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_SiHgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90172792 _cell_length_b 3.91251612 _cell_length_c 5.97366976 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.36291740 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHgMo2 _chemical_formula_sum 'Si1 Hg1 Mo2' _cell_volume 66.91590168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.48592042 0.00000000 2.94704325 1 Mo Mo1 1 0.89438521 1.95625806 4.69682714 1 Mo Mo2 1 1.03550188 1.95625806 1.19725937 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMo2Si
P2/m
10
monoclinic
2/m
10,437.209115
false
[CIF] data_HfVInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62365654 _cell_length_b 4.62365654 _cell_length_c 4.62365654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVInRh _chemical_formula_sum 'Hf1 V1 In1 Rh1' _cell_volume 69.89429012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63470945 1.63470945 1.63470945 1 In In1 1 4.90412834 4.90412834 4.90412834 1 Rh Rh2 1 3.26941889 3.26941889 3.26941889 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInRhV
F-43m
216
cubic
-43m
10,623.447853
false
[CIF] data_LaMgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97063267 _cell_length_b 4.97063267 _cell_length_c 4.97063267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgSi2 _chemical_formula_sum 'La1 Mg1 Si2' _cell_volume 86.84003960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51476807 3.51476807 3.51476807 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Si Si2 1 5.27215211 5.27215211 5.27215210 1 Si Si3 1 1.75738404 1.75738404 1.75738403 1 [/CIF]
LaMgSi2
Fm-3m
225
cubic
m-3m
4,194.971618
false
[CIF] data_CrGeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88478495 _cell_length_b 3.88478495 _cell_length_c 3.88478495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeB2 _chemical_formula_sum 'Cr1 Ge1 B2' _cell_volume 41.45586192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.37347889 1.37347889 1.37347889 1 B B1 1 4.12043667 4.12043667 4.12043667 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 2.74695778 2.74695778 2.74695778 1 [/CIF]
B2CrGe
Fm-3m
225
cubic
m-3m
5,858.454694
false
[CIF] data_Ba4Ir3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28220985 _cell_length_b 13.20794119 _cell_length_c 5.75313944 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.55703142 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ir3O10 _chemical_formula_sum 'Ba8 Ir6 O20' _cell_volume 511.02159028 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.65915102 11.39619693 2.46435649 1 Ba Ba1 1 4.55569065 8.41571485 5.12086332 1 Ba Ba2 1 2.09961530 11.70422263 4.06182684 1 Ba Ba3 1 3.20307567 8.10768915 1.40532001 1 Ba Ba4 1 1.87221344 5.10025204 3.90769366 1 Ba Ba5 1 2.97567381 1.50371856 1.25118683 1 Ba Ba6 1 0.51959846 4.79222634 0.19215035 1 Ba Ba7 1 -0.58386191 1.81174426 2.84865718 1 Ir Ir8 1 0.00000000 0.00000000 0.00000000 1 Ir Ir9 1 -1.10346037 6.60397059 2.65650683 1 Ir Ir10 1 4.68156846 4.61883698 1.96417806 1 Ir Ir11 1 3.57810809 1.98513362 4.62068490 1 Ir Ir12 1 1.49718102 11.22280757 0.69232877 1 Ir Ir13 1 0.39372065 8.58910421 3.34883560 1 O O14 1 4.60986492 11.20736511 5.15612037 1 O O15 1 5.71332529 8.60454667 2.49961354 1 O O16 1 5.25612058 6.27977745 0.85660906 1 O O17 1 4.32347482 6.08423349 3.37412645 1 O O18 1 5.42693519 0.51973711 0.71761962 1 O O19 1 4.15266021 0.32419314 3.51311590 1 O O20 1 5.42159886 3.61916833 0.37153198 1 O O21 1 4.31813849 2.98480227 3.02803881 1 O O22 1 3.31039882 11.16320793 1.45055570 1 O O23 1 2.20693845 8.64870386 4.10706253 1 O O24 1 2.86835065 4.55923733 1.20595114 1 O O25 1 1.76489028 2.04473326 3.86245797 1 O O26 1 0.75715062 10.22313892 2.28497485 1 O O27 1 -0.34630975 9.58877286 4.94148169 1 O O28 1 0.92262889 12.88374805 1.79989777 1 O O29 1 -0.35164608 12.68820408 4.59539405 1 O O30 1 0.75181429 7.12370770 1.93888722 1 O O31 1 -0.18083148 6.92816374 4.45640460 1 O O32 1 -0.63803619 4.60339452 2.81340013 1 O O33 1 0.46542418 2.00057608 0.15689329 1 [/CIF]
Ba8Ir6O20
P2_1/c
14
monoclinic
2/m
8,357.279751
false
[CIF] data_LaBeCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96724966 _cell_length_b 4.96724966 _cell_length_c 4.96724966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeCdGa _chemical_formula_sum 'La1 Be1 Cd1 Ga1' _cell_volume 86.66285034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.26856388 5.26856388 5.26856388 1 Ga Ga2 1 1.75618796 1.75618796 1.75618796 1 La La3 1 3.51237592 3.51237592 3.51237592 1 [/CIF]
BeCdGaLa
F-43m
216
cubic
-43m
6,324.089964
false
[CIF] data_LiIn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61153106 _cell_length_b 4.61153106 _cell_length_c 3.26749444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiIn2Os _chemical_formula_sum 'Li1 In2 Os1' _cell_volume 69.48725142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.30576553 0.00000000 1.63374722 1 In In1 1 0.00000000 2.30576553 1.63374722 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.30576553 2.30576553 0.00000000 1 [/CIF]
In2LiOs
P4/mmm
123
tetragonal
4/mmm
10,199.64908
false
[CIF] data_Li2MgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79764361 _cell_length_b 4.79764361 _cell_length_c 4.79764361 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgSe _chemical_formula_sum 'Li2 Mg1 Se1' _cell_volume 78.08524057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 1.69622316 1.69622316 1.69622316 1 Li Li1 1 5.08866950 5.08866950 5.08866950 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 3.39244633 3.39244633 3.39244633 1 [/CIF]
Li2MgSe
Fm-3m
225
cubic
m-3m
2,491.215608
false
[CIF] data_TeI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37545914 _cell_length_b 8.37777091 _cell_length_c 10.09416086 _cell_angle_alpha 89.83233380 _cell_angle_beta 76.47118596 _cell_angle_gamma 75.45244811 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeI _chemical_formula_sum 'Te8 I8' _cell_volume 665.37863945 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 4.81165838 6.32772116 5.54366669 1 I I1 1 5.69125240 6.07774511 9.02451481 1 I I2 1 9.14562211 5.25145992 4.39919071 1 I I3 1 9.94671490 4.96998980 8.01979720 1 I I4 1 2.89447223 2.55691948 1.77698683 1 I I5 1 3.69556502 2.27544936 5.39759331 1 I I6 1 7.14993473 1.44916417 0.77226922 1 I I7 1 8.02952875 1.19918812 4.25311733 1 Te Te8 1 6.68668771 7.89194094 1.92596525 1 Te Te9 1 4.35955854 6.46181222 2.79157088 1 Te Te10 1 8.19645921 5.46949264 1.78083912 1 Te Te11 1 5.68072871 4.04257629 1.91283932 1 Te Te12 1 7.16045842 3.48433299 7.88394470 1 Te Te13 1 4.64472792 2.05741664 8.01594490 1 Te Te14 1 8.48162859 1.06509705 7.00521315 1 Te Te15 1 6.15449942 -0.36503166 7.87081877 1 [/CIF]
I8Te8
P-1
2
triclinic
-1
5,081.192452
false
[CIF] data_BaRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18095583 _cell_length_b 3.18095583 _cell_length_c 7.77377258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRuRh2 _chemical_formula_sum 'Ba1 Ru1 Rh2' _cell_volume 78.65876249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59047792 1.59047792 5.85678895 1 Rh Rh1 1 0.00000000 0.00000000 0.49549000 1 Rh Rh2 1 1.59047792 1.59047792 1.99968110 1 Ru Ru3 1 0.00000000 0.00000000 3.30869882 1 [/CIF]
