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_Sr2ZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47516553 _cell_length_b 5.47516553 _cell_length_c 3.89006166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZnGe _chemical_formula_sum 'Sr2 Zn1 Ge1' _cell_volume 116.61408060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73758277 2.73758277 0.00000000 1 Sr Sr1 1 2.73758277 0.00000000 1.94503083 1 Sr Sr2 1 0.00000000 2.73758277 1.94503083 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeSr2Zn
P4/mmm
123
tetragonal
4/mmm
4,460.700332
false
[CIF] data_Ti2AuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87515932 _cell_length_b 4.87515932 _cell_length_c 4.87515932 _cell_angle_alpha 136.89013495 _cell_angle_beta 115.99959221 _cell_angle_gamma 80.30465060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AuCl _chemical_formula_sum 'Ti2 Au1 Cl1' _cell_volume 68.96871314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72624435 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 -0.00000000 2.58345555 2.18880167 1 Ti Ti3 1 1.79109989 -0.00000000 1.53744268 1 [/CIF]
AuClTi2
Immm
71
orthorhombic
mmm
7,900.855278
false
[CIF] data_SrTiCdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25621081 _cell_length_b 5.25621081 _cell_length_c 5.25621081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiCdIn _chemical_formula_sum 'Sr1 Ti1 Cd1 In1' _cell_volume 102.68413013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71670231 3.71670231 3.71670231 1 In In1 1 1.85835115 1.85835115 1.85835115 1 Sr Sr2 1 5.57505347 5.57505347 5.57505346 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdInSrTi
F-43m
216
cubic
-43m
5,865.60053
false
[CIF] data_RbGa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51767403 _cell_length_b 5.51767403 _cell_length_c 5.51767403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbGa2Bi _chemical_formula_sum 'Rb1 Ga2 Bi1' _cell_volume 118.78268032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90158472 3.90158472 3.90158472 1 Ga Ga1 1 5.85237708 5.85237708 5.85237708 1 Ga Ga2 1 1.95079236 1.95079236 1.95079236 1 Rb Rb3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BiGa2Rb
Fm-3m
225
cubic
m-3m
6,065.684559
false
[CIF] data_Na _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76540624 _cell_length_b 3.76540624 _cell_length_c 6.13485885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na _chemical_formula_sum Na2 _cell_volume 75.32842424 _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 1.88270312 1.08697915 4.60114414 1 Na Na1 1 0.00000000 2.17395831 1.53371471 1 [/CIF]
Na2
P6_3/mmc
194
hexagonal
6/mmm
1,013.57251
false
[CIF] data_Co2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39800804 _cell_length_b 8.39800804 _cell_length_c 8.39800804 _cell_angle_alpha 21.65465345 _cell_angle_beta 21.65465345 _cell_angle_gamma 21.65465345 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2HgSe _chemical_formula_sum 'Co2 Hg1 Se1' _cell_volume 70.67664691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 24.56033980 1 Co Co1 1 -0.00000000 -0.00000000 6.56792019 1 Hg Hg2 1 0.00000000 0.00000000 12.60879149 1 Se Se3 1 -0.00000000 -0.00000000 17.74843218 1 [/CIF]
Co2HgSe
R3m
160
trigonal
3m
9,337.248877
false
[CIF] data_Sr2NdGd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16493168 _cell_length_b 6.16493168 _cell_length_c 6.16493168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NdGd _chemical_formula_sum 'Sr2 Nd1 Gd1' _cell_volume 165.67989380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 4.35926500 4.35926500 4.35926500 1 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.17963250 2.17963250 2.17963250 1 Sr Sr3 1 6.53889750 6.53889750 6.53889750 1 [/CIF]
GdNdSr2
Fm-3m
225
cubic
m-3m
4,778.081952
false
[CIF] data_AgBi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32129776 _cell_length_b 3.32129776 _cell_length_c 8.46766869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2Ir _chemical_formula_sum 'Ag1 Bi2 Ir1' _cell_volume 93.40701260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.03181889 1 Bi Bi1 1 1.66064888 1.66064888 8.09373644 1 Bi Bi2 1 0.00000000 0.00000000 2.73991082 1 Ir Ir3 1 1.66064888 1.66064888 4.30370557 1 [/CIF]
AgBi2Ir
P4mm
99
tetragonal
4mm
12,765.031248
false
[CIF] data_K2MgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65559876 _cell_length_b 5.32310499 _cell_length_c 5.91861916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgRh _chemical_formula_sum 'K2 Mg1 Rh1' _cell_volume 115.17121517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.82779938 2.66155250 4.36762145 1 K K1 1 1.82779938 2.66155250 1.55099771 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 2.95930958 1 [/CIF]
K2MgRh
Pmmm
47
orthorhombic
mmm
2,961.560435
false
[CIF] data_Hg2PPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00905127 _cell_length_b 3.00905127 _cell_length_c 8.63691581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.49559259 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PPt _chemical_formula_sum 'Hg2 P1 Pt1' _cell_volume 77.13049930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94430851 0.00000000 6.38805545 1 Hg Hg1 1 1.94430851 0.00000000 2.24886036 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 4.31845790 1 [/CIF]
Hg2PPt
Cmmm
65
orthorhombic
mmm
13,503.773699
false
[CIF] data_CaTlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92379837 _cell_length_b 4.92379837 _cell_length_c 4.92379837 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlPd _chemical_formula_sum 'Ca1 Tl1 Pd1' _cell_volume 84.40842255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.74082561 1.74082561 1.74082561 1 Tl Tl2 1 5.22247683 5.22247683 5.22247683 1 [/CIF]
CaPdTl
F-43m
216
cubic
-43m
6,902.772126
false
[CIF] data_Mg3(InN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51398202 _cell_length_b 6.51398202 _cell_length_c 5.63649882 _cell_angle_alpha 91.85477643 _cell_angle_beta 91.85477643 _cell_angle_gamma 85.97780794 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3(InN2)2 _chemical_formula_sum 'Mg6 In4 N8' _cell_volume 238.34495969 _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 1.10406993 -0.90392582 0.57272862 1 Mg Mg1 1 8.30100027 -0.90392582 2.24276061 1 Mg Mg2 1 8.17630022 0.90392582 5.05824985 1 Mg Mg3 1 0.97936988 0.90392582 3.38821786 1 Mg Mg4 1 4.57783505 1.84774327 4.22323385 1 Mg Mg5 1 4.70253510 -1.84774327 1.40774462 1 In In6 1 2.95877447 -1.07573602 3.64335766 1 In In7 1 6.19689563 -1.07573602 4.80311004 1 In In8 1 6.32159568 1.07573602 1.98762081 1 In In9 1 3.08347452 1.07573602 0.82786843 1 N N10 1 5.58700455 3.10640646 2.74406844 1 N N11 1 3.81806565 3.10640646 0.07142080 1 N N12 1 3.69336560 -3.10640646 2.88691003 1 N N13 1 5.46230450 -3.10640646 5.55955767 1 N N14 1 3.22105784 -1.00249959 0.18863710 1 N N15 1 6.18401236 -1.00249959 2.62685213 1 N N16 1 6.05931231 1.00249959 5.44234137 1 N N17 1 3.09635779 1.00249959 3.00412634 1 [/CIF]
In4Mg6N8
C2/c
15
monoclinic
2/m
4,996.392171
false
[CIF] data_Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75458356 _cell_length_b 2.75458356 _cell_length_c 2.75458356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt _chemical_formula_sum Pt1 _cell_volume 14.77926567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt4
