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_Y3NiH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70100273 _cell_length_b 4.70100273 _cell_length_c 4.70100273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3NiH _chemical_formula_sum 'Y3 Ni1 H1' _cell_volume 103.88946510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 2.35050137 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.35050137 1 Y Y2 1 2.35050137 0.00000000 0.00000000 1 Ni Ni3 1 2.35050137 2.35050137 2.35050137 1 H H4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HNiY3
Pm-3m
221
cubic
m-3m
5,217.384827
false
[CIF] data_BeV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50416247 _cell_length_b 2.50416247 _cell_length_c 3.46540318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV _chemical_formula_sum 'Be1 V1' _cell_volume 21.73095313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.25208124 1.25208124 1.73270159 1 [/CIF]
Be2V2
P4/mmm
123
tetragonal
4/mmm
4,581.273106
false
[CIF] data_Mg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43886598 _cell_length_b 5.43886598 _cell_length_c 5.43404200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 64.24152346 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Sb _chemical_formula_sum 'Mg4 Sb2' _cell_volume 144.77314953 _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 3.11383179 -1.81649947 4.07553150 1 Mg Mg1 1 6.09883821 -1.81649947 4.07553150 1 Mg Mg2 1 3.11383179 1.81649947 1.35851050 1 Mg Mg3 1 6.09883821 1.81649947 1.35851050 1 Sb Sb4 1 4.60633500 1.18658837 4.07553150 1 Sb Sb5 1 4.60633500 -1.18658837 1.35851050 1 [/CIF]
Mg4Sb2
Cmcm
63
orthorhombic
mmm
3,908.266715
false
[CIF] data_LiCr2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42828315 _cell_length_b 2.42828315 _cell_length_c 8.45743761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.52569126 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Fe _chemical_formula_sum 'Li1 Cr2 Fe1' _cell_volume 46.70380045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38366618 0.00000000 8.29314199 1 Cr Cr1 1 0.00000000 0.00000000 6.29361979 1 Fe Fe2 1 1.38366618 0.00000000 4.36074034 1 Li Li3 1 0.00000000 0.00000000 2.19609199 1 [/CIF]
Cr2FeLi
Cmm2
35
orthorhombic
mm2
5,929.746914
false
[CIF] data_Mn2BePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67063746 _cell_length_b 4.67063746 _cell_length_c 4.67063746 _cell_angle_alpha 137.78495780 _cell_angle_beta 137.78495780 _cell_angle_gamma 61.23250572 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BePt _chemical_formula_sum 'Mn2 Be1 Pt1' _cell_volume 45.48637416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.68198656 0.00000000 2.00976968 1 Mn Mn2 1 0.00000000 1.68198656 2.00976968 1 Pt Pt3 1 0.00000000 -0.00000000 4.01953936 1 [/CIF]
BeMn2Pt
I4/mmm
139
tetragonal
4/mmm
11,461.964887
false
[CIF] data_Ce2GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19451107 _cell_length_b 5.19451107 _cell_length_c 5.19451107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2GeRu _chemical_formula_sum 'Ce2 Ge1 Ru1' _cell_volume 99.11035453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 1.83653700 1.83653700 1.83653700 1 Ce Ce1 1 5.50961100 5.50961100 5.50961100 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.67307400 3.67307400 3.67307400 1 [/CIF]
Ce2GeRu
Fm-3m
225
cubic
m-3m
7,605.546651
false
[CIF] data_MnInBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07892848 _cell_length_b 5.07892848 _cell_length_c 5.07892848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInBi _chemical_formula_sum 'Mn1 In1 Bi1' _cell_volume 92.64058614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38701716 5.38701716 5.38701716 1 In In1 1 3.59134477 3.59134477 3.59134477 1 Mn Mn2 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BiInMn
F-43m
216
cubic
-43m
6,788.673184
false
[CIF] data_Mg2TaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41666209 _cell_length_b 4.73070148 _cell_length_c 4.87826177 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaCd _chemical_formula_sum 'Mg2 Ta1 Cd1' _cell_volume 78.84836165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70833104 2.36535074 0.00000000 1 Mg Mg1 1 1.70833104 0.00000000 2.43913088 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 2.36535074 2.43913088 1 [/CIF]
CdMg2Ta
Pmmm
47
orthorhombic
mmm
7,201.83239
false
[CIF] data_KPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04344828 _cell_length_b 7.04344828 _cell_length_c 7.04344828 _cell_angle_alpha 149.31600528 _cell_angle_beta 142.52536099 _cell_angle_gamma 49.18508983 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPb2 _chemical_formula_sum 'K1 Pb2' _cell_volume 108.01683954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 -0.00000000 0.00000000 3.96672563 1 Pb Pb2 1 -0.00000000 0.00000000 8.84235229 1 [/CIF]
KPb2
Immm
71
orthorhombic
mmm
6,971.61338
false
[CIF] data_Sc2MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52184283 _cell_length_b 4.52184283 _cell_length_c 4.52184283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnPt _chemical_formula_sum 'Sc2 Mn1 Pt1' _cell_volume 65.37796405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 3.19742573 3.19742573 3.19742573 1 Pt Pt1 1 1.59871287 1.59871287 1.59871287 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 4.79613860 4.79613860 4.79613860 1 [/CIF]
MnPtSc2
F-43m
216
cubic
-43m
8,634.001956
false
[CIF] data_CdAs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68068475 _cell_length_b 4.68068475 _cell_length_c 4.68068475 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAs2Rh _chemical_formula_sum 'Cd1 As2 Rh1' _cell_volume 72.51255013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96461589 4.96461589 4.96461589 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 1.65487197 1.65487197 1.65487197 1 Rh Rh3 1 3.30974393 3.30974393 3.30974393 1 [/CIF]
As2CdRh
F-43m
216
cubic
-43m
8,362.165533
false
[CIF] data_K2CaHf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15085791 _cell_length_b 9.15085791 _cell_length_c 9.15085791 _cell_angle_alpha 150.42072866 _cell_angle_beta 150.42072866 _cell_angle_gamma 42.32416799 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaHf2 _chemical_formula_sum 'K2 Ca1 Hf2' _cell_volume 186.26277044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 9.79508012 1 Hf Hf2 1 0.00000000 -0.00000000 7.27242116 1 K K3 1 0.00000000 2.33594740 4.26687532 1 K K4 1 2.33594740 0.00000000 4.26687532 1 [/CIF]
CaHf2K2
I4/mmm
139
tetragonal
4/mmm
4,236.911263
false
[CIF] data_AgPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31888996 _cell_length_b 4.31888996 _cell_length_c 4.31888996 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPtRh _chemical_formula_sum 'Ag1 Pt1 Rh1' _cell_volume 56.96412356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58087457 4.58087457 4.58087457 1 Pt Pt1 1 1.52695819 1.52695819 1.52695819 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPtRh
F-43m
216
cubic
-43m
11,831.000361
false
[CIF] data_Fe2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09757957 _cell_length_b 4.32385488 _cell_length_c 5.55231647 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SnBr _chemical_formula_sum 'Fe2 Sn1 Br1' _cell_volume 74.36486480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54878979 2.16192744 0.00000000 1 Fe Fe1 1 1.54878979 0.00000000 2.77615824 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 2.16192744 2.77615824 1 [/CIF]