BaRh2Ru
P4mm
99
tetragonal
4mm
9,377.549145
false
[CIF] data_BeAl3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19740692 _cell_length_b 4.19740692 _cell_length_c 4.19740692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl3Ir _chemical_formula_sum 'Be1 Al3 Ir1' _cell_volume 73.95085891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.09870346 2.09870346 2.09870346 1 Al Al2 1 0.00000000 2.09870346 0.00000000 1 Al Al3 1 0.00000000 0.00000000 2.09870346 1 Al Al4 1 2.09870346 0.00000000 0.00000000 1 [/CIF]
Al3BeIr
Pm-3m
221
cubic
m-3m
6,336.107811
false
[CIF] data_InSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17683638 _cell_length_b 6.17683638 _cell_length_c 6.17683638 _cell_angle_alpha 145.96005921 _cell_angle_beta 132.20931459 _cell_angle_gamma 59.96767107 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSnAs2 _chemical_formula_sum 'In1 Sn1 As2' _cell_volume 96.80926762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.38581573 1 As As1 1 1.80799093 -0.00000000 2.26257035 1 In In2 1 -0.00000000 0.00000000 5.13842171 1 Sn Sn3 1 0.00000000 2.50203425 2.91352896 1 [/CIF]
As2InSn
Imm2
44
orthorhombic
mm2
6,575.8462
false
[CIF] data_Zr2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49415334 _cell_length_b 4.49415334 _cell_length_c 4.33448131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2SnHg _chemical_formula_sum 'Zr2 Sn1 Hg1' _cell_volume 87.54531474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24707667 2.24707667 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.24707667 2.16724066 1 Zr Zr3 1 2.24707667 0.00000000 2.16724066 1 [/CIF]
HgSnZr2
P4/mmm
123
tetragonal
4/mmm
9,517.168982
false
[CIF] data_LiCrAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31936080 _cell_length_b 4.31936080 _cell_length_c 4.31936080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrAgMo _chemical_formula_sum 'Li1 Cr1 Ag1 Mo1' _cell_volume 56.98275583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.52712465 1.52712466 1.52712466 1 Cr Cr1 1 3.05424931 3.05424931 3.05424931 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.58137397 4.58137397 4.58137396 1 [/CIF]
AgCrLiMo
F-43m
216
cubic
-43m
7,657.264723
false
[CIF] data_Re2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00279724 _cell_length_b 3.00279724 _cell_length_c 8.18959799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2AgBr _chemical_formula_sum 'Re2 Ag1 Br1' _cell_volume 73.84389562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.50139862 1.50139862 3.85811265 1 Br Br1 1 0.00000000 0.00000000 6.41163250 1 Re Re2 1 1.50139862 1.50139862 0.27720430 1 Re Re3 1 0.00000000 0.00000000 1.73744754 1 [/CIF]
AgBrRe2
P4mm
99
tetragonal
4mm
12,596.993454
false
[CIF] data_GeAu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20368359 _cell_length_b 4.20368359 _cell_length_c 7.12925276 _cell_angle_alpha 108.65990849 _cell_angle_beta 108.65990849 _cell_angle_gamma 54.19998801 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAu2Br _chemical_formula_sum 'Ge1 Au2 Br1' _cell_volume 95.35085224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77398950 -0.00000000 6.55704117 1 Au Au1 1 5.03844319 -0.00000000 1.39474539 1 Br Br2 1 2.87933092 0.00000000 3.13951927 1 Ge Ge3 1 -0.38668395 -0.00000000 5.54088985 1 [/CIF]
Au2BrGe
Cm
8
monoclinic
m
9,516.922139
false
[CIF] data_Ta2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83883250 _cell_length_b 2.83883250 _cell_length_c 7.88809404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlCu _chemical_formula_sum 'Ta2 Al1 Cu1' _cell_volume 63.56991293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17394962 1 Cu Cu1 1 1.41941625 1.41941625 5.75836505 1 Ta Ta2 1 0.00000000 0.00000000 7.67387857 1 Ta Ta3 1 1.41941625 1.41941625 2.11404178 1 [/CIF]
AlCuTa2
P4mm
99
tetragonal
4mm
11,817.958013
false
[CIF] data_CrHgPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51308755 _cell_length_b 4.51308755 _cell_length_c 4.51308755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHgPtRh _chemical_formula_sum 'Cr1 Hg1 Pt1 Rh1' _cell_volume 64.99894049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.19123481 3.19123481 3.19123481 1 Pt Pt2 1 1.59561740 1.59561740 1.59561741 1 Rh Rh3 1 4.78685221 4.78685221 4.78685222 1 [/CIF]
CrHgPtRh
F-43m
216
cubic
-43m
14,065.649164
false
[CIF] data_BaLiCaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62189113 _cell_length_b 5.62189113 _cell_length_c 5.62189113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCaTi _chemical_formula_sum 'Ba1 Li1 Ca1 Ti1' _cell_volume 125.64126346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.97527734 3.97527734 3.97527734 1 Ca Ca1 1 1.98763867 1.98763867 1.98763867 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 5.96291601 5.96291601 5.96291601 1 [/CIF]
BaCaLiTi
F-43m
216
cubic
-43m
3,069.045532
false
[CIF] data_TiAsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90872581 _cell_length_b 4.90872581 _cell_length_c 4.90872581 _cell_angle_alpha 139.79685914 _cell_angle_beta 125.68164902 _cell_angle_gamma 69.69351965 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAsP2 _chemical_formula_sum 'Ti1 As1 P2' _cell_volume 60.91294201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02850865 1 P P1 1 1.68705756 -0.00000000 2.22023616 1 P P2 1 0.00000000 2.24065702 1.80827249 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsP2Ti
Immm
71
orthorhombic
mmm
5,036.065256
false
[CIF] data_TiTl2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36941973 _cell_length_b 5.36941973 _cell_length_c 5.36941973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Bi _chemical_formula_sum 'Ti1 Tl2 Bi1' _cell_volume 109.46292888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89837655 1.89837655 1.89837655 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.69512965 5.69512965 5.69512965 1 Tl Tl3 1 3.79675310 3.79675310 3.79675310 1 [/CIF]
BiTiTl2
F-43m
216
cubic
-43m
10,097.281898
false
[CIF] data_Mg2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38298951 _cell_length_b 4.38298951 _cell_length_c 4.38298951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Be _chemical_formula_sum 'Mg2 Be1' _cell_volume 59.53828164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.54962080 1.54962080 1.54962080 1 Mg Mg2 1 4.64886241 4.64886241 4.64886241 1 [/CIF]
Be4Mg8
Fm-3m
225
cubic
m-3m
1,607.09852
false
[CIF] data_ReO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74920000 _cell_length_b 3.74920000 _cell_length_c 3.74920000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReO3 _chemical_formula_sum 'Re1 O3' _cell_volume 52.70063220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 1.87460000 0.00000000 0.00000000 1 O O1 1 0.00000000 1.87460000 0.00000000 1 O O2 1 0.00000000 0.00000000 1.87460000 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3Re
Pm-3m
221
cubic
m-3m
7,379.548745
false
[CIF] data_NbRe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60983693 _cell_length_b 4.04163220 _cell_length_c 5.71239549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRe2Ni _chemical_formula_sum 'Nb1 Re2 Ni1' _cell_volume 60.25435319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85619774 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.30491847 2.02081610 1.26289091 1 Re Re3 1 1.30491847 2.02081610 4.44950458 1 [/CIF]