Fm-3m
225
cubic
m-3m
21,918.856493
false
[CIF] data_P2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74474345 _cell_length_b 5.74474345 _cell_length_c 6.10391479 _cell_angle_alpha 119.19325630 _cell_angle_beta 119.19325630 _cell_angle_gamma 30.17033805 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2Ru _chemical_formula_sum 'P4 Ru2' _cell_volume 87.37168456 _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 P P0 1 -1.17492564 -0.00000000 4.41615249 1 P P1 1 2.51834625 -0.00000000 3.81005948 1 P P2 1 5.49172990 0.00000000 1.45775847 1 P P3 1 9.18500179 -0.00000000 0.85166546 1 Ru Ru4 1 6.16740249 -0.00000000 3.71866163 1 Ru Ru5 1 1.84267365 -0.00000000 1.54915632 1 [/CIF]
P4Ru2
C2/m
12
monoclinic
2/m
6,196.446103
false
[CIF] data_NaCrTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79327002 _cell_length_b 5.79327002 _cell_length_c 5.79327002 _cell_angle_alpha 139.47388288 _cell_angle_beta 109.46033754 _cell_angle_gamma 84.64858392 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrTe2 _chemical_formula_sum 'Na1 Cr1 Te2' _cell_volume 114.99203456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28322921 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 -0.00000000 3.34519523 1.78798923 1 Te Te3 1 2.00638828 -0.00000000 2.49523998 1 [/CIF]
CrNaTe2
Immm
71
orthorhombic
mmm
4,768.039258
false
[CIF] data_ScCrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81892601 _cell_length_b 3.94433089 _cell_length_c 5.53048160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrIr2 _chemical_formula_sum 'Sc1 Cr1 Ir2' _cell_volume 61.49219127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40946301 1.97216545 4.41040643 1 Ir Ir1 1 0.00000000 0.00000000 5.32124612 1 Ir Ir2 1 1.40946301 1.97216545 1.44348473 1 Sc Sc3 1 0.00000000 0.00000000 2.65106672 1 [/CIF]
CrIr2Sc
Pmm2
25
orthorhombic
mm2
12,999.378662
false
[CIF] data_VIn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63148949 _cell_length_b 3.63148949 _cell_length_c 6.45218981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VIn2Se _chemical_formula_sum 'V1 In2 Se1' _cell_volume 85.08964625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81574475 1.81574475 1.54498414 1 In In1 1 1.81574475 1.81574475 4.90720567 1 Se Se2 1 0.00000000 0.00000000 3.22609491 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2SeV
P4/mmm
123
tetragonal
4/mmm
7,016.444191
false
[CIF] data_NpSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94188444 _cell_length_b 4.94188444 _cell_length_c 4.94188444 _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 85.34198884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74722000 1.74722000 1.74722000 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpSb
F-43m
216
cubic
-43m
6,980.561428
false
[CIF] data_ThCd2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16198947 _cell_length_b 5.16198947 _cell_length_c 5.16198947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCd2In _chemical_formula_sum 'Th1 Cd2 In1' _cell_volume 97.26046580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82503888 1.82503888 1.82503888 1 Cd Cd1 1 5.47511664 5.47511664 5.47511664 1 In In2 1 -0.00000000 0.00000000 0.00000000 1 Th Th3 1 3.65007776 3.65007776 3.65007776 1 [/CIF]
Cd2InTh
Fm-3m
225
cubic
m-3m
9,760.324962
false
[CIF] data_Co4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61422224 _cell_length_b 4.61422224 _cell_length_c 4.61422224 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4Mo _chemical_formula_sum 'Co4 Mo1' _cell_volume 75.62643570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33201123 -1.33201122 1.33201122 1 Co Co1 1 1.33201123 1.33201122 1.33201122 1 Co Co2 1 1.33201122 1.33201122 -1.33201122 1 Co Co3 1 -1.33201122 1.33201122 1.33201122 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co4Mo
Im-3m
229
cubic
m-3m
7,283.019677
false
[CIF] data_VGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44189083 _cell_length_b 4.44189083 _cell_length_c 4.44189083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGe2W _chemical_formula_sum 'V1 Ge2 W1' _cell_volume 61.97102007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.14089113 3.14089113 3.14089113 1 Ge Ge1 1 4.71133670 4.71133670 4.71133670 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.57044557 1.57044557 1.57044556 1 [/CIF]
Ge2VW
F-43m
216
cubic
-43m
10,183.904795
false
[CIF] data_CrIrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82589483 _cell_length_b 4.82589483 _cell_length_c 4.82589483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrIrCl3 _chemical_formula_sum 'Cr1 Ir1 Cl3' _cell_volume 112.39152382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41294742 2.41294742 2.41294742 1 Cl Cl2 1 2.41294742 0.00000000 2.41294742 1 Cl Cl3 1 2.41294742 2.41294742 0.00000000 1 Cl Cl4 1 0.00000000 2.41294742 2.41294742 1 [/CIF]
Cl3CrIr
Pm-3m
221
cubic
m-3m
5,179.560237
false
[CIF] data_Nb2ZnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48546660 _cell_length_b 3.48546660 _cell_length_c 4.93894971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ZnB _chemical_formula_sum 'Nb2 Zn1 B1' _cell_volume 60.00071903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.74273330 1.74273330 0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 2.46947486 1 Zn Zn3 1 1.74273330 1.74273330 2.46947486 1 [/CIF]
BNb2Zn
P4/mmm
123
tetragonal
4/mmm
7,251.038517
false
[CIF] data_InTc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81706000 _cell_length_b 2.81706000 _cell_length_c 7.97359342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTc2Ru _chemical_formula_sum 'In1 Tc2 Ru1' _cell_volume 63.27705839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 3.98679671 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.40853000 1.40853000 1.81109625 1 Tc Tc3 1 1.40853000 1.40853000 6.16249717 1 [/CIF]
InRuTc2
P4/mmm
123
tetragonal
4/mmm
10,856.603709
false
[CIF] data_LaTaOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76403747 _cell_length_b 4.76403747 _cell_length_c 4.76403747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaOsRh _chemical_formula_sum 'La1 Ta1 Os1 Rh1' _cell_volume 76.45581246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.05302480 5.05302480 5.05302480 1 Os Os1 1 3.36868320 3.36868320 3.36868320 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.68434160 1.68434160 1.68434160 1 [/CIF]
LaOsRhTa
F-43m
216
cubic
-43m
13,313.466956
false
[CIF] data_HfAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68655647 _cell_length_b 5.68655647 _cell_length_c 5.68655647 _cell_angle_alpha 147.94993667 _cell_angle_beta 147.94993667 _cell_angle_gamma 45.95927509 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlPt _chemical_formula_sum 'Hf1 Al1 Pt1' _cell_volume 51.60574680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.16664040 1 Hf Hf1 1 0.00000000 -0.00000000 3.46083930 1 Pt Pt2 1 0.00000000 0.00000000 6.84310461 1 [/CIF]
AlHfPt
I4mm
107
tetragonal
4mm
12,888.83819
false