BrFe2Sn
Pmmm
47
orthorhombic
mmm
6,928.969963
false
[CIF] data_ZrCo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70039310 _cell_length_b 4.70039310 _cell_length_c 4.70039310 _cell_angle_alpha 130.74179053 _cell_angle_beta 130.74179053 _cell_angle_gamma 72.22364204 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCo2Pt _chemical_formula_sum 'Zr1 Co2 Pt1' _cell_volume 58.28259875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95885407 0.00000000 1.89864931 1 Co Co1 1 0.00000000 1.95885407 1.89864931 1 Pt Pt2 1 0.00000000 0.00000000 3.79729861 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2PtZr
I4/mmm
139
tetragonal
4/mmm
11,515.398741
false
[CIF] data_LaTlOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08158025 _cell_length_b 4.78212294 _cell_length_c 5.87064564 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.44494828 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlOs2 _chemical_formula_sum 'La1 Tl1 Os2' _cell_volume 86.48523400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Os Os1 1 0.92131887 2.39106147 1.12963482 1 Os Os2 1 2.01222464 2.39106147 4.73914404 1 Tl Tl3 1 1.46677176 0.00000000 2.93438943 1 [/CIF]
LaOs2Tl
P2/m
10
monoclinic
2/m
13,896.165292
false
[CIF] data_CuIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79759279 _cell_length_b 4.79759279 _cell_length_c 4.79759279 _cell_angle_alpha 129.28690253 _cell_angle_beta 129.28690253 _cell_angle_gamma 74.54937146 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuIr2Pb _chemical_formula_sum 'Cu1 Ir2 Pb1' _cell_volume 64.46093383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.05456887 0.00000000 1.90882098 1 Ir Ir2 1 0.00000000 2.05456887 1.90882098 1 Pb Pb3 1 0.00000000 -0.00000000 3.81764195 1 [/CIF]
CuIr2Pb
I4/mmm
139
tetragonal
4/mmm
16,877.695079
false
[CIF] data_TiTcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92744609 _cell_length_b 4.92744609 _cell_length_c 4.92744609 _cell_angle_alpha 131.37790352 _cell_angle_beta 131.37790352 _cell_angle_gamma 71.21335324 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTcAu2 _chemical_formula_sum 'Ti1 Tc1 Au2' _cell_volume 65.94389635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.02858075 -0.00000000 2.00308795 1 Au Au1 1 0.00000000 -0.00000000 4.00617589 1 Tc Tc2 1 0.00000000 2.02858075 2.00308794 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2TcTi
I-4m2
119
tetragonal
-42m
13,615.573957
false
[CIF] data_ZnP2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14862884 _cell_length_b 3.14862884 _cell_length_c 5.95564042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnP2W _chemical_formula_sum 'Zn1 P2 W1' _cell_volume 59.04340661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.57431442 1.57431442 1.66515573 1 P P1 1 1.57431442 1.57431442 4.29048469 1 W W2 1 0.00000000 0.00000000 2.97782021 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2WZn
P4/mmm
123
tetragonal
4/mmm
8,751.287894
false
[CIF] data_NbCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49493052 _cell_length_b 4.49493052 _cell_length_c 4.49493052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuSn _chemical_formula_sum 'Nb1 Cu1 Sn1' _cell_volume 64.21758225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.76759378 4.76759378 4.76759378 1 Sn Sn2 1 3.17839585 3.17839585 3.17839585 1 [/CIF]
CuNbSn
F-43m
216
cubic
-43m
7,115.152356
false
[CIF] data_TaInCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56228177 _cell_length_b 4.56228177 _cell_length_c 4.56228177 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInCuPd _chemical_formula_sum 'Ta1 In1 Cu1 Pd1' _cell_volume 67.14772694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.83903057 4.83903057 4.83903057 1 Pd Pd2 1 1.61301019 1.61301019 1.61301019 1 Ta Ta3 1 3.22602038 3.22602038 3.22602038 1 [/CIF]
CuInPdTa
F-43m
216
cubic
-43m
11,517.3814
false
[CIF] data_CuMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34794835 _cell_length_b 4.34794835 _cell_length_c 4.34794835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoIr2 _chemical_formula_sum 'Cu1 Mo1 Ir2' _cell_volume 58.12167615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.07446376 3.07446376 3.07446376 1 Ir Ir2 1 1.53723188 1.53723188 1.53723188 1 Mo Mo3 1 4.61169564 4.61169564 4.61169564 1 [/CIF]
CuIr2Mo
F-43m
216
cubic
-43m
15,540.391808
false
[CIF] data_TlVIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51336331 _cell_length_b 4.51336331 _cell_length_c 4.51336331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVIr2 _chemical_formula_sum 'Tl1 V1 Ir2' _cell_volume 65.01085586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78714470 4.78714470 4.78714470 1 Ir Ir1 1 3.19142980 3.19142980 3.19142980 1 Tl Tl2 1 1.59571490 1.59571490 1.59571490 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2TlV
F-43m
216
cubic
-43m
16,341.032071
false
[CIF] data_ZrCrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21892249 _cell_length_b 3.21892249 _cell_length_c 6.44440656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrSe2 _chemical_formula_sum 'Zr1 Cr1 Se2' _cell_volume 66.77347381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.60946125 1.60946125 1.51086160 1 Se Se2 1 1.60946125 1.60946125 4.93354496 1 Zr Zr3 1 0.00000000 0.00000000 3.22220328 1 [/CIF]
CrSe2Zr
P4/mmm
123
tetragonal
4/mmm
7,488.961274
false
[CIF] data_Mn3(HO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58079968 _cell_length_b 7.58079968 _cell_length_c 4.65017491 _cell_angle_alpha 90.15502496 _cell_angle_beta 90.15502496 _cell_angle_gamma 22.43883119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(HO3)2 _chemical_formula_sum 'Mn3 H2 O6' _cell_volume 102.00378610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 5.27292624 0.00000000 2.47177530 1 Mn Mn2 1 9.58609697 -0.00000000 2.17838191 1 H H3 1 2.65234666 0.00000000 4.18543729 1 H H4 1 12.20667654 -0.00000000 0.46471993 1 O O5 1 8.07354144 -0.00000000 3.58684757 1 O O6 1 6.78548177 -0.00000000 1.06330965 1 O O7 1 1.72243182 -0.00000000 0.97760413 1 O O8 1 13.13659138 0.00000000 3.67255308 1 O O9 1 3.02104093 0.00000000 3.25215925 1 O O10 1 11.83798227 0.00000000 1.39799797 1 [/CIF]
H2Mn3O6
C2/m
12
monoclinic
2/m
4,278.601286
false
[CIF] data_Co5Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83999998 _cell_length_b 4.83999998 _cell_length_c 3.95184354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co5Ni3 _chemical_formula_sum 'Co5 Ni3' _cell_volume 80.17170032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.41999997 2.79437649 1.97592177 1 Co Co1 1 3.63000098 0.69859325 1.97592177 1 Co Co2 1 1.20999895 0.69859325 1.97592177 1 Co Co3 1 -0.00000002 2.79437531 1.97592177 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 Ni Ni5 1 -1.21000000 2.09578148 0.00000000 1 Ni Ni6 1 1.20999997 2.09578148 0.00000000 1 Ni Ni7 1 2.41999998 0.00000000 0.00000000 1 [/CIF]
Co5Ni3
P-6m2
187
hexagonal
-6m2
9,750.228687
false