NbNiRe2
Pmmm
47
orthorhombic
mmm
14,441.203118
false
[CIF] data_CrAgBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68914510 _cell_length_b 4.68914510 _cell_length_c 4.68914510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgBiIr _chemical_formula_sum 'Cr1 Ag1 Bi1 Ir1' _cell_volume 72.90646109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97358945 4.97358945 4.97358945 1 Bi Bi1 1 1.65786315 1.65786315 1.65786315 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 3.31572630 3.31572630 3.31572630 1 [/CIF]
AgBiCrIr
F-43m
216
cubic
-43m
12,778.906804
false
[CIF] data_TePd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42493923 _cell_length_b 3.42493923 _cell_length_c 5.81750790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePd2Rh _chemical_formula_sum 'Te1 Pd2 Rh1' _cell_volume 68.24058195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07382900 1 Pd Pd1 1 1.71246962 1.71246962 1.45307281 1 Rh Rh2 1 0.00000000 0.00000000 2.96037689 1 Te Te3 1 1.71246962 1.71246962 4.23898315 1 [/CIF]
Pd2RhTe
P4mm
99
tetragonal
4mm
10,788.192329
false
[CIF] data_FeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67766596 _cell_length_b 2.67766596 _cell_length_c 6.44193178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeIr2 _chemical_formula_sum 'Fe1 Ir2' _cell_volume 39.99995931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.33883298 0.77297558 2.05560091 1 Ir Ir2 1 0.00000000 1.54595116 4.38633087 1 [/CIF]
FeIr2
P-3m1
164
trigonal
-3m
18,277.530588
false
[CIF] data_Ag2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01019262 _cell_length_b 5.01019262 _cell_length_c 5.01019262 _cell_angle_alpha 144.19450595 _cell_angle_beta 131.49007269 _cell_angle_gamma 61.73840038 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2Ge _chemical_formula_sum 'Ag2 Ge1' _cell_volume 54.52783018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 2.86424495 1 Ag Ag1 1 0.00000000 -0.00000000 5.73666093 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Ge
Immm
71
orthorhombic
mmm
8,781.942661
false
[CIF] data_CaRhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93962810 _cell_length_b 5.93962810 _cell_length_c 5.93962810 _cell_angle_alpha 146.04024528 _cell_angle_beta 146.04024528 _cell_angle_gamma 48.78698906 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRhBr _chemical_formula_sum 'Ca1 Rh1 Br1' _cell_volume 65.10283878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 10.80754511 1 Ca Ca1 1 0.00000000 -0.00000000 3.55463109 1 Rh Rh2 1 0.00000000 -0.00000000 7.27542697 1 [/CIF]
BrCaRh
I4mm
107
tetragonal
4mm
5,685.057797
false
[CIF] data_CaTiRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67922138 _cell_length_b 4.67922138 _cell_length_c 4.67922138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiRhAu _chemical_formula_sum 'Ca1 Ti1 Rh1 Au1' _cell_volume 72.44456031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30870917 3.30870917 3.30870917 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.96306376 4.96306376 4.96306376 1 Ti Ti3 1 1.65435459 1.65435459 1.65435459 1 [/CIF]
AuCaRhTi
F-43m
216
cubic
-43m
8,889.354715
false
[CIF] data_HfGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96438246 _cell_length_b 4.96438246 _cell_length_c 4.96438246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGe2Te _chemical_formula_sum 'Hf1 Ge2 Te1' _cell_volume 86.51286589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.75517425 1.75517425 1.75517425 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.26552275 5.26552275 5.26552275 1 Te Te3 1 3.51034850 3.51034850 3.51034850 1 [/CIF]
Ge2HfTe
F-43m
216
cubic
-43m
8,663.653791
false
[CIF] data_MnSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73487914 _cell_length_b 2.73487914 _cell_length_c 5.93432213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSiRh _chemical_formula_sum 'Mn1 Si1 Rh1' _cell_volume 38.43952620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.57898321 5.83780489 1 Rh Rh1 1 1.36743956 0.78949161 2.05272920 1 Si Si2 1 0.00000000 0.00000000 3.97811011 1 [/CIF]
MnRhSi
P3m1
156
trigonal
3m
8,031.90032
false
[CIF] data_AlGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49926808 _cell_length_b 4.49926808 _cell_length_c 3.28611121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.67906592 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGe2Mo _chemical_formula_sum 'Al1 Ge2 Mo1' _cell_volume 64.35085259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.37448358 1.78091219 1.64305561 1 Ge Ge2 1 1.37448358 -1.78091218 1.64305561 1 Mo Mo3 1 2.74896716 -0.00000000 0.00000000 1 [/CIF]
AlGe2Mo
Cmmm
65
orthorhombic
mmm
6,921.312235
false
[CIF] data_ZnReNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26157590 _cell_length_b 4.26157590 _cell_length_c 4.26157590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReNiIr _chemical_formula_sum 'Zn1 Re1 Ni1 Ir1' _cell_volume 54.72624956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50669461 1.50669461 1.50669461 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.01338922 3.01338922 3.01338922 1 Zn Zn3 1 4.52008383 4.52008383 4.52008383 1 [/CIF]
IrNiReZn
F-43m
216
cubic
-43m
15,247.09934
false
[CIF] data_Li2TlSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19181113 _cell_length_b 5.19181113 _cell_length_c 5.19181113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlSb _chemical_formula_sum 'Li2 Tl1 Sb1' _cell_volume 98.95589218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 5.50674729 5.50674729 5.50674729 1 Sb Sb2 1 3.67116486 3.67116486 3.67116486 1 Tl Tl3 1 1.83558243 1.83558243 1.83558243 1 [/CIF]
Li2SbTl
F-43m
216
cubic
-43m
5,705.827939
false
[CIF] data_CaCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02497879 _cell_length_b 3.02497879 _cell_length_c 7.28493855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrRh2 _chemical_formula_sum 'Ca1 Cr1 Rh2' _cell_volume 66.66080619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 3.64246928 1 Rh Rh2 1 1.51248940 1.51248940 5.10741236 1 Rh Rh3 1 1.51248940 1.51248940 2.17752619 1 [/CIF]
CaCrRh2
P4/mmm
123
tetragonal
4/mmm
7,420.753974
false
[CIF] data_TcSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34518849 _cell_length_b 3.34083879 _cell_length_c 8.15066682 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.84414000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSb2Br _chemical_formula_sum 'Tc1 Sb2 Br1' _cell_volume 90.44059086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.18419100 1.67041940 2.44939650 1 Sb Sb2 1 1.18969147 1.67041940 5.64318864 1 Tc Tc3 1 -0.48565301 0.00000000 4.04629257 1 [/CIF]
BrSb2Tc
P2/m
10
monoclinic
2/m
7,754.215109
false
[CIF] data_KBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65134841 _cell_length_b 4.65134841 _cell_length_c 4.65134841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBr _chemical_formula_sum 'K1 Br1' _cell_volume 71.15765314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.28900000 3.28900000 3.28900000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br4K4