[CIF] data_KBa2Sr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78928848 _cell_length_b 7.78928848 _cell_length_c 7.83633128 _cell_angle_alpha 98.96847273 _cell_angle_beta 98.96847273 _cell_angle_gamma 33.09764335 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa2Sr _chemical_formula_sum 'K1 Ba2 Sr1' _cell_volume 256.17358500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.63935192 -0.00000000 7.70627058 1 Ba Ba1 1 10.89709621 0.00000000 1.90434447 1 K K2 1 6.84293792 0.00000000 3.87895189 1 Sr Sr3 1 2.76778684 0.00000000 5.84045935 1 [/CIF]
Ba2KSr
Cm
8
monoclinic
m
2,601.729544
false
[CIF] data_Mg2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58540646 _cell_length_b 4.58540646 _cell_length_c 4.58540646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2PdAu _chemical_formula_sum 'Mg2 Pd1 Au1' _cell_volume 68.17395925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62118600 1.62118600 1.62118600 1 Mg Mg1 1 4.86355800 4.86355800 4.86355800 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Au Au3 1 3.24237200 3.24237200 3.24237200 1 [/CIF]
AuMg2Pd
Fm-3m
225
cubic
m-3m
8,573.714371
false
[CIF] data_CaRh2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09099499 _cell_length_b 3.09099499 _cell_length_c 7.38036733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRh2Cl _chemical_formula_sum 'Ca1 Rh2 Cl1' _cell_volume 70.51387477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69018367 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.54549749 1.54549749 1.60559456 1 Rh Rh3 1 1.54549749 1.54549749 5.77477277 1 [/CIF]
CaClRh2
P4/mmm
123
tetragonal
4/mmm
6,625.353997
false
[CIF] data_TaW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88636963 _cell_length_b 4.88636963 _cell_length_c 4.88636963 _cell_angle_alpha 129.61439728 _cell_angle_beta 129.61439728 _cell_angle_gamma 74.02397086 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaW2Au _chemical_formula_sum 'Ta1 W2 Au1' _cell_volume 67.52058613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.07995949 1.95090654 1 Ta Ta1 1 -0.00000000 0.00000000 0.00000000 1 W W2 1 2.07995949 0.00000000 1.95090654 1 W W3 1 -0.00000000 0.00000000 3.90181307 1 [/CIF]
AuTaW2
I-4m2
119
tetragonal
-42m
18,336.46272
false
[CIF] data_PC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73976725 _cell_length_b 4.58678779 _cell_length_c 2.83565509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PC2 _chemical_formula_sum 'P2 C4' _cell_volume 48.64146278 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.56066456 2.72117648 0.00000000 1 C C1 1 3.17910269 1.86561131 0.00000000 1 C C2 1 2.43054818 4.15900520 1.41782754 1 C C3 1 1.30921907 0.42778259 1.41782754 1 P P4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 1.86988363 2.29339389 1.41782754 1 [/CIF]
C4P2
Pnnm
58
orthorhombic
mmm
3,754.887693
false
[CIF] data_Sr2ZrMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27941980 _cell_length_b 4.27941980 _cell_length_c 8.93894924 _cell_angle_alpha 102.93020784 _cell_angle_beta 102.93020784 _cell_angle_gamma 59.42060235 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrMn _chemical_formula_sum 'Sr2 Zr1 Mn1' _cell_volume 136.17833945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11808379 0.00000000 5.39839690 1 Sr Sr1 1 5.05302866 -0.00000000 7.79749501 1 Sr Sr2 1 5.05697769 0.00000000 3.00131342 1 Zr Zr3 1 2.59880776 -0.00000000 5.39579218 1 [/CIF]
MnSr2Zr
Cm
8
monoclinic
m
3,919.130267
false
[CIF] data_Al2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52709350 _cell_length_b 4.52709350 _cell_length_c 2.81720056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Zn _chemical_formula_sum 'Al2 Zn1' _cell_volume 50.00199437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61371865 0.73309511 1 Al Al1 1 2.26354675 1.30685933 2.08410545 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2Zn
P-3m1
164
trigonal
-3m
3,963.318756
false
[CIF] data_Ti2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36992220 _cell_length_b 4.36992220 _cell_length_c 4.36992220 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2OsRu _chemical_formula_sum 'Ti2 Os1 Ru1' _cell_volume 59.00735081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09000162 3.09000162 3.09000162 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.54500081 1.54500081 1.54500081 1 Ti Ti3 1 4.63500243 4.63500243 4.63500243 1 [/CIF]
OsRuTi2
Fm-3m
225
cubic
m-3m
10,891.610423
false
[CIF] data_TiPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94913906 _cell_length_b 2.94913906 _cell_length_c 7.44988235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPd2Cl _chemical_formula_sum 'Ti1 Pd2 Cl1' _cell_volume 64.79476465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25114843 1 Pd Pd1 1 1.47456953 1.47456953 0.11547243 1 Pd Pd2 1 0.00000000 0.00000000 2.01889949 1 Ti Ti3 1 1.47456953 1.47456953 3.78930324 1 [/CIF]
ClPd2Ti
P4mm
99
tetragonal
4mm
7,589.940939
false
[CIF] data_PC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88141984 _cell_length_b 2.88141984 _cell_length_c 3.46267083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PC2 _chemical_formula_sum 'P1 C2' _cell_volume 24.89745318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44070992 0.83179426 2.45182577 1 C C1 1 0.00000000 1.66358852 1.01084506 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2P
P-3m1
164
trigonal
-3m
3,667.909898
false
[CIF] data_NbFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92181669 _cell_length_b 4.92181669 _cell_length_c 4.91147805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 136.79547125 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSi _chemical_formula_sum 'Nb2 Fe2 Si2' _cell_volume 81.45222778 _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 -0.00000000 0.00000000 1 Fe Fe1 1 -0.00000000 -0.00000000 2.45573902 1 Nb Nb2 1 1.81202242 1.92995728 3.68360854 1 Nb Nb3 1 1.81202242 -1.92995728 1.22786951 1 Si Si4 1 1.81202242 0.76704045 1.22786951 1 Si Si5 1 1.81202242 -0.76704045 3.68360854 1 [/CIF]
Fe4Nb4Si4
Cmcm
63
orthorhombic
mmm
7,210.227532
false
[CIF] data_LiLaYGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25511244 _cell_length_b 5.25511244 _cell_length_c 5.25511244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaYGa _chemical_formula_sum 'Li1 La1 Y1 Ga1' _cell_volume 102.61977065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71592564 3.71592564 3.71592564 1 La La1 1 1.85796282 1.85796282 1.85796282 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.57388846 5.57388846 5.57388846 1 [/CIF]
GaLaLiY
F-43m
216
cubic
-43m
4,926.859225
false
[CIF] data_Y2TaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13127142 _cell_length_b 4.76465349 _cell_length_c 6.32699782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TaTi _chemical_formula_sum 'Y2 Ta1 Ti1' _cell_volume 94.39515869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 3.16349891 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.56563571 2.38232675 1.59241253 1 Y Y3 1 1.56563571 2.38232675 4.73458529 1 [/CIF]
TaTiY2
Pmmm
47
orthorhombic
mmm
7,153.113899
false
[CIF] data_MgTaTlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04441126 _cell_length_b 5.04441126 _cell_length_c 5.04441126 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaTlIn _chemical_formula_sum 'Mg1 Ta1 Tl1 In1' _cell_volume 90.76459243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78346871 1.78346871 1.78346871 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.35040612 5.35040612 5.35040612 1 Tl Tl3 1 3.56693741 3.56693741 3.56693741 1 [/CIF]