[CIF] data_Na3Mn2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59112000 _cell_length_b 10.29913414 _cell_length_c 10.40371480 _cell_angle_alpha 61.27708227 _cell_angle_beta 89.57862056 _cell_angle_gamma 88.69529174 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Mn2P2(CO7)2 _chemical_formula_sum 'Na6 Mn4 P4 C4 O28' _cell_volume 619.16862767 _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 Na Na0 1 0.28666504 12.78802463 9.02611873 1 Na Na1 1 3.45123330 12.80841848 9.06386266 1 Na Na2 1 0.40811721 10.26274021 4.48458491 1 Na Na3 1 3.45090570 2.48735752 0.05964034 1 Na Na4 1 6.61547396 2.50775137 0.09738427 1 Na Na5 1 6.49402179 5.03303579 4.63891809 1 Mn Mn6 1 5.12285522 10.76750612 7.41580220 1 Mn Mn7 1 5.05776137 8.31250450 2.93140888 1 Mn Mn8 1 1.77928378 4.52826988 1.70770080 1 Mn Mn9 1 1.84437763 6.98327150 6.19209412 1 P P10 1 1.83169513 9.98415358 7.50049568 1 P P11 1 1.77592764 7.52542213 2.90681192 1 P P12 1 5.07044387 5.31162242 1.62300732 1 P P13 1 5.12621136 7.77035387 6.21669108 1 C C14 1 5.19404450 12.73352205 5.95177192 1 C C15 1 5.17976263 10.25528538 1.42801981 1 C C16 1 1.70809450 2.56225395 3.17173108 1 C C17 1 1.72237637 5.04049062 7.69548319 1 O O18 1 1.87173056 11.85646109 3.88511602 1 O O19 1 1.87380922 14.34107226 8.44507932 1 O O20 1 5.11624053 12.76592262 7.28544559 1 O O21 1 5.15733303 10.30258097 2.73449632 1 O O22 1 5.20029708 11.48362691 5.52895230 1 O O23 1 5.10363282 9.00851195 0.98552992 1 O O24 1 0.61518974 10.94148853 7.40930627 1 O O25 1 3.07432180 10.90154045 7.44828187 1 O O26 1 0.56408649 8.47858154 2.77684762 1 O O27 1 3.03490878 8.39091511 2.73125748 1 O O28 1 1.72093050 6.49585644 1.70648737 1 O O29 1 5.08736332 6.13241625 0.29825644 1 O O30 1 1.77527251 8.96332208 6.31860973 1 O O31 1 5.17253814 8.56545373 4.89283430 1 O O32 1 1.81477568 9.16335975 8.82524656 1 O O33 1 5.18120850 8.79991956 7.41701563 1 O O34 1 1.72960086 6.73032227 4.23066870 1 O O35 1 5.12686649 6.33245392 2.80489327 1 O O36 1 3.82781720 4.39423555 1.67522113 1 O O37 1 6.28694926 4.35428747 1.71419673 1 O O38 1 3.86723022 6.90486089 6.39224552 1 O O39 1 6.33805251 6.81719446 6.34665538 1 O O40 1 1.70184192 3.81214909 3.59455070 1 O O41 1 1.79850618 6.28726405 8.13797308 1 O O42 1 1.78589847 2.52985338 1.83805741 1 O O43 1 1.74480597 4.99319503 6.38900668 1 O O44 1 5.03040844 3.43931491 5.23838698 1 O O45 1 5.02832978 0.95470374 0.67842368 1 [/CIF]
C4Mn4Na6O28P4
P-1
2
triclinic
-1
2,621.842558
true
[CIF] data_Lu(MnGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16034873 _cell_length_b 5.16034873 _cell_length_c 8.12209200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu(MnGe)6 _chemical_formula_sum 'Lu1 Mn6 Ge6' _cell_volume 187.30813523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 2.58017437 0.00000000 6.09045627 1 Mn Mn2 1 1.29008718 2.23449655 6.09045627 1 Mn Mn3 1 -1.29008718 2.23449655 6.09045627 1 Mn Mn4 1 2.58017437 0.00000000 2.03163573 1 Mn Mn5 1 1.29008718 2.23449655 2.03163573 1 Mn Mn6 1 -1.29008718 2.23449655 2.03163573 1 Ge Ge7 1 0.00000000 0.00000000 5.33782262 1 Ge Ge8 1 0.00000000 0.00000000 2.78426938 1 Ge Ge9 1 -0.00000000 2.97932873 0.00000000 1 Ge Ge10 1 2.58017437 1.48966437 0.00000000 1 Ge Ge11 1 -0.00000000 2.97932873 4.06104600 1 Ge Ge12 1 2.58017437 1.48966437 4.06104600 1 [/CIF]
Ge6LuMn6
P6/mmm
191
hexagonal
6/mmm
8,337.219973
false
[CIF] data_Li2ScFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62671787 _cell_length_b 4.62671787 _cell_length_c 4.62671787 _cell_angle_alpha 127.20799818 _cell_angle_beta 127.20799818 _cell_angle_gamma 77.91159988 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScFe _chemical_formula_sum 'Li2 Sc1 Fe1' _cell_volume 60.88891424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05691227 1.79894011 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 2.05691227 -0.00000000 1.79894011 1 Sc Sc3 1 0.00000000 0.00000000 3.59788022 1 [/CIF]
FeLi2Sc
I-4m2
119
tetragonal
-42m
3,127.588298
false
[CIF] data_ZnCrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62875309 _cell_length_b 3.82638431 _cell_length_c 6.41253637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrCl2 _chemical_formula_sum 'Zn1 Cr1 Cl2' _cell_volume 89.03809243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.81437655 0.00000000 3.20626818 1 Cr Cr2 1 1.81437655 1.91319216 0.00000000 1 Zn Zn3 1 0.00000000 1.91319216 3.20626818 1 [/CIF]
Cl2CrZn
Pmmm
47
orthorhombic
mmm
3,511.416002
false
[CIF] data_SrTlFe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64694223 _cell_length_b 7.64694223 _cell_length_c 12.59756769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.82785697 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlFe6 _chemical_formula_sum 'Sr4 Tl4 Fe24' _cell_volume 548.91753047 _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 Fe Fe0 1 3.12078243 3.79369366 3.69884252 1 Fe Fe1 1 4.55071851 -1.54791748 4.95846601 1 Fe Fe2 1 1.69084635 1.54791748 4.95846601 1 Fe Fe3 1 3.12078243 -3.79369366 3.69884252 1 Fe Fe4 1 1.69084635 -1.54791748 4.95846601 1 Fe Fe5 1 4.55071851 1.54791748 4.95846601 1 Fe Fe6 1 3.12078243 0.00000000 0.00000000 1 Fe Fe7 1 1.87448564 2.31649040 2.39640708 1 Fe Fe8 1 1.87448564 -2.31649040 2.39640708 1 Fe Fe9 1 3.12078243 3.79369366 8.89872517 1 Fe Fe10 1 4.36707922 -2.31649040 10.20116061 1 Fe Fe11 1 1.87448564 2.31649040 10.20116061 1 Fe Fe12 1 3.12078243 -3.79369366 8.89872517 1 Fe Fe13 1 1.87448564 -2.31649040 10.20116061 1 Fe Fe14 1 4.36707922 2.31649040 10.20116061 1 Fe Fe15 1 3.12078243 0.00000000 6.29878385 1 Fe Fe16 1 1.69084635 1.54791748 7.63910168 1 Fe Fe17 1 1.69084635 -1.54791748 7.63910168 1 Fe Fe18 1 0.00000000 0.00000000 0.00000000 1 Fe Fe19 1 4.36707922 2.31649040 2.39640708 1 Fe Fe20 1 4.36707922 -2.31649040 2.39640708 1 Fe Fe21 1 0.00000000 0.00000000 6.29878385 1 Fe Fe22 1 4.55071851 1.54791748 7.63910168 1 Fe Fe23 1 4.55071851 -1.54791748 7.63910168 1 Sr Sr24 1 3.12078243 4.02228077 0.00000000 1 Sr Sr25 1 3.12078243 -4.02228077 0.00000000 1 Sr Sr26 1 0.00000000 0.00000000 2.87896762 1 Sr Sr27 1 0.00000000 0.00000000 9.71860007 1 Tl Tl28 1 3.12078243 3.62521926 6.29878385 1 Tl Tl29 1 3.12078243 -3.62521926 6.29878385 1 Tl Tl30 1 3.12078243 0.00000000 3.01246253 1 Tl Tl31 1 3.12078243 0.00000000 9.58510516 1 [/CIF]
Fe24Sr4Tl4
Cmmm
65
orthorhombic
mmm
7,587.877264
false
[CIF] data_LiTaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01619846 _cell_length_b 3.01619846 _cell_length_c 8.04639544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaHg2 _chemical_formula_sum 'Li1 Ta1 Hg2' _cell_volume 73.20170534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50809923 1.50809923 6.16620379 1 Hg Hg1 1 1.50809923 1.50809923 1.88019165 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 4.02319772 1 [/CIF]
Hg2LiTa
P4/mmm
123
tetragonal
4/mmm
13,362.709957
false
[CIF] data_IrPtW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48368451 _cell_length_b 4.48368451 _cell_length_c 4.48368451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPtW2 _chemical_formula_sum 'Ir1 Pt1 W2' _cell_volume 63.73678313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pt Pt1 1 3.17044372 3.17044372 3.17044372 1 W W2 1 1.58522186 1.58522186 1.58522186 1 W W3 1 4.75566558 4.75566558 4.75566558 1 [/CIF]
IrPtW2
Fm-3m
225
cubic
m-3m
19,669.575141