Fm-3m
225
cubic
m-3m
2,777.044484
false
[CIF] data_YCr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76497729 _cell_length_b 2.76497729 _cell_length_c 8.50355611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Pt _chemical_formula_sum 'Y1 Cr2 Pt1' _cell_volume 65.01053184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38248865 1.38248865 2.39797655 1 Cr Cr1 1 1.38248865 1.38248865 6.10557956 1 Pt Pt2 1 0.00000000 0.00000000 4.25177805 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2PtY
P4/mmm
123
tetragonal
4/mmm
9,910.076613
false
[CIF] data_BaCd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34093885 _cell_length_b 5.34093885 _cell_length_c 5.34093885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd2W _chemical_formula_sum 'Ba1 Cd2 W1' _cell_volume 107.73028766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.88830704 1.88830704 1.88830704 1 Cd Cd2 1 5.66492112 5.66492112 5.66492112 1 W W3 1 3.77661408 3.77661408 3.77661408 1 [/CIF]
BaCd2W
Fm-3m
225
cubic
m-3m
8,415.795447
false
[CIF] data_NbCd2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89332370 _cell_length_b 2.89332370 _cell_length_c 8.01759775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd2B _chemical_formula_sum 'Nb1 Cd2 B1' _cell_volume 67.11789270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.44666185 1.44666185 1.69264509 1 Cd Cd2 1 1.44666185 1.44666185 6.32495266 1 Nb Nb3 1 0.00000000 0.00000000 4.00879888 1 [/CIF]
BCd2Nb
P4/mmm
123
tetragonal
4/mmm
8,128.271814
false
[CIF] data_LiTiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18113466 _cell_length_b 4.18113466 _cell_length_c 2.54367326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiFe _chemical_formula_sum 'Li1 Ti1 Fe1' _cell_volume 38.51059828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.09056735 1.20698960 2.53886114 1 Li Li1 1 0.00000000 0.00000000 0.84068714 1 Ti Ti2 1 0.00000002 2.41397921 1.70779824 1 [/CIF]
FeLiTi
P3m1
156
trigonal
3m
4,771.24837
false
[CIF] data_LiBe2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24355929 _cell_length_b 3.24355929 _cell_length_c 5.52416976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.90810076 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe2Tl _chemical_formula_sum 'Li1 Be2 Tl1' _cell_volume 57.69608851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.15119494 0.00000000 4.39783171 1 Be Be1 1 2.15119494 0.00000000 1.12633805 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 2.76208488 1 [/CIF]
Be2LiTl
Cmmm
65
orthorhombic
mmm
6,600.835972
false
[CIF] data_ZrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02536169 _cell_length_b 7.02536169 _cell_length_c 3.20437261 _cell_angle_alpha 101.81870926 _cell_angle_beta 101.81870926 _cell_angle_gamma 26.36552237 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCl2 _chemical_formula_sum 'Zr1 Cl2' _cell_volume 68.66402922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 8.03070277 0.00000000 1.89452949 1 Cl Cl1 1 4.97568070 -0.00000000 1.23814264 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl4Zr2
C2/m
12
monoclinic
2/m
3,920.876796
false
[CIF] data_TlRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69435741 _cell_length_b 4.69435741 _cell_length_c 4.69435741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRuSe _chemical_formula_sum 'Tl1 Ru1 Se1' _cell_volume 73.14985322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 4.97911794 4.97911794 4.97911794 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.65970598 1.65970598 1.65970598 1 [/CIF]
RuSeTl
F-43m
216
cubic
-43m
8,726.378445
false
[CIF] data_AlCoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55148764 _cell_length_b 3.38619914 _cell_length_c 7.29000170 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.46846766 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoBr2 _chemical_formula_sum 'Al1 Co1 Br2' _cell_volume 86.47549450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.33335550 0.00000000 2.49964016 1 Br Br1 1 0.18697075 1.69309957 0.63245877 1 Br Br2 1 0.46702123 0.00000000 4.70777686 1 Co Co3 1 0.54102372 1.69309957 2.94615141 1 [/CIF]
AlBr2Co
Pm
6
monoclinic
m
4,718.471991
false
[CIF] data_Fe2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24231827 _cell_length_b 4.24231827 _cell_length_c 4.24231827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2MoIr _chemical_formula_sum 'Fe2 Mo1 Ir1' _cell_volume 53.98769002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.49965803 4.49965803 4.49965803 1 Fe Fe1 1 1.49988601 1.49988601 1.49988601 1 Ir Ir2 1 2.99977202 2.99977202 2.99977202 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2IrMo
Fm-3m
225
cubic
m-3m
12,299.00325
false
[CIF] data_KBaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26400805 _cell_length_b 5.26400805 _cell_length_c 4.13599157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.19488468 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaPd2 _chemical_formula_sum 'K1 Ba1 Pd2' _cell_volume 112.42672625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.34140811 -0.00000000 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.67070405 2.03376330 2.06799578 1 Pd Pd3 1 1.67070405 -2.03376330 2.06799578 1 [/CIF]
BaKPd2
Cmmm
65
orthorhombic
mmm
5,749.435739
false
[CIF] data_LiCa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65405545 _cell_length_b 3.97589744 _cell_length_c 5.64949090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCa _chemical_formula_sum 'Li2 Ca2' _cell_volume 127.00024234 _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 Ca Ca0 1 1.41351386 1.98794872 4.28011108 1 Ca Ca1 1 4.24054159 1.98794872 1.36937982 1 Li Li2 1 1.41351386 0.00000000 1.49262917 1 Li Li3 1 4.24054159 0.00000000 4.15686173 1 [/CIF]
Ca2Li2
Pmma
51
orthorhombic
mmm
1,229.558311
false
[CIF] data_HfCoNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33361877 _cell_length_b 4.33361877 _cell_length_c 4.33361877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoNiOs _chemical_formula_sum 'Hf1 Co1 Ni1 Os1' _cell_volume 57.54891146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59649683 4.59649683 4.59649683 1 Ni Ni2 1 1.53216561 1.53216561 1.53216561 1 Os Os3 1 3.06433122 3.06433122 3.06433122 1 [/CIF]
CoHfNiOs
F-43m
216
cubic
-43m
14,033.237128
false
[CIF] data_TaIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63145902 _cell_length_b 4.63145902 _cell_length_c 4.63145902 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Pb _chemical_formula_sum 'Ta1 Ir2 Pb1' _cell_volume 70.24873034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91240412 4.91240412 4.91240412 1 Ir Ir1 1 3.27493608 3.27493608 3.27493608 1 Pb Pb2 1 1.63746804 1.63746804 1.63746804 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2PbTa
F-43m
216
cubic
-43m
18,262.285848
false
[CIF] data_Cu4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65116824 _cell_length_b 4.65116824 _cell_length_c 4.65116824 _cell_angle_alpha 99.05039390 _cell_angle_beta 99.05039390 _cell_angle_gamma 133.26658274 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Se _chemical_formula_sum 'Cu4 Se1' _cell_volume 67.25989607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.43717274 1.13528818 -0.00000000 1 Cu Cu1 1 1.13528818 3.60110021 0.00000000 1 Cu Cu2 1 0.58196374 1.88384829 1.84472108 1 Cu Cu3 1 1.88384829 -0.58196374 1.84472108 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4Se