InMgTaTl
F-43m
216
cubic
-43m
9,594.894123
false
[CIF] data_Na4Cr2As(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00666880 _cell_length_b 9.96208547 _cell_length_c 9.82297667 _cell_angle_alpha 60.75998032 _cell_angle_beta 60.30716225 _cell_angle_gamma 58.93285743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Cr2As(CO4)4 _chemical_formula_sum 'Na8 Cr4 As2 C8 O32' _cell_volume 692.03847833 _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 3.45688800 6.46919074 3.58618350 1 Na Na1 1 6.40832366 3.48893150 3.58618350 1 Na Na2 1 2.95143566 6.97786300 7.17236700 1 Na Na3 1 6.91377600 2.98025924 7.17236700 1 Na Na4 1 3.45688800 0.50867226 3.58618350 1 Na Na5 1 0.50545234 3.48893150 3.58618350 1 Na Na6 1 10.87611634 6.97786300 7.17236700 1 Na Na7 1 6.91377600 10.97546676 7.17236700 1 Cr Cr8 1 8.64222000 8.72232875 8.96545875 1 Cr Cr9 1 5.18533200 5.23339725 8.96545875 1 Cr Cr10 1 5.18533200 8.72232875 5.37927525 1 Cr Cr11 1 8.64222000 5.23339725 5.37927525 1 As As12 1 0.00000000 0.00000000 0.00000000 1 As As13 1 3.45688800 3.48893150 3.58618350 1 C C14 1 5.68475552 5.76228438 5.96778948 1 C C15 1 9.14164352 9.25121588 11.96312802 1 C C16 1 8.14279648 5.76228438 8.37694452 1 C C17 1 5.68475552 8.19344162 8.37694452 1 C C18 1 11.59968448 9.25121588 9.55397298 1 C C19 1 9.14164352 11.68237312 9.55397298 1 C C20 1 8.14279648 8.19344162 5.96778948 1 C C21 1 11.59968448 11.68237312 11.96312802 1 O O22 1 5.45169905 6.72462240 5.13484816 1 O O23 1 1.02021061 5.94575333 6.24358851 1 O O24 1 4.91401469 5.58226249 6.98808737 1 O O25 1 8.37090269 9.07119399 10.94283013 1 O O26 1 8.91353731 5.58226249 7.35664663 1 O O27 1 10.11561480 8.41332804 12.19650250 1 O O28 1 5.89356539 5.94575333 0.92877849 1 O O29 1 5.89356539 1.03210967 6.24358851 1 O O30 1 10.11561480 12.52026096 9.32059850 1 O O31 1 4.91401469 8.37346351 7.35664663 1 O O32 1 8.90858705 10.21355390 12.79606934 1 O O33 1 1.02021061 1.03210967 0.92877849 1 O O34 1 8.37585295 6.72462240 9.20988584 1 O O35 1 5.45169905 7.23110360 9.20988584 1 O O36 1 6.65872680 4.92439654 5.73441500 1 O O37 1 10.62571320 8.41332804 9.32059850 1 O O38 1 6.65872680 9.03132946 8.61031900 1 O O39 1 10.62571320 12.52026096 12.19650250 1 O O40 1 11.83274095 10.21355390 8.72103166 1 O O41 1 8.90858705 10.72003510 8.72103166 1 O O42 1 2.43667739 2.45682183 2.65740501 1 O O43 1 8.37585295 7.23110360 5.13484816 1 O O44 1 12.37042531 9.07119399 10.57427087 1 O O45 1 7.16882520 4.92439654 8.61031900 1 O O46 1 4.47709861 2.45682183 4.51496199 1 O O47 1 4.47709861 4.52104117 2.65740501 1 O O48 1 7.16882520 9.03132946 5.73441500 1 O O49 1 8.37090269 11.86239501 10.57427087 1 O O50 1 8.91353731 8.37346351 6.98808737 1 O O51 1 12.37042531 11.86239501 10.94283013 1 O O52 1 2.43667739 4.52104117 4.51496199 1 O O53 1 11.83274095 10.72003510 12.79606934 1 [/CIF]
C8As2Cr4Na8O32
Fddd
70
orthorhombic
mmm
2,758.962198
true
[CIF] data_TaIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44908037 _cell_length_b 4.44908037 _cell_length_c 4.44908037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Rh _chemical_formula_sum 'Ta1 Ir2 Rh1' _cell_volume 62.27242175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57298745 1.57298745 1.57298745 1 Ir Ir1 1 4.71896235 4.71896235 4.71896235 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.14597490 3.14597490 3.14597490 1 [/CIF]
Ir2RhTa
Fm-3m
225
cubic
m-3m
17,820.365277
false
[CIF] data_MgCoReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29400819 _cell_length_b 4.29400819 _cell_length_c 4.29400819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoReTc _chemical_formula_sum 'Mg1 Co1 Re1 Tc1' _cell_volume 55.98524816 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51816116 1.51816115 1.51816115 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.03632231 3.03632231 3.03632231 1 Tc Tc3 1 4.55448346 4.55448347 4.55448347 1 [/CIF]
CoMgReTc
F-43m
216
cubic
-43m
10,925.411634
false
[CIF] data_Be5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32001031 _cell_length_b 5.32001031 _cell_length_c 3.32806405 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.40260048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be5Pd _chemical_formula_sum 'Be5 Pd1' _cell_volume 56.15651820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67032848 1.77562294 0.00000000 1 Be Be1 1 1.67032848 3.28265981 1.66403202 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Be Be3 1 1.67032848 -3.28265981 1.66403202 1 Be Be4 1 1.67032848 -1.77562294 0.00000000 1 Pd Pd5 1 1.67032848 0.00000000 1.66403202 1 [/CIF]
Be5Pd
Cmmm
65
orthorhombic
mmm
4,479.265755
false
[CIF] data_Ta2ZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76627512 _cell_length_b 2.76627512 _cell_length_c 8.62709017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnTc _chemical_formula_sum 'Ta2 Zn1 Tc1' _cell_volume 66.01689265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 1.38313756 1.38313756 8.51819585 1 Ta Ta1 1 0.00000000 0.00000000 2.22346927 1 Tc Tc2 1 1.38313756 1.38313756 4.44886815 1 Zn Zn3 1 0.00000000 0.00000000 6.37719224 1 [/CIF]
Ta2TcZn
P4mm
99
tetragonal
4mm
13,235.183687
false
[CIF] data_Mg2SiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25035244 _cell_length_b 4.23362351 _cell_length_c 6.49300719 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.45112100 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2SiSn _chemical_formula_sum 'Mg2 Si1 Sn1' _cell_volume 86.89781772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09814801 0.00000000 0.01214399 1 Mg Mg1 1 1.41449077 2.11681176 1.87475284 1 Si Si2 1 -0.21402158 0.00000000 2.79433218 1 Sn Sn3 1 -0.06347593 2.11681176 4.79111451 1 [/CIF]
Mg2SiSn
Pm
6
monoclinic
m
3,734.023191
false
[CIF] data_ReWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37387658 _cell_length_b 4.37387658 _cell_length_c 4.37387658 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReWCl2 _chemical_formula_sum 'Re1 W1 Cl2' _cell_volume 59.16768464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54639889 1.54639889 1.54639890 1 Cl Cl1 1 4.63919668 4.63919668 4.63919669 1 Re Re2 1 3.09279779 3.09279779 3.09279779 1 W W3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cl2ReW
Fm-3m
225
cubic
m-3m
12,375.331019
false
[CIF] data_LaHg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05844393 _cell_length_b 4.05844393 _cell_length_c 6.44358997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.97238557 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHg2Se _chemical_formula_sum 'La1 Hg2 Se1' _cell_volume 105.73273946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.74256596 0.00000000 1.49402359 1 Hg Hg1 1 2.74256596 0.00000000 4.94956638 1 La La2 1 0.00000000 0.00000000 3.22179498 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2LaSe
Cmmm
65
orthorhombic
mmm
9,722.146538
false