false
[CIF] data_SrSiRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29075968 _cell_length_b 5.29075968 _cell_length_c 5.29075968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiRh4 _chemical_formula_sum 'Sr1 Si1 Rh4' _cell_volume 104.72228474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79733335 2.79733335 4.68493075 1 Rh Rh1 1 2.79733335 4.68493075 2.79733335 1 Rh Rh2 1 4.68493075 2.79733335 2.79733335 1 Rh Rh3 1 4.68493075 4.68493075 4.68493075 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 1.87056602 1.87056602 1.87056602 1 [/CIF]
Rh4SiSr
F-43m
216
cubic
-43m
8,361.619658
false
[CIF] data_ZrS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06842527 _cell_length_b 4.06842527 _cell_length_c 4.06842527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrS _chemical_formula_sum 'Zr1 S1' _cell_volume 47.61721958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Zr Zr1 1 4.31521665 4.31521665 4.31521665 1 [/CIF]
SZr
F-43m
216
cubic
-43m
4,299.41527
false
[CIF] data_GePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97246878 _cell_length_b 2.97246878 _cell_length_c 8.30817873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePd3 _chemical_formula_sum 'Ge1 Pd3' _cell_volume 63.57275995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 0.00000000 4.15408936 1 Pd Pd2 1 0.00000000 1.71615565 1.88341095 1 Pd Pd3 1 -0.00000000 1.71615565 6.42476778 1 [/CIF]
GePd3
P-6m2
187
hexagonal
-6m2
10,236.542473
false
[CIF] data_NaMgTaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68472503 _cell_length_b 4.68472503 _cell_length_c 4.68472503 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgTaW _chemical_formula_sum 'Na1 Mg1 Ta1 W1' _cell_volume 72.70048675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 3.31260084 3.31260084 3.31260084 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.96890126 4.96890126 4.96890126 1 W W3 1 1.65630042 1.65630042 1.65630042 1 [/CIF]
MgNaTaW
F-43m
216
cubic
-43m
9,412.307515
false
[CIF] data_Be2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63324587 _cell_length_b 2.63324587 _cell_length_c 7.45418291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.36127919 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ReGe _chemical_formula_sum 'Be2 Re1 Ge1' _cell_volume 51.59826507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.29177639 1 Be Be1 1 1.80657580 0.00000000 6.02767086 1 Ge Ge2 1 0.00000000 0.00000000 3.80859199 1 Re Re3 1 1.80657580 0.00000000 1.50741804 1 [/CIF]
Be2GeRe
Cmm2
35
orthorhombic
mm2
8,910.294091
false
[CIF] data_La2CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26178606 _cell_length_b 5.26178606 _cell_length_c 5.26178606 _cell_angle_alpha 119.65863491 _cell_angle_beta 119.65863491 _cell_angle_gamma 90.59228564 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdCo _chemical_formula_sum 'La2 Cd1 Co1' _cell_volume 103.53674743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70136422 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.64445604 -0.00000000 1.85068211 1 La La3 1 -0.00000000 2.64445604 1.85068211 1 [/CIF]
CdCoLa2
I4/mmm
139
tetragonal
4/mmm
7,203.622551
false
[CIF] data_HgBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59906155 _cell_length_b 3.59906155 _cell_length_c 9.49129839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.02998694 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBi2Se _chemical_formula_sum 'Hg1 Bi2 Se1' _cell_volume 113.14456697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98566974 -0.00000000 2.20923277 1 Bi Bi1 1 1.98566974 -0.00000000 7.28206562 1 Hg Hg2 1 0.00000000 0.00000000 4.74564920 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2HgSe
Cmmm
65
orthorhombic
mmm
10,236.849756
false
[CIF] data_TeOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58922454 _cell_length_b 4.58922454 _cell_length_c 4.58922454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOsW2 _chemical_formula_sum 'Te1 Os1 W2' _cell_volume 68.34439805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86760769 4.86760769 4.86760768 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.62253589 1.62253589 1.62253589 1 W W3 1 3.24507179 3.24507179 3.24507179 1 [/CIF]
OsTeW2
F-43m
216
cubic
-43m
16,655.587992
false
[CIF] data_HfTaGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62294793 _cell_length_b 4.62294793 _cell_length_c 4.62294793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaGaW _chemical_formula_sum 'Hf1 Ta1 Ga1 W1' _cell_volume 69.86215976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 3.26891783 3.26891783 3.26891783 1 Ta Ta2 1 4.90337675 4.90337675 4.90337675 1 W W3 1 1.63445891 1.63445891 1.63445891 1 [/CIF]
GaHfTaW
F-43m
216
cubic
-43m
14,570.289733
false
[CIF] data_BaMgFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83140493 _cell_length_b 4.83140493 _cell_length_c 4.83140493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgFeW _chemical_formula_sum 'Ba1 Mg1 Fe1 W1' _cell_volume 79.74534056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.12447879 5.12447879 5.12447879 1 Fe Fe1 1 1.70815960 1.70815960 1.70815959 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.41631919 3.41631919 3.41631919 1 [/CIF]
BaFeMgW
F-43m
216
cubic
-43m
8,356.633152
false
[CIF] data_CaIn4Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32280774 _cell_length_b 6.32280774 _cell_length_c 6.32280774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn4Te _chemical_formula_sum 'Ca1 In4 Te1' _cell_volume 178.73719217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.58970289 5.58970289 3.35209757 1 In In2 1 5.58970289 3.35209757 5.58970289 1 In In3 1 3.35209757 5.58970289 5.58970289 1 In In4 1 3.35209757 3.35209757 3.35209757 1 Te Te5 1 6.70635034 6.70635034 6.70635034 1 [/CIF]
CaIn4Te
F-43m
216
cubic
-43m
5,824.61297
false
[CIF] data_SrZnReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68857867 _cell_length_b 4.68857867 _cell_length_c 4.68857867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnReOs _chemical_formula_sum 'Sr1 Zn1 Re1 Os1' _cell_volume 72.88004362 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.65766288 1.65766288 1.65766288 1 Re Re1 1 4.97298865 4.97298865 4.97298866 1 Sr Sr2 1 3.31532577 3.31532577 3.31532577 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsReSrZn
F-43m
216
cubic
-43m
12,062.984298
false
[CIF] data_HfZrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70745136 _cell_length_b 4.70745136 _cell_length_c 4.70745136 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrAs _chemical_formula_sum 'Hf1 Zr1 As1' _cell_volume 73.76367177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 3.32867078 3.32867078 3.32867078 1 Zr Zr2 1 4.99300617 4.99300617 4.99300617 1 [/CIF]
AsHfZr
F-43m
216
cubic
-43m
7,758.302479
false
[CIF] data_LaTi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90460701 _cell_length_b 2.90460701 _cell_length_c 9.66496536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi2W _chemical_formula_sum 'La1 Ti2 W1' _cell_volume 81.54081805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.09052371 1 Ti Ti1 1 1.45230350 1.45230350 0.48813053 1 Ti Ti2 1 0.00000000 0.00000000 2.41252168 1 W W3 1 1.45230350 1.45230350 4.50627222 1 [/CIF]