I4/m
87
tetragonal
4/m
8,224.791579
false
[CIF] data_CaGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60101191 _cell_length_b 5.60101191 _cell_length_c 5.60101191 _cell_angle_alpha 45.93238819 _cell_angle_beta 45.93238819 _cell_angle_gamma 45.93238819 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGePt2 _chemical_formula_sum 'Ca1 Ge1 Pt2' _cell_volume 82.73098236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 -0.00000000 7.50046417 1 Pt Pt2 1 -0.00000000 0.00000000 3.06285609 1 Pt Pt3 1 -0.00000000 0.00000000 11.93807224 1 [/CIF]
CaGePt2
R-3m
166
trigonal
-3m
10,093.7016
false
[CIF] data_TmZr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87719685 _cell_length_b 4.87719685 _cell_length_c 4.87719685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmZr2Be _chemical_formula_sum 'Tm1 Zr2 Be1' _cell_volume 82.03437176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tm Tm1 1 3.44869897 3.44869897 3.44869897 1 Zr Zr2 1 5.17304845 5.17304845 5.17304845 1 Zr Zr3 1 1.72434948 1.72434948 1.72434948 1 [/CIF]
BeTmZr2
Fm-3m
225
cubic
m-3m
7,295.100266
false
[CIF] data_MnWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95314094 _cell_length_b 4.95314094 _cell_length_c 4.96242307 _cell_angle_alpha 98.78134995 _cell_angle_beta 98.78134995 _cell_angle_gamma 32.94899537 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnWAu2 _chemical_formula_sum 'Mn1 W1 Au2' _cell_volume 65.37226920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77983612 -0.00000000 3.67377387 1 Au Au1 1 6.92973635 -0.00000000 1.22536026 1 Mn Mn2 1 -0.00000000 -0.00000000 0.00000000 1 W W3 1 4.35478623 -0.00000000 2.44956706 1 [/CIF]
Au2MnW
C2/m
12
monoclinic
2/m
16,071.671522
false
[CIF] data_Te3IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29696018 _cell_length_b 5.29696018 _cell_length_c 5.29696018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te3IrAu _chemical_formula_sum 'Te3 Ir1 Au1' _cell_volume 148.62098126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 2.64848009 0.00000000 2.64848009 1 Te Te1 1 2.64848009 2.64848009 0.00000000 1 Te Te2 1 0.00000000 2.64848009 2.64848009 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 Au Au4 1 2.64848009 2.64848009 2.64848009 1 [/CIF]
AuIrTe3
Pm-3m
221
cubic
m-3m
8,625.356018
false
[CIF] data_CoRe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77763156 _cell_length_b 3.77763156 _cell_length_c 4.61208267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe2Bi _chemical_formula_sum 'Co1 Re2 Bi1' _cell_volume 65.81672668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88881578 1.88881578 0.00000000 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.88881578 2.30604134 1 Re Re3 1 1.88881578 0.00000000 2.30604134 1 [/CIF]
BiCoRe2
P4/mmm
123
tetragonal
4/mmm
16,155.30034
false
[CIF] data_KPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00217195 _cell_length_b 5.00217195 _cell_length_c 5.00217195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPd2Br _chemical_formula_sum 'K1 Pd2 Br1' _cell_volume 88.50358300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76853485 1.76853485 1.76853486 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.30560456 5.30560456 5.30560457 1 Pd Pd3 1 3.53706971 3.53706971 3.53706971 1 [/CIF]
BrKPd2
F-43m
216
cubic
-43m
6,226.155874
false
[CIF] data_MgTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67106698 _cell_length_b 3.67106698 _cell_length_c 7.83434376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTe2Pd _chemical_formula_sum 'Mg1 Te2 Pd1' _cell_volume 105.58135729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 4.09455787 1 Pd Pd1 1 1.83553349 1.83553349 5.75715604 1 Te Te2 1 0.00000000 0.00000000 6.93428366 1 Te Te3 1 1.83553349 1.83553349 2.79986182 1 [/CIF]
MgPdTe2
P4mm
99
tetragonal
4mm
6,069.665665
false
[CIF] data_Ti2InCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48880620 _cell_length_b 4.48880620 _cell_length_c 4.48880620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2InCo _chemical_formula_sum 'Ti2 In1 Co1' _cell_volume 63.95545123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.17406530 3.17406530 3.17406530 1 In In1 1 1.58703265 1.58703265 1.58703265 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 4.76109795 4.76109795 4.76109795 1 [/CIF]
CoInTi2
F-43m
216
cubic
-43m
6,996.912469
false
[CIF] data_DyCdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75461986 _cell_length_b 4.75461986 _cell_length_c 4.75461986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyCdW2 _chemical_formula_sum 'Dy1 Cd1 W2' _cell_volume 76.00329184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Dy Dy1 1 3.36202395 3.36202395 3.36202395 1 W W2 1 5.04303592 5.04303592 5.04303592 1 W W3 1 1.68101197 1.68101197 1.68101197 1 [/CIF]
CdDyW2
Fm-3m
225
cubic
m-3m
14,039.490047
false
[CIF] data_ScGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28397206 _cell_length_b 3.28397206 _cell_length_c 4.29788644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe _chemical_formula_sum 'Sc1 Ge1' _cell_volume 40.14065687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.89600216 2.14894322 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeSc
P-6m2
187
hexagonal
-6m2
4,864.708782
false
[CIF] data_NbSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78912046 _cell_length_b 5.78912046 _cell_length_c 18.42886055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSe3 _chemical_formula_sum 'Nb6 Se18' _cell_volume 534.87744921 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60721514 1 Nb Nb1 1 0.00000000 0.00000000 13.82164541 1 Nb Nb2 1 2.89456023 1.67117513 15.85098952 1 Nb Nb3 1 2.89456023 1.67117513 11.79230131 1 Nb Nb4 1 -0.00000000 3.34235025 6.63655924 1 Nb Nb5 1 0.00000000 3.34235025 2.57787103 1 Se Se6 1 -0.00000000 4.98236753 4.60721514 1 Se Se7 1 -1.42029662 2.52234162 4.60721514 1 Se Se8 1 1.42029662 2.52234162 4.60721514 1 Se Se9 1 2.89456023 0.03115786 13.82164541 1 Se Se10 1 4.31485685 2.49118376 13.82164541 1 Se Se11 1 1.47426361 2.49118376 13.82164541 1 Se Se12 1 2.89456023 3.38666317 7.40409254 1 Se Se13 1 1.40890401 0.81343111 7.40409254 1 Se Se14 1 4.38021645 0.81343111 7.40409254 1 Se Se15 1 2.89456023 3.38666317 1.81033774 1 Se Se16 1 1.40890401 0.81343111 1.81033774 1 Se Se17 1 4.38021645 0.81343111 1.81033774 1 Se Se18 1 -0.00000000 1.62686221 11.02476801 1 Se Se19 1 1.48565622 4.20009428 11.02476801 1 Se Se20 1 -1.48565622 4.20009428 11.02476801 1 Se Se21 1 -0.00000000 1.62686221 16.61852281 1 Se Se22 1 1.48565622 4.20009428 16.61852281 1 Se Se23 1 -1.48565622 4.20009428 16.61852281 1 [/CIF]
Nb6Se18
P6_3/mmc
194
hexagonal
6/mmm
6,142.975389
false
[CIF] data_Ba2TiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30212894 _cell_length_b 4.20772908 _cell_length_c 8.02996929 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.54619996 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiNi _chemical_formula_sum 'Ba2 Ti1 Ni1' _cell_volume 140.70060098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04935627 2.10386454 0.72006515 1 Ba Ba1 1 -0.24553381 0.00000000 5.05359332 1 Ni Ni2 1 2.05358141 2.10386454 3.47853537 1 Ti Ti3 1 1.87270088 0.00000000 2.40666433 1 [/CIF]