[CIF] data_V4BiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09511772 _cell_length_b 5.09511772 _cell_length_c 5.09511772 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4BiP _chemical_formula_sum 'V4 Bi1 P1' _cell_volume 93.52929693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40418844 5.40418844 5.40418844 1 P P1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.50569443 4.50569443 2.69989015 1 V V3 1 4.50569443 2.69989015 4.50569443 1 V V4 1 2.69989015 4.50569443 4.50569443 1 V V5 1 2.69989015 2.69989015 2.69989015 1 [/CIF]
BiPV4
F-43m
216
cubic
-43m
7,877.902303
false
[CIF] data_KNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05820690 _cell_length_b 5.05820690 _cell_length_c 5.05820690 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNiSn _chemical_formula_sum 'K1 Ni1 Sn1' _cell_volume 91.51130978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 5.36503860 5.36503860 5.36503860 1 Sn Sn2 1 1.78834620 1.78834620 1.78834620 1 [/CIF]
KNiSn
F-43m
216
cubic
-43m
3,928.580322
false
[CIF] data_NaBePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27249493 _cell_length_b 5.27249493 _cell_length_c 5.27249493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBePb2 _chemical_formula_sum 'Na1 Be1 Pb2' _cell_volume 103.64145826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.59232538 5.59232538 5.59232538 1 Pb Pb2 1 3.72821692 3.72821692 3.72821692 1 Pb Pb3 1 1.86410846 1.86410846 1.86410846 1 [/CIF]
BeNaPb2
F-43m
216
cubic
-43m
7,152.233208
false
[CIF] data_Cu2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67461780 _cell_length_b 8.67461780 _cell_length_c 8.67461780 _cell_angle_alpha 18.59892610 _cell_angle_beta 18.59892610 _cell_angle_gamma 18.59892610 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2NiHg _chemical_formula_sum 'Cu2 Ni1 Hg1' _cell_volume 58.00962086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.63404736 1 Cu Cu1 1 0.00000000 0.00000000 18.93275529 1 Hg Hg2 1 -0.00000000 -0.00000000 12.78340132 1 Ni Ni3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cu2HgNi
R-3m
166
trigonal
-3m
11,060.086858
false
[CIF] data_ZnAuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92939924 _cell_length_b 4.92939924 _cell_length_c 3.29809932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAuCl2 _chemical_formula_sum 'Zn1 Au1 Cl2' _cell_volume 80.14043908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46469962 2.46469962 0.00000000 1 Cl Cl1 1 2.46469962 0.00000000 1.64904966 1 Cl Cl2 1 0.00000000 2.46469962 1.64904966 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCl2Zn
P4/mmm
123
tetragonal
4/mmm
6,905.114524
false
[CIF] data_La2NbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34986641 _cell_length_b 3.34986641 _cell_length_c 8.81348835 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbCu _chemical_formula_sum 'La2 Nb1 Cu1' _cell_volume 98.90148463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.67493321 1.67493321 2.08403472 1 La La2 1 1.67493321 1.67493321 6.72945363 1 Nb Nb3 1 0.00000000 0.00000000 4.40674418 1 [/CIF]
CuLa2Nb
P4/mmm
123
tetragonal
4/mmm
7,291.207112
false
[CIF] data_K2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87229607 _cell_length_b 7.87229607 _cell_length_c 7.87229607 _cell_angle_alpha 151.83667177 _cell_angle_beta 151.83667177 _cell_angle_gamma 40.25186403 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2C _chemical_formula_sum 'K2 C1' _cell_volume 108.46813158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 -0.00000000 0.00000000 8.96447066 1 K K2 1 0.00000000 -0.00000000 5.81873490 1 [/CIF]
CK2
I4/mmm
139
tetragonal
4/mmm
1,380.983922
false
[CIF] data_Hf2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21577484 _cell_length_b 9.21577484 _cell_length_c 9.21577484 _cell_angle_alpha 20.02939722 _cell_angle_beta 20.02939722 _cell_angle_gamma 20.02939722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BrCl _chemical_formula_sum 'Hf2 Br1 Cl1' _cell_volume 80.32526911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.54209594 1 Cl Cl1 1 0.00000000 -0.00000000 -0.00000000 1 Hf Hf2 1 -0.00000000 -0.00000000 6.82090482 1 Hf Hf3 1 -0.00000000 0.00000000 20.26328705 1 [/CIF]
BrClHf2
R-3m
166
trigonal
-3m
9,764.474476
false
[CIF] data_CdSiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13709817 _cell_length_b 5.13709817 _cell_length_c 3.77859851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiTe2 _chemical_formula_sum 'Cd1 Si1 Te2' _cell_volume 99.71637435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56854908 2.56854908 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.56854908 1.88929926 1 Te Te3 1 2.56854908 0.00000000 1.88929926 1 [/CIF]
CdSiTe2
P4/mmm
123
tetragonal
4/mmm
6,589.384151
false
[CIF] data_SrMnGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46875488 _cell_length_b 5.46875488 _cell_length_c 5.46875488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnGe3 _chemical_formula_sum 'Sr1 Mn1 Ge3' _cell_volume 163.55558311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73437744 2.73437744 2.73437744 1 Ge Ge1 1 2.73437744 0.00000000 2.73437744 1 Ge Ge2 1 2.73437744 2.73437744 0.00000000 1 Ge Ge3 1 0.00000000 2.73437744 2.73437744 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge3MnSr
Pm-3m
221
cubic
m-3m
3,659.843736
false
[CIF] data_ZrMnAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50943423 _cell_length_b 4.50943423 _cell_length_c 4.50943423 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnAlPt _chemical_formula_sum 'Zr1 Mn1 Al1 Pt1' _cell_volume 64.84121920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.18865152 3.18865152 3.18865152 1 Pt Pt2 1 4.78297728 4.78297728 4.78297728 1 Zr Zr3 1 1.59432576 1.59432576 1.59432576 1 [/CIF]
AlMnPtZr
F-43m
216
cubic
-43m
9,430.055381
false
[CIF] data_HfFe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90865994 _cell_length_b 4.90865994 _cell_length_c 4.90865994 _cell_angle_alpha 136.19544404 _cell_angle_beta 136.19544404 _cell_angle_gamma 63.67832001 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2P _chemical_formula_sum 'Hf1 Fe2 P1' _cell_volume 55.92472487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83105126 -0.00000000 2.08503267 1 Fe Fe1 1 -0.00000000 1.83105126 2.08503267 1 Hf Hf2 1 0.00000000 -0.00000000 4.17006534 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2HfP
I4/mmm
139
tetragonal
4/mmm
9,535.824618
false
[CIF] data_TaAlCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32147341 _cell_length_b 4.32147341 _cell_length_c 4.32147341 _cell_angle_alpha 124.70646416 _cell_angle_beta 124.70646416 _cell_angle_gamma 82.02479473 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlCo2 _chemical_formula_sum 'Ta1 Al1 Co2' _cell_volume 52.44760669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.00524684 -0.00000000 1.63042193 1 Co Co2 1 0.00000000 2.00524684 1.63042192 1 Ta Ta3 1 0.00000000 -0.00000000 3.26084385 1 [/CIF]
AlCo2Ta
I4/mmm
139
tetragonal
4/mmm
10,314.992467
false
[CIF] data_LiZrCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63732840 _cell_length_b 4.63732840 _cell_length_c 4.63732840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrCrAu _chemical_formula_sum 'Li1 Zr1 Cr1 Au1' _cell_volume 70.51614460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91862954 4.91862954 4.91862954 1 Cr Cr1 1 1.63954318 1.63954318 1.63954318 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.27908636 3.27908636 3.27908636 1 [/CIF]