LaTi2W
P4mm
99
tetragonal
4mm
8,522.130697
false
[CIF] data_KRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73358962 _cell_length_b 2.73358962 _cell_length_c 9.60222712 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRu2Pt _chemical_formula_sum 'K1 Ru2 Pt1' _cell_volume 71.75275940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 4.80111356 1 Ru Ru2 1 1.36679481 1.36679481 6.75898933 1 Ru Ru3 1 1.36679481 1.36679481 2.84323779 1 [/CIF]
KPtRu2
P4/mmm
123
tetragonal
4/mmm
10,097.593888
false
[CIF] data_YAlFeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58965337 _cell_length_b 4.58965337 _cell_length_c 4.58965337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlFeTc _chemical_formula_sum 'Y1 Al1 Fe1 Tc1' _cell_volume 68.36355881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24537502 3.24537502 3.24537502 1 Tc Tc2 1 1.62268751 1.62268751 1.62268751 1 Y Y3 1 4.86806253 4.86806253 4.86806253 1 [/CIF]
AlFeTcY
F-43m
216
cubic
-43m
6,573.764695
false
[CIF] data_TiMnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38050883 _cell_length_b 3.38050883 _cell_length_c 5.01306689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnP2 _chemical_formula_sum 'Ti1 Mn1 P2' _cell_volume 57.28852625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.69025442 1.69025442 4.06581517 1 P P1 1 0.00000000 0.00000000 4.66029221 1 P P2 1 1.69025442 1.69025442 1.59753262 1 Ti Ti3 1 0.00000000 0.00000000 2.20902723 1 [/CIF]
MnP2Ti
P4mm
99
tetragonal
4mm
4,775.466395
false
[CIF] data_TcHgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83252758 _cell_length_b 4.49540679 _cell_length_c 5.06173466 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.76557824 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHgIr2 _chemical_formula_sum 'Tc1 Hg1 Ir2' _cell_volume 64.31376130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.69771297 2.24770339 3.96556861 1 Ir Ir1 1 2.07814879 0.00000000 4.98023859 1 Ir Ir2 1 2.43512018 2.24770339 1.44977962 1 Tc Tc3 1 1.03927060 0.00000000 2.23143038 1 [/CIF]
HgIr2Tc
Pm
6
monoclinic
m
17,658.628463
false
[CIF] data_SrTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69618211 _cell_length_b 6.69618211 _cell_length_c 6.69618211 _cell_angle_alpha 150.43315181 _cell_angle_beta 125.78264703 _cell_angle_gamma 62.96770887 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa _chemical_formula_sum 'Sr2 Ta2' _cell_volume 119.08720021 _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 0.00000000 1.52565716 1.14256483 1 Sr Sr1 1 1.70863828 1.52565716 4.56785468 1 Ta Ta2 1 -0.00000000 1.52565716 7.60753314 1 Ta Ta3 1 1.70863828 1.52565716 -1.89711363 1 [/CIF]
Sr2Ta2
Imma
74
orthorhombic
mmm
7,489.763064
false
[CIF] data_CuTcMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36220093 _cell_length_b 4.36220093 _cell_length_c 4.36220093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcMoPt _chemical_formula_sum 'Cu1 Tc1 Mo1 Pt1' _cell_volume 58.69512081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.08454186 3.08454186 3.08454186 1 Pt Pt2 1 1.54227093 1.54227093 1.54227093 1 Tc Tc3 1 4.62681279 4.62681279 4.62681279 1 [/CIF]
CuMoPtTc
F-43m
216
cubic
-43m
12,829.825483
false
[CIF] data_ScPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78702558 _cell_length_b 5.78702558 _cell_length_c 5.78702558 _cell_angle_alpha 150.05777847 _cell_angle_beta 133.46909400 _cell_angle_gamma 56.32424198 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPt2Cl _chemical_formula_sum 'Sc1 Pt2 Cl1' _cell_volume 69.73833612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 -0.00000000 2.28582676 2.38342192 1 Pt Pt2 1 1.49497378 0.00000000 2.71851051 1 Sc Sc3 1 0.00000000 0.00000000 5.10193243 1 [/CIF]
ClPt2Sc
Immm
71
orthorhombic
mmm
11,204.987862
false
[CIF] data_BiSb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33400894 _cell_length_b 5.33400894 _cell_length_c 5.33400894 _cell_angle_alpha 126.53733976 _cell_angle_beta 126.53733976 _cell_angle_gamma 79.00676623 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiSb2Rh _chemical_formula_sum 'Bi1 Sb2 Rh1' _cell_volume 94.76749279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 2.39927690 2.05782604 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.39927690 -0.00000000 2.05782604 1 Sb Sb3 1 -0.00000000 0.00000000 4.11565208 1 [/CIF]
BiRhSb2
I-4m2
119
tetragonal
-42m
9,731.957316
false
[CIF] data_MgTlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85870803 _cell_length_b 4.85870803 _cell_length_c 4.85870803 _cell_angle_alpha 128.87670396 _cell_angle_beta 128.87670396 _cell_angle_gamma 75.20904330 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlIr2 _chemical_formula_sum 'Mg1 Tl1 Ir2' _cell_volume 67.67142711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09644503 1.92463504 1 Ir Ir1 1 2.09644503 0.00000000 1.92463505 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.84927009 1 [/CIF]
Ir2MgTl
I4/mmm
139
tetragonal
4/mmm
15,044.954352
false
[CIF] data_BaY2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02352213 _cell_length_b 7.02352213 _cell_length_c 7.02352213 _cell_angle_alpha 149.25058756 _cell_angle_beta 135.10979440 _cell_angle_gamma 55.39802301 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Rh _chemical_formula_sum 'Ba1 Y2 Rh1' _cell_volume 124.21056968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86214981 -0.00000000 5.48894518 1 Rh Rh1 1 0.00000000 -0.00000000 2.90133605 1 Y Y2 1 1.86214981 -0.00000000 0.95156182 1 Y Y3 1 0.00000000 -0.00000000 9.31407110 1 [/CIF]
BaRhY2
Imm2
44
orthorhombic
mm2
5,588.725078
false
[CIF] data_LiNb2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48699002 _cell_length_b 3.48699002 _cell_length_c 6.15087571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2Sn _chemical_formula_sum 'Li1 Nb2 Sn1' _cell_volume 74.78910915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 4.57845914 1 Nb Nb1 1 1.74349501 1.74349501 0.13648744 1 Nb Nb2 1 0.00000000 0.00000000 1.34440570 1 Sn Sn3 1 1.74349501 1.74349501 3.16696129 1 [/CIF]
LiNb2Sn
P4mm
99
tetragonal
4mm
6,915.415188
false
[CIF] data_ErTaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67371383 _cell_length_b 4.67371383 _cell_length_c 4.67371383 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTaV2 _chemical_formula_sum 'Er1 Ta1 V2' _cell_volume 72.18905466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 -0.00000000 -0.00000000 0.00000000 1 Ta Ta1 1 3.30481474 3.30481474 3.30481475 1 V V2 1 4.95722212 4.95722212 4.95722212 1 V V3 1 1.65240737 1.65240737 1.65240737 1 [/CIF]
ErTaV2
Fm-3m
225
cubic
m-3m
10,353.256913
false
[CIF] data_Ir4C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31102042 _cell_length_b 4.31102042 _cell_length_c 4.31102042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir4C3 _chemical_formula_sum 'Ir4 C3' _cell_volume 80.11987074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 2.15551021 0.00000000 1 C C1 1 0.00000000 0.00000000 2.15551021 1 C C2 1 2.15551021 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 Ir Ir4 1 0.00000000 2.15551021 2.15551021 1 Ir Ir5 1 2.15551021 0.00000000 2.15551021 1 Ir Ir6 1 2.15551021 2.15551021 0.00000000 1 [/CIF]
C3Ir4
Pm-3m
221
cubic
m-3m
16,682.104558
false
