c 4.88385814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2 _chemical_formula_sum 'Fe2 Ni4' _cell_volume 68.28522434 _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 -0.00000000 2.31982864 1.22096454 1 Fe Fe1 1 2.00903054 1.15991432 3.66289360 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 2.44192907 1 Ni Ni4 1 -0.00000000 2.31982864 3.66289360 1 Ni Ni5 1 2.00903054 1.15991432 1.22096454 1 [/CIF]
Fe2Ni4
P6_3/mmc
194
hexagonal
6/mmm
8,425.195071
false
[CIF] data_Be2TcTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22414348 _cell_length_b 3.22414348 _cell_length_c 5.30746939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TcTe _chemical_formula_sum 'Be2 Tc1 Te1' _cell_volume 55.17168132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61207174 1.61207174 4.28048462 1 Be Be1 1 1.61207174 1.61207174 1.02698477 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 2.65373470 1 [/CIF]
Be2TcTe
P4/mmm
123
tetragonal
4/mmm
7,359.80026
false
[CIF] data_Bi2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82814149 _cell_length_b 4.82814149 _cell_length_c 4.82814149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2OsW _chemical_formula_sum 'Bi2 Os1 W1' _cell_volume 79.58385441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12101739 5.12101739 5.12101739 1 Bi Bi1 1 1.70700580 1.70700580 1.70700580 1 Os Os2 1 3.41401159 3.41401159 3.41401159 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2OsW
Fm-3m
225
cubic
m-3m
16,525.941036
false
[CIF] data_AlNi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83923054 _cell_length_b 4.06883082 _cell_length_c 4.25126945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi2Rh _chemical_formula_sum 'Al1 Ni2 Rh1' _cell_volume 49.11214720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36721689 1 Ni Ni1 1 0.00000000 2.03441541 3.89871554 1 Ni Ni2 1 1.41961527 0.00000000 3.57516409 1 Rh Rh3 1 1.41961527 2.03441541 1.78707710 1 [/CIF]
AlNi2Rh
Pmm2
25
orthorhombic
mm2
8,360.670847
false
[CIF] data_ScNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46203275 _cell_length_b 8.46203275 _cell_length_c 8.46203275 _cell_angle_alpha 21.03163996 _cell_angle_beta 21.03163996 _cell_angle_gamma 21.03163996 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbTc2 _chemical_formula_sum 'Sc1 Nb1 Tc2' _cell_volume 68.34538752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.40798794 1 Sc Sc1 1 -0.00000000 -0.00000000 -0.00000000 1 Tc Tc2 1 -0.00000000 -0.00000000 6.10362700 1 Tc Tc3 1 0.00000000 0.00000000 18.71234889 1 [/CIF]
NbScTc2
R-3m
166
trigonal
-3m
8,155.648243
false
[CIF] data_Tc2GeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79161965 _cell_length_b 3.98519335 _cell_length_c 5.33295487 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.17995405 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2GeOs _chemical_formula_sum 'Tc2 Ge1 Os1' _cell_volume 58.39589073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 -0.47127426 0.00000000 2.62450043 1 Tc Tc2 1 0.91563959 1.99259668 3.94340385 1 Tc Tc3 1 0.93343154 1.99259668 1.30559700 1 [/CIF]
GeOsTc2
P2/m
10
monoclinic
2/m
13,099.913588
false
[CIF] data_La2NiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10405025 _cell_length_b 5.10405025 _cell_length_c 3.61531633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NiPd _chemical_formula_sum 'La2 Ni1 Pd1' _cell_volume 94.18379517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55202513 0.00000000 1.80765817 1 La La1 1 0.00000000 2.55202513 1.80765817 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.55202513 2.55202513 0.00000000 1 [/CIF]
La2NiPd
P4/mmm
123
tetragonal
4/mmm
7,809.127807
false
[CIF] data_Be2ZnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06119850 _cell_length_b 3.06119850 _cell_length_c 7.27679364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ZnBr _chemical_formula_sum 'Be2 Zn1 Br1' _cell_volume 68.19036935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53059925 1.53059925 0.16679321 1 Be Be1 1 0.00000000 0.00000000 1.51982341 1 Br Br2 1 1.53059925 1.53059925 2.88362712 1 Zn Zn3 1 0.00000000 0.00000000 6.34494680 1 [/CIF]
Be2BrZn
P4mm
99
tetragonal
4mm
3,976.806709
false
[CIF] data_Rb2SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97634348 _cell_length_b 5.97634348 _cell_length_c 5.97634348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2SbW _chemical_formula_sum 'Rb2 Sb1 W1' _cell_volume 150.93558811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.33886950 6.33886950 6.33886950 1 Rb Rb1 1 2.11295650 2.11295650 2.11295650 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.22591300 4.22591300 4.22591300 1 [/CIF]
Rb2SbW
Fm-3m
225
cubic
m-3m
5,242.673317
false