AuCrLiZr
F-43m
216
cubic
-43m
8,174.284893
false
[CIF] data_La2SbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66160497 _cell_length_b 3.66160497 _cell_length_c 8.07361661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.34134728 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SbIr _chemical_formula_sum 'La2 Sb1 Ir1' _cell_volume 107.58351030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.03680830 1 La La1 1 2.44197543 0.00000000 5.76628751 1 La La2 1 2.44197543 0.00000000 2.30732910 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLa2Sb
Cmmm
65
orthorhombic
mmm
9,134.178563
false
[CIF] data_Nb2TlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15526533 _cell_length_b 5.15526533 _cell_length_c 5.13251491 _cell_angle_alpha 98.13740298 _cell_angle_beta 98.13740298 _cell_angle_gamma 33.98554451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TlMo _chemical_formula_sum 'Nb2 Tl1 Mo1' _cell_volume 75.40871724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.86628912 0.00000000 3.85859558 1 Nb Nb1 1 9.08455127 0.00000000 5.05709259 1 Nb Nb2 1 7.23217795 0.00000000 1.23265687 1 Tl Tl3 1 4.56880563 0.00000000 2.54161797 1 [/CIF]
MoNb2Tl
Cm
8
monoclinic
m
10,705.408601
false
[CIF] data_V2ZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69919815 _cell_length_b 4.69919815 _cell_length_c 2.59110997 _cell_angle_alpha 92.58710197 _cell_angle_beta 92.58710197 _cell_angle_gamma 113.13820581 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2ZnSi _chemical_formula_sum 'V2 Zn1 Si1' _cell_volume 52.43855754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 1.18832101 1.96086000 1.29119937 1 V V2 1 1.18832101 -1.96086000 1.29119937 1 Zn Zn3 1 2.58893326 -0.00000000 0.00000000 1 [/CIF]
SiV2Zn
C2/m
12
monoclinic
2/m
6,185.979003
false
[CIF] data_Co2PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08898718 _cell_length_b 4.08898718 _cell_length_c 4.08898718 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2PIr _chemical_formula_sum 'Co2 P1 Ir1' _cell_volume 48.34284971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.33702584 4.33702584 4.33702584 1 Co Co1 1 2.89135056 2.89135056 2.89135056 1 Ir Ir2 1 1.44567528 1.44567528 1.44567528 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2IrP
F-43m
216
cubic
-43m
11,715.046347
false
[CIF] data_YNbFeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78531605 _cell_length_b 4.78531605 _cell_length_c 4.78531605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbFeHg _chemical_formula_sum 'Y1 Nb1 Fe1 Hg1' _cell_volume 77.48486517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.38372943 3.38372943 3.38372943 1 Nb Nb2 1 1.69186471 1.69186471 1.69186472 1 Y Y3 1 5.07559415 5.07559415 5.07559415 1 [/CIF]
FeHgNbY
F-43m
216
cubic
-43m
9,391.85536
false
[CIF] data_Nb2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82351289 _cell_length_b 2.82351289 _cell_length_c 8.05760345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CuPt _chemical_formula_sum 'Nb2 Cu1 Pt1' _cell_volume 64.23702799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.94799016 1 Nb Nb1 1 1.41175645 1.41175645 7.90162815 1 Nb Nb2 1 0.00000000 0.00000000 2.15034045 1 Pt Pt3 1 1.41175645 1.41175645 4.14404995 1 [/CIF]
CuNb2Pt
P4mm
99
tetragonal
4mm
11,488.927632
false
[CIF] data_Mg2AlSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32758419 _cell_length_b 5.32758419 _cell_length_c 5.32758419 _cell_angle_alpha 131.78910975 _cell_angle_beta 131.78910975 _cell_angle_gamma 70.56230973 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlSe _chemical_formula_sum 'Mg2 Al1 Se1' _cell_volume 82.36135982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.17587707 -0.00000000 2.17452703 1 Mg Mg2 1 -0.00000000 2.17587707 2.17452703 1 Se Se3 1 0.00000000 -0.00000000 4.34905406 1 [/CIF]
AlMg2Se
I4/mmm
139
tetragonal
4/mmm
3,116.010568
false
[CIF] data_BPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39323480 _cell_length_b 6.39323480 _cell_length_c 8.51040651 _cell_angle_alpha 127.27901043 _cell_angle_beta 127.27901043 _cell_angle_gamma 34.13600900 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPb2 _chemical_formula_sum 'B2 Pb4' _cell_volume 151.01745518 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.56187919 0.00000000 5.65185977 1 B B1 1 4.26922050 -0.00000000 0.93228957 1 Pb Pb2 1 1.77479949 -0.00000000 0.80374920 1 Pb Pb3 1 7.96415608 -0.00000000 4.15503579 1 Pb Pb4 1 -1.13305639 -0.00000000 2.42911356 1 Pb Pb5 1 5.05630020 0.00000000 5.78040014 1 [/CIF]
B2Pb4
C2/m
12
monoclinic
2/m
9,350.965108
false
[CIF] data_BaIrPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97996784 _cell_length_b 4.97996784 _cell_length_c 4.97996784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIrPdAu _chemical_formula_sum 'Ba1 Ir1 Pd1 Au1' _cell_volume 87.33023257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28205355 5.28205355 5.28205354 1 Ba Ba1 1 3.52136903 3.52136903 3.52136903 1 Ir Ir2 1 1.76068451 1.76068451 1.76068452 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaIrPd
F-43m
216
cubic
-43m
12,034.846415
false
[CIF] data_MgAg4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37758422 _cell_length_b 5.37758422 _cell_length_c 5.37758422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAg4Ru _chemical_formula_sum 'Mg1 Ag4 Ru1' _cell_volume 109.96302158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85332823 2.85332823 4.75172431 1 Ag Ag1 1 2.85332823 4.75172431 2.85332823 1 Ag Ag2 1 4.75172431 2.85332823 2.85332823 1 Ag Ag3 1 4.75172431 4.75172431 4.75172431 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 1.90126313 1.90126313 1.90126313 1 [/CIF]
Ag4MgRu
F-43m
216
cubic
-43m
8,408.895216
false
[CIF] data_Pr6RuBr10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74402800 _cell_length_b 9.45893871 _cell_length_c 9.79878693 _cell_angle_alpha 109.09700458 _cell_angle_beta 96.97012267 _cell_angle_gamma 106.74776807 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6RuBr10 _chemical_formula_sum 'Pr6 Ru1 Br10' _cell_volume 630.78249358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 -0.00271136 -2.31385526 6.74186169 1 Pr Pr1 1 1.55711801 4.69437823 7.27173439 1 Pr Pr2 1 3.83196136 7.66588026 2.25092031 1 Pr Pr3 1 -2.82202326 3.07706391 8.19425893 1 Pr Pr4 1 2.27213199 0.65764677 1.72104761 1 Pr Pr5 1 6.65127326 2.27496109 0.79852307 1 Ru Ru6 1 0.00000000 0.00000000 0.00000000 1 Br Br7 1 -1.28313192 4.28397629 5.84552413 1 Br Br8 1 2.64287253 2.13694650 6.51683530 1 Br Br9 1 1.19480646 -0.92443953 4.05772309 1 Br Br10 1 5.11238192 1.06804871 3.14725787 1 Br Br11 1 2.71963847 -1.84128951 8.28533783 1 Br Br12 1 2.63444354 6.27646453 4.93505891 1 Br Br13 1 5.12443735 5.08883062 1.51503197 1 Br Br14 1 1.18637747 3.21507850 2.47594670 1 Br Br15 1 -1.29518735 0.26319438 7.47775003 1 Br Br16 1 1.10961153 7.19331451 0.70744417 1 [/CIF]
Br10Pr6Ru
P-1
2
triclinic
-1
4,595.187397
false