Ba2NiTi
Pm
6
monoclinic
m
4,499.06681
false
[CIF] data_LiRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94495465 _cell_length_b 4.94495465 _cell_length_c 4.57780800 _cell_angle_alpha 97.84398928 _cell_angle_beta 97.84398928 _cell_angle_gamma 31.74629780 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Pd _chemical_formula_sum 'Li1 Re2 Pd1' _cell_volume 58.30194300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.43163723 0.00000000 2.26574705 1 Re Re2 1 1.81662820 -0.00000000 3.40224985 1 Re Re3 1 7.04664625 -0.00000000 1.12924425 1 [/CIF]
LiPdRe2
C2/m
12
monoclinic
2/m
13,835.702954
false
[CIF] data_NaSb4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26920332 _cell_length_b 6.26920332 _cell_length_c 6.26920332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb4Se _chemical_formula_sum 'Na1 Sb4 Se1' _cell_volume 174.22965106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49546035 5.49546035 3.37053201 1 Sb Sb2 1 5.49546035 3.37053201 5.49546035 1 Sb Sb3 1 3.37053201 5.49546035 5.49546035 1 Sb Sb4 1 3.37053201 3.37053201 3.37053201 1 Se Se5 1 6.64949427 6.64949427 6.64949427 1 [/CIF]
NaSb4Se
F-43m
216
cubic
-43m
5,613.513634
false
[CIF] data_MgBeCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74004958 _cell_length_b 4.74004958 _cell_length_c 4.74004958 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeCdHg _chemical_formula_sum 'Mg1 Be1 Cd1 Hg1' _cell_volume 75.30670656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.35172120 3.35172120 3.35172120 1 Hg Hg2 1 1.67586060 1.67586060 1.67586060 1 Mg Mg3 1 5.02758180 5.02758180 5.02758180 1 [/CIF]
BeCdHgMg
F-43m
216
cubic
-43m
7,636.436341
false
[CIF] data_YSi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23759495 _cell_length_b 5.23759495 _cell_length_c 4.89485929 _cell_angle_alpha 105.15523351 _cell_angle_beta 105.15523351 _cell_angle_gamma 32.43267677 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2W _chemical_formula_sum 'Y1 Si2 W1' _cell_volume 69.29367599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.74951819 -0.00000000 0.01254130 1 Si Si1 1 1.73007969 0.00000000 3.35232535 1 W W2 1 4.52650777 -0.00000000 2.75812812 1 Y Y3 1 7.14088987 -0.00000000 0.94191420 1 [/CIF]
Si2WY
Cm
8
monoclinic
m
7,882.094164
false
[CIF] data_CsOs3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58541398 _cell_length_b 4.58541398 _cell_length_c 4.58541398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsOs3S _chemical_formula_sum 'Cs1 Os3 S1' _cell_volume 96.41301232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.29270699 2.29270699 2.29270699 1 S S1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.29270699 0.00000000 1 Os Os3 1 0.00000000 0.00000000 2.29270699 1 Os Os4 1 2.29270699 0.00000000 0.00000000 1 [/CIF]
CsOs3S
Pm-3m
221
cubic
m-3m
12,670.415442
false
[CIF] data_YEr2Tm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61541660 _cell_length_b 5.61541660 _cell_length_c 5.61541660 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YEr2Tm _chemical_formula_sum 'Y1 Er2 Tm1' _cell_volume 125.20767399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98534958 1.98534958 1.98534958 1 Er Er1 1 5.95604874 5.95604874 5.95604874 1 Tm Tm2 1 3.97069916 3.97069916 3.97069916 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Er2TmY
Fm-3m
225
cubic
m-3m
7,856.017676
false
[CIF] data_Mn2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74507871 _cell_length_b 8.74507871 _cell_length_c 8.74507871 _cell_angle_alpha 17.53863061 _cell_angle_beta 17.53863061 _cell_angle_gamma 17.53863061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TcMo _chemical_formula_sum 'Mn2 Tc1 Mo1' _cell_volume 53.00758967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10468294 1 Mn Mn1 1 -0.00000000 -0.00000000 19.19651463 1 Mo Mo2 1 -0.00000000 -0.00000000 12.80298666 1 Tc Tc3 1 0.00000000 0.00000000 6.63408487 1 [/CIF]
Mn2MoTc
R3m
160
trigonal
3m
9,546.490995
false
[CIF] data_CdSb2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10640160 _cell_length_b 5.10640160 _cell_length_c 3.72550622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2As _chemical_formula_sum 'Cd1 Sb2 As1' _cell_volume 97.14383130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 2.55320080 2.55320080 0.00000000 1 Sb Sb2 1 2.55320080 0.00000000 1.86275311 1 Sb Sb3 1 0.00000000 2.55320080 1.86275311 1 [/CIF]
AsCdSb2
P4/mmm
123
tetragonal
4/mmm
7,364.827644
false
[CIF] data_BeCuPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13968182 _cell_length_b 5.13968182 _cell_length_c 5.13968182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuPd4 _chemical_formula_sum 'Be1 Cu1 Pd4' _cell_volume 96.00496758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.81715194 1.81715194 1.81715194 1 Pd Pd2 1 2.72528025 2.72528025 4.54332749 1 Pd Pd3 1 2.72528025 4.54332749 2.72528025 1 Pd Pd4 1 4.54332749 2.72528025 2.72528025 1 Pd Pd5 1 4.54332749 4.54332749 4.54332749 1 [/CIF]
BeCuPd4
F-43m
216
cubic
-43m
8,617.720379
false
[CIF] data_NaZrTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10728300 _cell_length_b 4.10728300 _cell_length_c 4.75897289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTa2 _chemical_formula_sum 'Na1 Zr1 Ta2' _cell_volume 80.28279542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 2.05364150 2.37948644 1 Ta Ta2 1 2.05364150 0.00000000 2.37948644 1 Zr Zr3 1 2.05364150 2.05364150 0.00000000 1 [/CIF]
NaTa2Zr
P4/mmm
123
tetragonal
4/mmm
9,847.669967
false
[CIF] data_Zn2BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11430604 _cell_length_b 3.51994759 _cell_length_c 4.37947865 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.41968188 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2BAs _chemical_formula_sum 'Zn2 B1 As1' _cell_volume 59.81593051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32909727 0.00000000 2.06516177 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 -0.41442718 1.75997380 3.31342886 1 Zn Zn3 1 3.07262173 1.75997380 0.81689469 1 [/CIF]
AsBZn2
P2/m
10
monoclinic
2/m
6,010.011328
false
[CIF] data_Bi2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90526709 _cell_length_b 3.90526709 _cell_length_c 7.67938874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2SbCl _chemical_formula_sum 'Bi2 Sb1 Cl1' _cell_volume 117.11921043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95263354 1.95263354 5.48914091 1 Bi Bi1 1 1.95263354 1.95263354 2.19024783 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.83969437 1 [/CIF]
Bi2ClSb
P4/mmm
123
tetragonal
4/mmm
8,154.944858
false
[CIF] data_Ca2LaTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07467960 _cell_length_b 7.07467960 _cell_length_c 7.07467960 _cell_angle_alpha 147.23117586 _cell_angle_beta 131.95806328 _cell_angle_gamma 59.37294979 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaTl _chemical_formula_sum 'Ca2 La1 Tl1' _cell_volume 141.29196357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.82506872 1 Ca Ca1 1 1.99562884 -0.00000000 3.04280469 1 La La2 1 -0.00000000 -0.00000000 6.59808662 1 Tl Tl3 1 0.00000000 2.87989650 3.11850764 1 [/CIF]