[CIF] data_ZrCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81817428 _cell_length_b 3.81817428 _cell_length_c 6.87022431 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuTe2 _chemical_formula_sum 'Zr1 Cu1 Te2' _cell_volume 100.15725479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 5.15959287 1 Te Te1 1 1.90908714 1.90908714 6.18354099 1 Te Te2 1 0.00000000 0.00000000 2.35410379 1 Zr Zr3 1 1.90908714 1.90908714 3.47832312 1 [/CIF]
CuTe2Zr
P4mm
99
tetragonal
4mm
6,797.023366
false
[CIF] data_LaGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23299875 _cell_length_b 3.23299875 _cell_length_c 6.86125934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaCu2 _chemical_formula_sum 'La1 Ga1 Cu2' _cell_volume 71.71581002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61649937 1.61649937 5.53670729 1 Cu Cu1 1 1.61649937 1.61649937 1.32455205 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 3.43062967 1 [/CIF]
Cu2GaLa
P4/mmm
123
tetragonal
4/mmm
7,773.998692
false
[CIF] data_TiGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76856100 _cell_length_b 4.24169170 _cell_length_c 4.97336756 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.02399739 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2Fe _chemical_formula_sum 'Ti1 Ga2 Fe1' _cell_volume 58.08164999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.34197198 2.12084585 3.80058130 1 Ga Ga1 1 1.98226097 0.00000000 4.79750923 1 Ga Ga2 1 2.31719810 2.12084585 1.36222968 1 Ti Ti3 1 0.97514635 0.00000000 2.40444171 1 [/CIF]
FeGa2Ti
Pm
6
monoclinic
m
6,951.823139
false
[CIF] data_BaY2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88004290 _cell_length_b 5.88004290 _cell_length_c 5.88004290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Cl _chemical_formula_sum 'Ba1 Y2 Cl1' _cell_volume 143.75616768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07890911 2.07890911 2.07890911 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 6.23672732 6.23672732 6.23672732 1 Y Y3 1 4.15781821 4.15781821 4.15781821 1 [/CIF]
BaClY2
F-43m
216
cubic
-43m
4,049.712953
false
[CIF] data_In2CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21137811 _cell_length_b 3.21137811 _cell_length_c 8.61356432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CoTe _chemical_formula_sum 'In2 Co1 Te1' _cell_volume 88.83125269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.29079826 1 In In1 1 1.60568906 1.60568906 8.17103720 1 In In2 1 0.00000000 0.00000000 2.04448815 1 Te Te3 1 1.60568906 1.60568906 5.02758719 1 [/CIF]
CoIn2Te
P4mm
99
tetragonal
4mm
7,779.527877
false
[CIF] data_Zr2IrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08508969 _cell_length_b 3.08508969 _cell_length_c 7.67265293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2IrCl _chemical_formula_sum 'Zr2 Ir1 Cl1' _cell_volume 73.02661029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.83632646 1 Zr Zr2 1 1.54254485 1.54254485 5.66415265 1 Zr Zr3 1 1.54254485 1.54254485 2.00850028 1 [/CIF]
ClIrZr2
P4/mmm
123
tetragonal
4/mmm
9,325.608058
false
[CIF] data_FeMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31538994 _cell_length_b 4.31538994 _cell_length_c 4.31538994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoRu2 _chemical_formula_sum 'Fe1 Mo1 Ru2' _cell_volume 56.82574480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.57716224 4.57716224 4.57716224 1 Ru Ru2 1 3.05144149 3.05144149 3.05144149 1 Ru Ru3 1 1.52572075 1.52572075 1.52572075 1 [/CIF]
FeMoRu2
F-43m
216
cubic
-43m
10,342.83848
false
[CIF] data_LiCaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20624198 _cell_length_b 5.20624198 _cell_length_c 5.20624198 _cell_angle_alpha 141.45444746 _cell_angle_beta 129.30166478 _cell_angle_gamma 65.44816283 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaGe _chemical_formula_sum 'Li1 Ca1 Ge1' _cell_volume 67.10508154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06237076 1 Ge Ge1 1 0.00000000 0.00000000 5.82931977 1 Li Li2 1 0.00000000 0.00000000 2.86816193 1 [/CIF]
CaGeLi
Imm2
44
orthorhombic
mm2
2,961.004437
false
[CIF] data_CdOs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51075295 _cell_length_b 4.51075295 _cell_length_c 4.51075295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdOs2Au _chemical_formula_sum 'Cd1 Os2 Au1' _cell_volume 64.89812177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18958400 3.18958400 3.18958400 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.59479200 1.59479200 1.59479200 1 Os Os3 1 4.78437600 4.78437600 4.78437600 1 [/CIF]
AuCdOs2
Fm-3m
225
cubic
m-3m
17,650.776351
false
[CIF] data_NaSr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85642468 _cell_length_b 3.85642468 _cell_length_c 9.42251605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Pt _chemical_formula_sum 'Na1 Sr2 Pt1' _cell_volume 140.13176504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 5.40284234 1 Pt Pt1 1 1.92821234 1.92821234 7.08099320 1 Sr Sr2 1 0.00000000 0.00000000 8.53370754 1 Sr Sr3 1 1.92821234 1.92821234 2.53874704 1 [/CIF]
NaPtSr2
P4mm
99
tetragonal
4mm
4,660.707283
false
[CIF] data_TiAg4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32544999 _cell_length_b 5.32544999 _cell_length_c 5.32544999 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAg4Pt _chemical_formula_sum 'Ti1 Ag4 Pt1' _cell_volume 106.79574113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70626763 4.70626763 2.82505597 1 Ag Ag1 1 4.70626763 2.82505597 4.70626763 1 Ag Ag2 1 2.82505597 4.70626763 4.70626763 1 Ag Ag3 1 2.82505597 2.82505597 2.82505597 1 Pt Pt4 1 5.64849270 5.64849270 5.64849270 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4PtTi
F-43m
216
cubic
-43m
10,486.439398
false
[CIF] data_CaBeWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65483077 _cell_length_b 4.65483077 _cell_length_c 4.65483077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeWAu _chemical_formula_sum 'Ca1 Be1 W1 Au1' _cell_volume 71.31759521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.93719360 4.93719360 4.93719360 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 3.29146240 3.29146240 3.29146240 1 W W3 1 1.64573120 1.64573120 1.64573120 1 [/CIF]
AuBeCaW
F-43m
216
cubic
-43m
10,009.596476
false
[CIF] data_TlReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98739373 _cell_length_b 2.98739373 _cell_length_c 7.31744550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReAu _chemical_formula_sum 'Tl1 Re1 Au1' _cell_volume 56.55552750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.72477258 0.13853241 1 Re Re1 1 0.00000000 0.00000000 2.35416615 1 Tl Tl2 1 1.49369685 0.86238629 4.82474693 1 [/CIF]
AuReTl
P3m1
156
trigonal
3m
17,251.384247
false
[CIF] data_LiCdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56827156 _cell_length_b 4.56827156 _cell_length_c 4.56827156 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdSn _chemical_formula_sum 'Li1 Cd1 Sn1' _cell_volume 67.41254768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61512790 1.61512790 1.61512790 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.84538370 4.84538370 4.84538370 1 [/CIF]
CdLiSn
F-43m
216
cubic
-43m
5,864.060399
false