[CIF] data_ScPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44995602 _cell_length_b 6.44995602 _cell_length_c 6.44995602 _cell_angle_alpha 154.07327404 _cell_angle_beta 154.07327404 _cell_angle_gamma 36.99311094 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPdW _chemical_formula_sum 'Sc1 Pd1 W1' _cell_volume 51.22269057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 -0.00000000 0.00000000 12.14250438 1 Sc Sc1 1 0.00000000 0.00000000 8.14686627 1 W W2 1 -0.00000000 0.00000000 4.17770496 1 [/CIF]
PdScW
I4mm
107
tetragonal
4mm
10,867.073437
false
[CIF] data_CoSb4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07530937 _cell_length_b 6.07530937 _cell_length_c 6.07530937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSb4As _chemical_formula_sum 'Co1 Sb4 As1' _cell_volume 158.55874356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.44383868 6.44383868 6.44383868 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 5.37034665 5.37034665 3.22143825 1 Sb Sb3 1 5.37034665 3.22143825 5.37034665 1 Sb Sb4 1 3.22143825 5.37034665 5.37034665 1 Sb Sb5 1 3.22143825 3.22143825 3.22143825 1 [/CIF]
AsCoSb4
F-43m
216
cubic
-43m
6,502.448494
false
[CIF] data_Ti2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27103762 _cell_length_b 5.27103762 _cell_length_c 4.44006958 _cell_angle_alpha 112.94590034 _cell_angle_beta 112.94590034 _cell_angle_gamma 34.63129206 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2GaPd _chemical_formula_sum 'Ti2 Ga1 Pd1' _cell_volume 63.99383100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.04441490 0.00000000 1.93242695 1 Pd Pd1 1 7.09960657 0.00000000 1.08072903 1 Ti Ti2 1 -1.74311674 -0.00000000 4.02914677 1 Ti Ti3 1 1.16258091 -0.00000000 3.09012262 1 [/CIF]
GaPdTi2
Cm
8
monoclinic
m
7,054.779699
false
[CIF] data_FeOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72139356 _cell_length_b 2.72139356 _cell_length_c 6.55156061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeOsPt _chemical_formula_sum 'Fe1 Os1 Pt1' _cell_volume 42.02019865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05533828 1 Os Os1 1 0.00000000 1.57119731 2.06486505 1 Pt Pt2 1 1.36069678 0.78559865 4.43135728 1 [/CIF]
FeOsPt
P3m1
156
trigonal
3m
17,433.562385
false
[CIF] data_InAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75203843 _cell_length_b 9.75203843 _cell_length_c 9.75203843 _cell_angle_alpha 158.51897130 _cell_angle_beta 157.15902043 _cell_angle_gamma 31.55648739 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAu2 _chemical_formula_sum 'In2 Au4' _cell_volume 131.73607570 _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 Au Au0 1 1.81740337 -0.96549026 8.43023393 1 Au Au1 1 -0.00000000 2.89647078 0.95436051 1 Au Au2 1 1.81740337 -0.96549026 5.70030308 1 Au Au3 1 -0.00000000 2.89647078 3.68429136 1 In In4 1 -0.00000000 0.96549026 7.05005044 1 In In5 1 1.81740337 0.96549026 2.33454400 1 [/CIF]
Au4In2
Imma
74
orthorhombic
mmm
12,825.661238
false
[CIF] data_SiBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98683198 _cell_length_b 4.68120137 _cell_length_c 5.19548616 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2Au _chemical_formula_sum 'Si1 Bi2 Au1' _cell_volume 96.96420677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.34060069 2.59774308 1 Bi Bi1 1 1.99341599 2.34060069 0.00000000 1 Bi Bi2 1 1.99341599 0.00000000 2.59774308 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBi2Si
Pmmm
47
orthorhombic
mmm
11,011.774601
false
[CIF] data_MnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56836708 _cell_length_b 4.56836708 _cell_length_c 2.82292809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAg2 _chemical_formula_sum 'Mn1 Ag2' _cell_volume 51.02140720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28418354 1.31877398 1.94434123 1 Ag Ag1 1 -0.00000000 2.63754796 0.87858685 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Mn
P-3m1
164
trigonal
-3m
8,809.351112
false
[CIF] data_Ca2NbCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73675187 _cell_length_b 3.73675187 _cell_length_c 8.28099584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbCd _chemical_formula_sum 'Ca2 Nb1 Cd1' _cell_volume 115.63014960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.86837593 1.86837593 7.85132685 1 Ca Ca1 1 0.00000000 0.00000000 2.52075368 1 Cd Cd2 1 1.86837593 1.86837593 4.51434538 1 Nb Nb3 1 0.00000000 0.00000000 5.81606377 1 [/CIF]
Ca2CdNb
P4mm
99
tetragonal
4mm
4,099.620225
false
[CIF] data_YZnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69411372 _cell_length_b 3.58746350 _cell_length_c 7.01924742 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.15693535 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnSe2 _chemical_formula_sum 'Y1 Zn1 Se2' _cell_volume 90.58074533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 2.96815672 1.79373175 1.79353318 1 Se Se1 1 -0.87175739 1.79373175 5.04146082 1 Y Y2 1 1.04819967 0.00000000 3.41749700 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se2YZn
P2/m
10
monoclinic
2/m
5,723.401909
false
[CIF] data_YTiFeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63466453 _cell_length_b 4.63466453 _cell_length_c 4.63466453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiFeAg _chemical_formula_sum 'Y1 Ti1 Fe1 Ag1' _cell_volume 70.39469240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27720272 3.27720272 3.27720272 1 Fe Fe1 1 1.63860136 1.63860136 1.63860136 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.91580408 4.91580408 4.91580408 1 [/CIF]
AgFeTiY
F-43m
216
cubic
-43m
7,088.159745
false
[CIF] data_CaMnGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48090481 _cell_length_b 4.48090481 _cell_length_c 4.48090481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnGaRu _chemical_formula_sum 'Ca1 Mn1 Ga1 Ru1' _cell_volume 63.61831434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 4.75271727 4.75271727 4.75271727 1 Mn Mn2 1 1.58423909 1.58423909 1.58423909 1 Ru Ru3 1 3.16847818 3.16847818 3.16847818 1 [/CIF]
CaGaMnRu
F-43m
216
cubic
-43m
6,938.038332
false
[CIF] data_Sr3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26638166 _cell_length_b 4.26638166 _cell_length_c 10.89448878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Pt _chemical_formula_sum 'Sr3 Pt1' _cell_volume 171.73424108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 5.44724439 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.13319083 1.23159830 7.25638952 1 Sr Sr3 1 2.13319083 1.23159830 3.63809926 1 [/CIF]
PtSr3
P-6m2
187
hexagonal
-6m2
4,427.969038
false
[CIF] data_Zr2ZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26094935 _cell_length_b 3.26094935 _cell_length_c 6.54689162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnCo _chemical_formula_sum 'Zr2 Zn1 Co1' _cell_volume 69.61827477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 0.00000000 0.00000000 3.27344581 1 Zr Zr2 1 1.63047467 1.63047467 5.00749494 1 Zr Zr3 1 1.63047467 1.63047467 1.53939668 1 [/CIF]
CoZnZr2
P4/mmm
123
tetragonal
4/mmm
7,316.920712
false
[CIF] data_HfBeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12131075 _cell_length_b 3.10990784 _cell_length_c 5.89241461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.69448463 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeRu2 _chemical_formula_sum 'Hf1 Be1 Ru2' _cell_volume 57.19340085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.03571023 0.00000000 2.94599088 1 Ru Ru2 1 1.53543570 1.55495392 4.59955612 1 Ru Ru3 1 1.51445459 1.55495392 1.29242564 1 [/CIF]