Ca2LaTl
Imm2
44
orthorhombic
mm2
4,976.550438
false
[CIF] data_Li4ScNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33284900 _cell_length_b 5.33284900 _cell_length_c 5.33284900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4ScNb _chemical_formula_sum 'Li4 Sc1 Nb1' _cell_volume 107.24149563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70646239 4.70646239 2.83532499 1 Li Li1 1 4.70646239 2.83532499 4.70646239 1 Li Li2 1 2.83532499 4.70646239 4.70646239 1 Li Li3 1 2.83532499 2.83532499 2.83532499 1 Nb Nb4 1 5.65634054 5.65634054 5.65634054 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li4NbSc
F-43m
216
cubic
-43m
2,564.57565
false
[CIF] data_InFePdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41655220 _cell_length_b 4.41655220 _cell_length_c 4.41655220 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFePdRh _chemical_formula_sum 'In1 Fe1 Pd1 Rh1' _cell_volume 60.91652284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.68446102 4.68446102 4.68446102 1 Pd Pd2 1 1.56148701 1.56148701 1.56148701 1 Rh Rh3 1 3.12297401 3.12297401 3.12297401 1 [/CIF]
FeInPdRh
F-43m
216
cubic
-43m
10,358.203647
false
[CIF] data_LiTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67970075 _cell_length_b 4.67970075 _cell_length_c 4.67970075 _cell_angle_alpha 139.56463613 _cell_angle_beta 139.56463613 _cell_angle_gamma 58.51493692 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcW _chemical_formula_sum 'Li1 Tc1 W1' _cell_volume 42.71326865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.13901851 1 Tc Tc1 1 0.00000000 -0.00000000 2.71080297 1 W W2 1 0.00000000 0.00000000 5.48106703 1 [/CIF]
LiTcW
I4mm
107
tetragonal
4mm
11,262.001901
false
[CIF] data_Re2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42497156 _cell_length_b 4.42497156 _cell_length_c 5.55521490 _cell_angle_alpha 101.82559349 _cell_angle_beta 101.82559349 _cell_angle_gamma 40.76338498 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SbSe _chemical_formula_sum 'Re2 Sb1 Se1' _cell_volume 69.30398024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.09823703 0.00000000 4.28202110 1 Re Re1 1 5.98315735 -0.00000000 1.13881307 1 Sb Sb2 1 3.54069719 0.00000000 2.71041709 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2SbSe
C2/m
12
monoclinic
2/m
13,732.420477
false
[CIF] data_TaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36841097 _cell_length_b 2.88819898 _cell_length_c 8.90625160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAg2 _chemical_formula_sum 'Ta4 Ag8' _cell_volume 215.26085954 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.10250007 0.72204974 2.29098529 1 Ag Ag1 1 1.04252668 0.72204974 5.21743751 1 Ag Ag2 1 3.14167880 2.16614923 0.76431171 1 Ag Ag3 1 3.08170542 2.16614923 6.74411109 1 Ag Ag4 1 5.28670555 0.72204974 2.16214051 1 Ag Ag5 1 5.22673217 0.72204974 8.14193989 1 Ag Ag6 1 7.32588429 2.16614923 3.68881409 1 Ag Ag7 1 7.26591090 2.16614923 6.61526631 1 Ta Ta8 1 0.95846549 0.72204974 8.26322255 1 Ta Ta9 1 3.22574000 2.16614923 3.81009675 1 Ta Ta10 1 5.14267097 0.72204974 5.09615485 1 Ta Ta11 1 7.40994548 2.16614923 0.64302905 1 [/CIF]
Ag8Ta4
Pnma
62
orthorhombic
mmm
12,240.213951
false
[CIF] data_SnAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07849686 _cell_length_b 4.07849686 _cell_length_c 5.03190887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAsSe _chemical_formula_sum 'Sn1 As1 Se1' _cell_volume 72.48759042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92859825 1 Se Se1 1 -0.00000000 2.35472126 1.71050841 1 Sn Sn2 1 2.03924843 1.17736063 3.42471114 1 [/CIF]
AsSeSn
P3m1
156
trigonal
3m
6,244.503347
false
[CIF] data_NaVTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44416884 _cell_length_b 4.44416884 _cell_length_c 4.44416884 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVTcMo _chemical_formula_sum 'Na1 V1 Tc1 Mo1' _cell_volume 62.06641354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.71375288 4.71375288 4.71375288 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.14250192 3.14250192 3.14250192 1 V V3 1 1.57125096 1.57125096 1.57125096 1 [/CIF]
MoNaTcV
F-43m
216
cubic
-43m
7,191.469158
false
[CIF] data_KLiNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64573747 _cell_length_b 4.64573747 _cell_length_c 4.64573747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiNiRu _chemical_formula_sum 'K1 Li1 Ni1 Ru1' _cell_volume 70.90045062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64251624 1.64251623 1.64251623 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.28503247 3.28503247 3.28503247 1 Ru Ru3 1 4.92754871 4.92754871 4.92754871 1 [/CIF]
KLiNiRu
F-43m
216
cubic
-43m
4,820.045858
false
[CIF] data_Lu2TaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01162355 _cell_length_b 5.01162355 _cell_length_c 5.01162355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2TaNb _chemical_formula_sum 'Lu2 Ta1 Nb1' _cell_volume 89.00621384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31562950 5.31562950 5.31562950 1 Lu Lu1 1 1.77187650 1.77187650 1.77187650 1 Nb Nb2 1 -0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.54375300 3.54375300 3.54375300 1 [/CIF]
Lu2NbTa
Fm-3m
225
cubic
m-3m
11,637.660632
false
[CIF] data_YHgIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32434257 _cell_length_b 5.32434257 _cell_length_c 5.32434257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHgIr4 _chemical_formula_sum 'Y1 Hg1 Ir4' _cell_volume 106.72913126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88243937 1.88243937 1.88243937 1 Ir Ir1 1 2.82462066 2.82462066 4.70513682 1 Ir Ir2 1 2.82462066 4.70513682 2.82462066 1 Ir Ir3 1 4.70513682 2.82462066 2.82462066 1 Ir Ir4 1 4.70513682 4.70513682 4.70513682 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIr4Y
F-43m
216
cubic
-43m
16,466.493252
false
[CIF] data_NaAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22373913 _cell_length_b 5.22373913 _cell_length_c 5.22373913 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAu4 _chemical_formula_sum 'Na1 Au4' _cell_volume 109.72928500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50796360 -1.50796360 1.50796359 1 Au Au1 1 1.50796360 1.50796360 1.50796360 1 Au Au2 1 1.50796360 1.50796360 -1.50796359 1 Au Au3 1 -1.50796359 1.50796360 1.50796359 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4Na
Im-3m
229
cubic
m-3m
12,270.727369
false
[CIF] data_Y4AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15599304 _cell_length_b 6.15599304 _cell_length_c 6.15599304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4AgPd _chemical_formula_sum 'Y4 Ag1 Pd1' _cell_volume 164.96027105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.52941663 6.52941663 6.52941663 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.44451175 5.44451175 3.26137709 1 Y Y3 1 5.44451175 3.26137709 5.44451175 1 Y Y4 1 3.26137709 5.44451175 5.44451175 1 Y Y5 1 3.26137709 3.26137709 3.26137709 1 [/CIF]
AgPdY4
F-43m
216
cubic
-43m
5,736.899377
false