[CIF] data_MnZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06976313 _cell_length_b 4.06976313 _cell_length_c 4.06976313 _cell_angle_alpha 60.82078447 _cell_angle_beta 60.82078447 _cell_angle_gamma 60.82078447 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn _chemical_formula_sum 'Mn2 Zn2' _cell_volume 48.54649209 _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 Mn Mn0 1 0.00000000 -0.00000000 1.20116737 1 Mn Mn1 1 -0.00000000 0.00000000 8.70538999 1 Zn Zn2 1 0.00000000 -0.00000000 3.70927218 1 Zn Zn3 1 -0.00000000 -0.00000000 6.19728518 1 [/CIF]
Mn6Zn6
R-3m
166
trigonal
-3m
8,230.988705
false
[CIF] data_SrZn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45415782 _cell_length_b 3.45415782 _cell_length_c 6.91758926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.83639766 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn2Cu _chemical_formula_sum 'Sr1 Zn2 Cu1' _cell_volume 82.52639010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97500001 1 Sr Sr1 1 2.42456614 0.00000000 1.80675035 1 Zn Zn2 1 0.00000000 0.00000000 6.47194509 1 Zn Zn3 1 2.42456614 0.00000000 5.04027777 1 [/CIF]
CuSrZn2
Cmm2
35
orthorhombic
mm2
5,672.720403
false
[CIF] data_K2PSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60114708 _cell_length_b 4.60114708 _cell_length_c 4.88082796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PSe _chemical_formula_sum 'K2 P1 Se1' _cell_volume 103.32983410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30057354 0.00000000 2.44041398 1 K K1 1 0.00000000 2.30057354 2.44041398 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.30057354 2.30057354 0.00000000 1 [/CIF]
K2PSe
P4/mmm
123
tetragonal
4/mmm
3,023.307048
false
[CIF] data_GaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45297222 _cell_length_b 5.45297222 _cell_length_c 9.09688029 _cell_angle_alpha 92.36598132 _cell_angle_beta 92.36598132 _cell_angle_gamma 42.69005072 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBr2 _chemical_formula_sum 'Ga2 Br4' _cell_volume 183.22395898 _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 Br Br0 1 9.59318485 -0.00000000 0.38227813 1 Br Br1 1 3.45141898 -0.00000000 6.26483265 1 Br Br2 1 6.79078049 0.00000000 2.70503384 1 Br Br3 1 5.95608258 0.00000000 6.42673540 1 Ga Ga4 1 9.87028505 0.00000000 3.52500472 1 Ga Ga5 1 2.40310080 -0.00000000 0.38665288 1 [/CIF]
Br4Ga2
Cm
8
monoclinic
m
4,160.429614
false
[CIF] data_TaNbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85883017 _cell_length_b 4.85883017 _cell_length_c 2.98441478 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbPb _chemical_formula_sum 'Ta1 Nb1 Pb1' _cell_volume 61.01733751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93097737 1 Pb Pb1 1 2.42941509 1.40262345 1.00799534 1 Ta Ta2 1 -0.00000000 2.80524691 2.02985685 1 [/CIF]
NbPbTa
P3m1
156
trigonal
3m
13,091.51503
false
[CIF] data_Pu3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60171900 _cell_length_b 4.60171900 _cell_length_c 4.60171900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu3Au _chemical_formula_sum 'Pu3 Au1' _cell_volume 97.44516290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pu Pu1 1 0.00000000 2.30085950 2.30085950 1 Pu Pu2 1 2.30085950 0.00000000 2.30085950 1 Pu Pu3 1 2.30085950 2.30085950 0.00000000 1 [/CIF]
AuPu3
Pm-3m
221
cubic
m-3m
15,830.290939
false
[CIF] data_Hf2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87781500 _cell_length_b 5.87781500 _cell_length_c 3.50325000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2S _chemical_formula_sum 'Hf4 S2' _cell_volume 121.03276541 _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 Hf Hf0 1 1.71341872 1.71341872 0.00000000 1 Hf Hf1 1 4.16439628 4.16439628 0.00000000 1 Hf Hf2 1 4.65232622 1.22548878 1.75162500 1 Hf Hf3 1 1.22548878 4.65232622 1.75162500 1 S S4 1 0.00000000 0.00000000 0.00000000 1 S S5 1 2.93890750 2.93890750 1.75162500 1 [/CIF]
Hf4S2
P4_2/mnm
136
tetragonal
4/mmm
10,675.198884
false
[CIF] data_NaBe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30858574 _cell_length_b 3.30858574 _cell_length_c 6.80390537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.53496860 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBe2Te _chemical_formula_sum 'Na1 Be2 Te1' _cell_volume 73.22509873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00044756 1 Be Be1 1 2.11486241 0.00000000 5.26881675 1 Na Na2 1 0.00000000 0.00000000 3.55379354 1 Te Te3 1 2.11486241 0.00000000 1.38280021 1 [/CIF]
Be2NaTe
Cmm2
35
orthorhombic
mm2
3,823.693793
false
[CIF] data_Ba4NaCu(CO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87900151 _cell_length_b 8.87900151 _cell_length_c 8.87900151 _cell_angle_alpha 141.12061912 _cell_angle_beta 141.12061912 _cell_angle_gamma 56.15568497 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4NaCu(CO5)2 _chemical_formula_sum 'Ba4 Na1 Cu1 C2 O10' _cell_volume 273.63863317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95506000 0.00000000 1.83228385 1 Ba Ba1 1 2.95506000 0.00000000 6.00173865 1 Ba Ba2 1 -0.00000000 2.95506000 6.00173865 1 Ba Ba3 1 0.00000000 2.95506000 1.83228385 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 0.00000000 0.00000000 7.83402250 1 C C6 1 -0.00000000 0.00000000 3.65888021 1 C C7 1 -0.00000000 0.00000000 12.00916479 1 O O8 1 2.15105319 2.15105319 3.55086471 1 O O9 1 0.80400681 -0.80400681 4.28315779 1 O O10 1 -0.00000000 0.00000000 13.32363543 1 O O11 1 0.00000000 -0.00000000 2.34440957 1 O O12 1 -0.80400681 0.80400681 4.28315779 1 O O13 1 0.80400681 0.80400681 11.38488721 1 O O14 1 1.31996620 1.31996620 7.79035566 1 O O15 1 1.31996620 -1.31996620 7.87768934 1 O O16 1 -1.31996620 1.31996620 7.87768934 1 O O17 1 1.63509380 1.63509380 -0.04366684 1 [/CIF]
C4Ba8Cu2Na2O20
I-42m
121
tetragonal
-42m
4,975.204575
false
[CIF] data_CoP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31562091 _cell_length_b 4.23176855 _cell_length_c 4.23176855 _cell_angle_alpha 49.54160801 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2Ir _chemical_formula_sum 'Co1 P2 Ir1' _cell_volume 58.80331132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10834284 1 Ir Ir1 1 2.15781045 -0.00000000 6.50934028 1 P P2 1 0.00000000 -0.00000000 5.52378018 1 P P3 1 2.15781045 -0.00000000 4.07124553 1 [/CIF]
CoIrP2
Amm2
38
orthorhombic
mm2
8,841.528583
false
[CIF] data_AlRe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18486093 _cell_length_b 3.18486093 _cell_length_c 6.33847902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRe2Te _chemical_formula_sum 'Al1 Re2 Te1' _cell_volume 64.29334235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.59243047 1.59243047 1.49447752 1 Re Re2 1 1.59243047 1.59243047 4.84400150 1 Te Te3 1 0.00000000 0.00000000 3.16923951 1 [/CIF]
AlRe2Te
P4/mmm
123
tetragonal
4/mmm
13,610.999953
false
[CIF] data_ZrZn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46243323 _cell_length_b 4.46243323 _cell_length_c 4.46243323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn2Fe _chemical_formula_sum 'Zr1 Zn2 Fe1' _cell_volume 62.83479406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 1.57770840 1.57770840 1.57770840 1 Zn Zn2 1 4.73312520 4.73312520 4.73312520 1 Zr Zr3 1 3.15541680 3.15541680 3.15541680 1 [/CIF]
FeZn2Zr
Fm-3m
225
cubic
m-3m
7,342.20451