BeHfRu2
P2/m
10
monoclinic
2/m
11,312.774824
false
[CIF] data_Co2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64718510 _cell_length_b 2.64718510 _cell_length_c 6.47915969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2C3 _chemical_formula_sum 'Co2 C3' _cell_volume 39.32040084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 1.32359255 0.76417652 3.17034672 1 C C2 1 -0.00000000 1.52835303 3.30881297 1 Co Co3 1 1.32359255 0.76417652 1.09642420 1 Co Co4 1 -0.00000000 1.52835303 5.38273549 1 [/CIF]
C3Co2
P-3m1
164
trigonal
-3m
6,499.28408
false
[CIF] data_LiCo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87501788 _cell_length_b 2.87501788 _cell_length_c 5.96563557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2Pd _chemical_formula_sum 'Li1 Co2 Pd1' _cell_volume 49.31031984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18581797 1 Co Co1 1 1.43750894 1.43750894 1.41482588 1 Li Li2 1 0.00000000 0.00000000 2.92387665 1 Pd Pd3 1 1.43750894 1.43750894 4.42393291 1 [/CIF]
Co2LiPd
P4mm
99
tetragonal
4mm
7,786.648224
false
[CIF] data_TaHg2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84606234 _cell_length_b 4.84606234 _cell_length_c 4.84606234 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHg2Ge _chemical_formula_sum 'Ta1 Hg2 Ge1' _cell_volume 80.47333336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.42668354 3.42668354 3.42668354 1 Hg Hg2 1 1.71334177 1.71334177 1.71334177 1 Ta Ta3 1 5.14002531 5.14002531 5.14002531 1 [/CIF]
GeHg2Ta
F-43m
216
cubic
-43m
13,510.906021
false
[CIF] data_Gd2MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09586783 _cell_length_b 5.09586783 _cell_length_c 5.09586783 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2MnSn _chemical_formula_sum 'Gd2 Mn1 Sn1' _cell_volume 93.57061162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 5.40498405 5.40498405 5.40498405 1 Gd Gd1 1 1.80166135 1.80166135 1.80166135 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.60332270 3.60332270 3.60332270 1 [/CIF]
Gd2MnSn
Fm-3m
225
cubic
m-3m
8,662.85776
false
[CIF] data_Zr2ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36553583 _cell_length_b 4.36553583 _cell_length_c 3.77183812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnCu _chemical_formula_sum 'Zr2 Zn1 Cu1' _cell_volume 71.88332517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 2.18276791 2.18276791 0.00000000 1 Zr Zr2 1 2.18276791 0.00000000 1.88591906 1 Zr Zr3 1 0.00000000 2.18276791 1.88591906 1 [/CIF]
CuZnZr2
P4/mmm
123
tetragonal
4/mmm
7,192.900622
false
[CIF] data_NaBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23459114 _cell_length_b 5.81136917 _cell_length_c 4.37497872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.85798390 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiSe2 _chemical_formula_sum 'Na1 Bi1 Se2' _cell_volume 107.65078465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74991467 2.90568458 1.49180140 1 Na Na1 1 3.52135111 0.00000000 3.86427599 1 Se Se2 1 3.69222390 2.90568458 3.88613858 1 Se Se3 1 1.45920992 0.00000000 1.69400455 1 [/CIF]
BiNaSe2
Pm
6
monoclinic
m
6,014.14899
false
[CIF] data_NaNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11395545 _cell_length_b 3.11395545 _cell_length_c 7.47793065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2Sn _chemical_formula_sum 'Na1 Ni2 Sn1' _cell_volume 72.51138881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.90163768 1 Ni Ni1 1 1.55697773 1.55697773 0.53635076 1 Ni Ni2 1 0.00000000 0.00000000 1.56044155 1 Sn Sn3 1 1.55697773 1.55697773 3.21846598 1 [/CIF]
NaNi2Sn
P4mm
99
tetragonal
4mm
5,933.183421
false
[CIF] data_K4YIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79335178 _cell_length_b 6.79335178 _cell_length_c 6.79335178 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4YIr _chemical_formula_sum 'K4 Y1 Ir1' _cell_volume 221.68551377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40181255 2.40181255 2.40181255 1 K K1 1 3.63060599 3.63060599 5.97664423 1 K K2 1 3.63060599 5.97664423 3.63060599 1 K K3 1 5.97664423 3.63060599 3.63060599 1 K K4 1 5.97664423 5.97664423 5.97664423 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrK4Y
F-43m
216
cubic
-43m
3,277.221325
false
[CIF] data_Ti2MoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39736414 _cell_length_b 4.39736414 _cell_length_c 4.39736414 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MoRu _chemical_formula_sum 'Ti2 Mo1 Ru1' _cell_volume 60.12599722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.10940600 3.10940600 3.10940600 1 Ti Ti2 1 4.66410900 4.66410900 4.66410900 1 Ti Ti3 1 1.55470300 1.55470300 1.55470300 1 [/CIF]
MoRuTi2
Fm-3m
225
cubic
m-3m
8,085.45524
false
[CIF] data_Al8Cu2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95350486 _cell_length_b 3.95350486 _cell_length_c 10.66484260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al8Cu2Ni _chemical_formula_sum 'Al8 Cu2 Ni1' _cell_volume 166.69363004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97675243 5.33242130 1 Al Al1 1 1.97675243 0.00000000 5.33242130 1 Al Al2 1 1.97675243 1.97675243 3.35275595 1 Al Al3 1 1.97675243 1.97675243 7.31208665 1 Al Al4 1 0.00000000 1.97675243 1.39891743 1 Al Al5 1 1.97675243 0.00000000 1.39891743 1 Al Al6 1 0.00000000 1.97675243 9.26592517 1 Al Al7 1 1.97675243 0.00000000 9.26592517 1 Cu Cu8 1 0.00000000 0.00000000 3.31481865 1 Cu Cu9 1 0.00000000 0.00000000 7.35002395 1 Ni Ni10 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al8Cu2Ni
P4/mmm
123
tetragonal
4/mmm
4,000.96336
false
[CIF] data_TiGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65830280 _cell_length_b 4.65830280 _cell_length_c 4.65830280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaPb _chemical_formula_sum 'Ti1 Ga1 Pb1' _cell_volume 71.47730154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.94087625 4.94087625 4.94087625 1 Pb Pb1 1 1.64695875 1.64695875 1.64695875 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaPbTi
F-43m
216
cubic
-43m
7,545.423118
false
[CIF] data_BAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56087746 _cell_length_b 3.56438070 _cell_length_c 5.09839348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAs2Pt _chemical_formula_sum 'B1 As2 Pt1' _cell_volume 64.71045629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78043873 1.78219035 0.00000000 1 As As1 1 0.00000000 1.78219035 2.54919674 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.78043873 0.00000000 2.54919674 1 [/CIF]
As2BPt
Pmmm
47
orthorhombic
mmm
9,128.620203
false
[CIF] data_Sn2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12673847 _cell_length_b 5.12673847 _cell_length_c 5.12673847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2SbPd _chemical_formula_sum 'Sn2 Sb1 Pd1' _cell_volume 95.28147973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.62515154 3.62515154 3.62515154 1 Sn Sn2 1 5.43772731 5.43772731 5.43772731 1 Sn Sn3 1 1.81257577 1.81257577 1.81257577 1 [/CIF]
PdSbSn2
Fm-3m
225
cubic
m-3m
8,114.347002
false