[CIF] data_KTh2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45053463 _cell_length_b 5.45053463 _cell_length_c 5.45053463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTh2Nb _chemical_formula_sum 'K1 Th2 Nb1' _cell_volume 114.49916320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.85411000 3.85411000 3.85411000 1 Th Th2 1 5.78116500 5.78116500 5.78116500 1 Th Th3 1 1.92705500 1.92705500 1.92705500 1 [/CIF]
KNbTh2
Fm-3m
225
cubic
m-3m
8,644.739644
false
[CIF] data_NaH4BrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47338557 _cell_length_b 10.10299875 _cell_length_c 6.60786789 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.43062816 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaH4BrO2 _chemical_formula_sum 'Na4 H16 Br4 O8' _cell_volume 396.52371952 _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 Br Br0 1 3.29698430 6.21157742 4.32347827 1 Br Br1 1 -0.76491206 1.16007804 4.77101814 1 Br Br2 1 4.61075541 8.94292071 1.29197947 1 Br Br3 1 0.54885905 3.89142133 1.73951933 1 H H4 1 -0.63800816 7.90789152 3.48697668 1 H H5 1 0.05506721 4.68526597 3.80180577 1 H H6 1 -0.17037095 9.12281177 4.32334640 1 H H7 1 3.69186449 0.19083170 4.47761707 1 H H8 1 -1.15979225 5.24233108 4.61687934 1 H H9 1 2.70244320 4.07131240 4.77115001 1 H H10 1 2.47700504 9.73676535 5.29269064 1 H H11 1 3.17008040 2.85639214 5.60751973 1 H H12 1 0.67576295 7.24660661 0.45547787 1 H H13 1 1.36883832 0.36623340 0.77030697 1 H H14 1 1.14340016 6.03168635 1.29184760 1 H H15 1 5.00563560 4.86066767 1.44611827 1 H H16 1 0.15397886 9.91216705 1.58538053 1 H H17 1 4.01621431 0.98018698 1.73965120 1 H H18 1 3.79077615 5.41773278 2.26119183 1 H H19 1 4.48385151 2.19510723 2.57602093 1 Na Na20 1 1.72335948 1.71101831 3.27864765 1 Na Na21 1 0.80871276 6.76251768 5.81584875 1 Na Na22 1 3.03713059 3.34048107 0.24714885 1 Na Na23 1 2.12248387 8.39198044 2.78434995 1 O O24 1 0.08495130 8.19453653 4.08021626 1 O O25 1 2.75226984 10.00295583 4.38099793 1 O O26 1 -0.22019760 4.95145645 4.71349848 1 O O27 1 2.44712094 3.14303715 5.01428015 1 O O28 1 1.39872241 6.95996160 1.04871745 1 O O29 1 4.06604095 5.15154230 1.34949913 1 O O30 1 1.09357351 0.10004292 1.68199968 1 O O31 1 3.76089205 1.90846222 1.98278135 1 [/CIF]
Br4H16Na4O8
P2_1/c
14
monoclinic
2/m
2,327.11704
false
[CIF] data_V2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07553814 _cell_length_b 3.07553814 _cell_length_c 7.62044187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgBi _chemical_formula_sum 'V2 Ag1 Bi1' _cell_volume 72.08126318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 3.81022093 1 V V2 1 1.53776907 1.53776907 5.84409416 1 V V3 1 1.53776907 1.53776907 1.77634771 1 [/CIF]
AgBiV2
P4/mmm
123
tetragonal
4/mmm
9,646.337336
false
[CIF] data_VWO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91306300 _cell_length_b 3.91306300 _cell_length_c 3.91306300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VWO3 _chemical_formula_sum 'V1 W1 O3' _cell_volume 59.91706343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 1.95653150 1.95653150 0.00000000 1 O O1 1 1.95653150 0.00000000 1.95653150 1 O O2 1 0.00000000 1.95653150 1.95653150 1 V V3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 1.95653150 1.95653150 1.95653150 1 [/CIF]
O3VW
Pm-3m
221
cubic
m-3m
7,836.945141
false
[CIF] data_Ga2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82821682 _cell_length_b 4.34321373 _cell_length_c 5.08477016 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.25306509 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RhW _chemical_formula_sum 'Ga2 Rh1 W1' _cell_volume 61.03619715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63336437 0.00000000 0.08398906 1 Ga Ga1 1 1.47589262 2.17160687 1.22801609 1 Rh Rh2 1 1.36419891 0.00000000 2.50570904 1 W W3 1 -0.02162465 2.17160687 3.63569257 1 [/CIF]
Ga2RhW
Pm
6
monoclinic
m
11,594.884161
false
[CIF] data_CaTa4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57320637 _cell_length_b 5.57320637 _cell_length_c 5.57320637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa4Pd _chemical_formula_sum 'Ca1 Ta4 Pd1' _cell_volume 122.40534367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97042601 1.97042601 1.97042601 1 Ta Ta2 1 2.94446604 2.94446604 4.93723800 1 Ta Ta3 1 2.94446604 4.93723800 2.94446604 1 Ta Ta4 1 4.93723800 2.94446604 2.94446604 1 Ta Ta5 1 4.93723800 4.93723800 4.93723800 1 [/CIF]
CaPdTa4
F-43m
216
cubic
-43m
11,806.263549
false
[CIF] data_Zn2CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39732869 _cell_length_b 3.39732869 _cell_length_c 6.12107927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrBi _chemical_formula_sum 'Zn2 Cr1 Bi1' _cell_volume 70.64853137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69866435 1.69866435 3.22706139 1 Cr Cr1 1 0.00000000 0.00000000 4.77695723 1 Zn Zn2 1 1.69866435 1.69866435 6.08566406 1 Zn Zn3 1 0.00000000 0.00000000 1.21301550 1 [/CIF]
BiCrZn2
P4mm
99
tetragonal
4mm
9,207.664978
false
[CIF] data_NiAg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09517081 _cell_length_b 3.09517081 _cell_length_c 7.79855797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg2Sb _chemical_formula_sum 'Ni1 Ag2 Sb1' _cell_volume 74.71082751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.54758540 1.54758540 6.24691180 1 Ag Ag1 1 1.54758540 1.54758540 1.55164617 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.89927898 1 [/CIF]
Ag2NiSb
P4/mmm
123
tetragonal
4/mmm
8,805.800479
false
[CIF] data_Fe2BiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50760040 _cell_length_b 4.50760040 _cell_length_c 4.50760040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BiW _chemical_formula_sum 'Fe2 Bi1 W1' _cell_volume 64.76214558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78103222 4.78103222 4.78103222 1 Fe Fe1 1 1.59367740 1.59367741 1.59367740 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.18735481 3.18735481 3.18735481 1 [/CIF]
BiFe2W
F-43m
216
cubic
-43m
12,935.939988
false
[CIF] data_CrRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77255713 _cell_length_b 4.77255713 _cell_length_c 4.56850795 _cell_angle_alpha 96.45580048 _cell_angle_beta 96.45580048 _cell_angle_gamma 35.67039944 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRh2Br _chemical_formula_sum 'Cr1 Rh2 Br1' _cell_volume 60.25389040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27339454 -0.00000000 2.26826455 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 6.48873340 -0.00000000 1.02705322 1 Rh Rh3 1 2.05805567 0.00000000 3.50947587 1 [/CIF]
BrCrRh2
C2/m
12
monoclinic
2/m
9,306.991982
false
[CIF] data_Hf2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61407172 _cell_length_b 5.61407172 _cell_length_c 5.61407172 _cell_angle_alpha 104.08601826 _cell_angle_beta 104.08601826 _cell_angle_gamma 120.88010963 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Hg _chemical_formula_sum 'Hf4 Hg2' _cell_volume 132.09415241 _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 2.41721484 1.03583102 2.76961185 1 Hf Hf1 1 -1.03583102 2.41721484 2.76961185 1 Hf Hf2 1 4.48887688 1.03583102 0.00000000 1 Hf Hf3 1 1.03583102 2.41721484 0.00000000 1 Hg Hg4 1 -0.00000000 0.00000000 4.15441778 1 Hg Hg5 1 0.00000000 0.00000000 1.38480592 1 [/CIF]
Hf4Hg2
I4/mcm
140
tetragonal
4/mmm
14,018.285449
false