false
[CIF] data_MgTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88967114 _cell_length_b 2.88967114 _cell_length_c 9.30763346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi _chemical_formula_sum 'Mg2 Ti2' _cell_volume 77.72059438 _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 1.44483557 0.00000000 5.90960692 1 Mg Mg1 1 0.00000000 1.44483557 3.39802654 1 Ti Ti2 1 1.44483557 0.00000000 0.96720171 1 Ti Ti3 1 0.00000000 1.44483557 8.34043175 1 [/CIF]
Mg2Ti2
P4/nmm
129
tetragonal
4/mmm
3,083.981189
false
[CIF] data_Ti2MnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42221028 _cell_length_b 4.42221028 _cell_length_c 4.42221028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MnAu _chemical_formula_sum 'Ti2 Mn1 Au1' _cell_volume 61.15094502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12697488 3.12697488 3.12697488 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.56348744 1.56348744 1.56348744 1 Ti Ti3 1 4.69046232 4.69046232 4.69046232 1 [/CIF]
AuMnTi2
Fm-3m
225
cubic
m-3m
9,440.042168
false
[CIF] data_BiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25751955 _cell_length_b 3.25751955 _cell_length_c 3.25751955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiC _chemical_formula_sum 'Bi1 C1' _cell_volume 34.56695247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62875978 1.62875978 1.62875978 1 C C1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CBi
Pm-3m
221
cubic
m-3m
10,616.045927
false
[CIF] data_Al2CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16431553 _cell_length_b 9.16431553 _cell_length_c 9.16431553 _cell_angle_alpha 18.62711698 _cell_angle_beta 18.62711698 _cell_angle_gamma 18.62711698 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdTc _chemical_formula_sum 'Al2 Cd1 Tc1' _cell_volume 68.60084758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.04344789 1 Al Al1 1 0.00000000 -0.00000000 19.96518167 1 Cd Cd2 1 -0.00000000 0.00000000 13.50431478 1 Tc Tc3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
Al2CdTc
R-3m
166
trigonal
-3m
6,421.323934
false
[CIF] data_HfCoMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48211832 _cell_length_b 4.48211832 _cell_length_c 4.48211832 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoMoW _chemical_formula_sum 'Hf1 Co1 Mo1 W1' _cell_volume 63.67001524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.75400439 4.75400439 4.75400439 1 Mo Mo2 1 1.58466813 1.58466813 1.58466813 1 W W3 1 3.16933626 3.16933626 3.16933626 1 [/CIF]
CoHfMoW
F-43m
216
cubic
-43m
13,489.384575
false
[CIF] data_K2HfP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67784973 _cell_length_b 3.66618276 _cell_length_c 10.48883907 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.56766708 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HfP _chemical_formula_sum 'K2 Hf1 P1' _cell_volume 140.49991106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53022004 1.83309138 3.81497823 1 K K1 1 0.16503908 0.00000000 0.66304580 1 K K2 1 0.32396006 1.83309138 7.18776466 1 P P3 1 0.69803945 0.00000000 3.96421980 1 [/CIF]
HfK2P
Pm
6
monoclinic
m
3,399.797661
false
[CIF] data_Na2ReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71550887 _cell_length_b 2.71550887 _cell_length_c 10.04735587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ReAu _chemical_formula_sum 'Na2 Re1 Au1' _cell_volume 74.08908587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 5.02367794 1 Na Na1 1 1.35775444 1.35775444 7.50487066 1 Na Na2 1 1.35775444 1.35775444 2.54248521 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Re
P4/mmm
123
tetragonal
4/mmm
9,618.494982
false
[CIF] data_NaZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82789832 _cell_length_b 4.82789832 _cell_length_c 4.82789832 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnSn _chemical_formula_sum 'Na1 Zn1 Sn1' _cell_volume 79.57183006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 5.12075946 5.12075946 5.12075946 1 Zn Zn2 1 1.70691982 1.70691982 1.70691982 1 [/CIF]
NaSnZn
F-43m
216
cubic
-43m
4,321.429412
false
[CIF] data_ZrSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48818507 _cell_length_b 5.48818507 _cell_length_c 5.48818507 _cell_angle_alpha 135.79123300 _cell_angle_beta 126.36553597 _cell_angle_gamma 71.95652493 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc _chemical_formula_sum 'Zr2 Sc2' _cell_volume 90.83835128 _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 Sc Sc0 1 -0.00000000 1.23798629 5.68316562 1 Sc Sc1 1 2.06517741 1.23798629 -1.24190708 1 Zr Zr2 1 0.00000000 1.23798629 1.10169886 1 Zr Zr3 1 2.06517741 1.23798629 3.33955968 1 [/CIF]
Sc2Zr2
Imma
74
orthorhombic
mmm
4,978.779574
false
[CIF] data_TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76586090 _cell_length_b 4.76586090 _cell_length_c 4.76586090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRe _chemical_formula_sum 'Tl2 Re2' _cell_volume 76.54363622 _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 Re Re0 1 1.68498628 1.68498628 1.68498628 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.05495884 5.05495884 5.05495884 1 Tl Tl3 1 3.36997256 3.36997256 3.36997256 1 [/CIF]
Re2Tl2
Fd-3m
227
cubic
m-3m
16,946.946454
false
[CIF] data_NaSb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26479136 _cell_length_b 3.26479136 _cell_length_c 9.22286280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.18881395 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb2W _chemical_formula_sum 'Na1 Sb2 W1' _cell_volume 92.84344427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.89149194 0.00000000 2.60817718 1 Sb Sb2 1 1.89149194 0.00000000 6.61468562 1 W W3 1 0.00000000 0.00000000 4.61143140 1 [/CIF]
NaSb2W
Cmmm
65
orthorhombic
mmm
8,054.670865
false
[CIF] data_LiYVRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54000215 _cell_length_b 4.54000215 _cell_length_c 4.54000215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYVRe _chemical_formula_sum 'Li1 Y1 V1 Re1' _cell_volume 66.16878788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 4.81539947 4.81539947 4.81539947 1 V V2 1 3.21026631 3.21026631 3.21026631 1 Y Y3 1 1.60513316 1.60513316 1.60513316 1 [/CIF]
LiReVY
F-43m
216
cubic
-43m
8,356.686066
false
[CIF] data_AlZnCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89125592 _cell_length_b 4.89125592 _cell_length_c 4.89125592 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnCdHg _chemical_formula_sum 'Al1 Zn1 Cd1 Hg1' _cell_volume 82.74583864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45864023 3.45864023 3.45864023 1 Hg Hg2 1 5.18796034 5.18796035 5.18796035 1 Zn Zn3 1 1.72932011 1.72932012 1.72932011 1 [/CIF]
AlCdHgZn
F-43m
216
cubic
-43m
8,134.793755
false
[CIF] data_InBiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67065300 _cell_length_b 4.67065300 _cell_length_c 4.67065300 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBiRu2 _chemical_formula_sum 'In1 Bi1 Ru2' _cell_volume 72.04731671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30265041 3.30265041 3.30265041 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.65132520 1.65132520 1.65132520 1 Ru Ru3 1 4.95397561 4.95397561 4.95397561 1 [/CIF]
BiInRu2
Fm-3m
225
cubic
m-3m
12,121.861216
false