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_InAg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62683373 _cell_length_b 5.62683373 _cell_length_c 5.62683373 _cell_angle_alpha 147.27827361 _cell_angle_beta 131.92250218 _cell_angle_gamma 59.37408450 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg2Rh _chemical_formula_sum 'In1 Ag2 Rh1' _cell_volume 71.03651659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29211535 2.48276244 1 Ag Ag1 1 1.58500094 -0.00000000 2.40551303 1 In In2 1 0.00000000 0.00000000 4.88827547 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2InRh
Immm
71
orthorhombic
mmm
10,132.494276
false
[CIF] data_Cd2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07694035 _cell_length_b 3.07694035 _cell_length_c 8.71371054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2WSe _chemical_formula_sum 'Cd2 W1 Se1' _cell_volume 82.49759407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.42039458 1 Cd Cd1 1 1.53847018 1.53847018 2.06790380 1 Se Se2 1 0.00000000 0.00000000 4.93641244 1 W W3 1 1.53847018 1.53847018 6.35956553 1 [/CIF]
Cd2SeW
P4mm
99
tetragonal
4mm
9,815.018121
false
[CIF] data_K2CoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06512226 _cell_length_b 5.06512226 _cell_length_c 5.06512226 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CoRh _chemical_formula_sum 'K2 Co1 Rh1' _cell_volume 91.88715413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58158230 3.58158230 3.58158230 1 K K1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 5.37237345 5.37237345 5.37237345 1 Rh Rh3 1 1.79079115 1.79079115 1.79079115 1 [/CIF]
CoK2Rh
F-43m
216
cubic
-43m
4,337.798776
false
[CIF] data_AlV2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30083628 _cell_length_b 4.30083628 _cell_length_c 4.30083628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2Zn _chemical_formula_sum 'Al1 V2 Zn1' _cell_volume 56.25274691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.52057525 1.52057525 1.52057525 1 V V2 1 4.56172575 4.56172575 4.56172575 1 Zn Zn3 1 3.04115050 3.04115050 3.04115050 1 [/CIF]
AlV2Zn
Fm-3m
225
cubic
m-3m
5,733.953674
false
[CIF] data_SrSc2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49562471 _cell_length_b 3.49562471 _cell_length_c 8.29308623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Be _chemical_formula_sum 'Sr1 Sc2 Be1' _cell_volume 101.33647247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77225131 1 Sc Sc1 1 1.74781235 1.74781235 7.87289388 1 Sc Sc2 1 0.00000000 0.00000000 1.54782178 1 Sr Sr3 1 1.74781235 1.74781235 4.53974860 1 [/CIF]
BeSc2Sr
P4mm
99
tetragonal
4mm
3,056.783032
false
[CIF] data_TlBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56429262 _cell_length_b 3.56429262 _cell_length_c 7.59424137 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.92383307 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiAu2 _chemical_formula_sum 'Tl1 Bi1 Au2' _cell_volume 96.35303013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45521509 0.00000000 1.93110220 1 Au Au1 1 2.45521509 0.00000000 5.66313917 1 Bi Bi2 1 0.00000000 0.00000000 3.79712069 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiTl
Cmmm
65
orthorhombic
mmm
13,912.877841
false
[CIF] data_Cr5C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36596941 _cell_length_b 6.36596941 _cell_length_c 6.36596941 _cell_angle_alpha 92.61155009 _cell_angle_beta 92.61155009 _cell_angle_gamma 155.34983198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5C4 _chemical_formula_sum 'Cr5 C4' _cell_volume 105.11941914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.83225398 0.00000000 1 C C1 1 0.00000000 1.96309078 0.00000000 1 C C2 1 1.96309078 0.00000000 0.00000000 1 C C3 1 6.83225398 0.00000000 0.00000000 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 Cr Cr5 1 -1.42306840 1.42306840 1.35886783 1 Cr Cr6 1 1.42306840 -1.42306840 1.35886783 1 Cr Cr7 1 2.97460398 2.97460398 -0.00000000 1 Cr Cr8 1 1.42306840 1.42306840 1.35886783 1 [/CIF]
C4Cr5
I4/mmm
139
tetragonal
4/mmm
4,865.749138
false
[CIF] data_Ru2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95781641 _cell_length_b 2.95781641 _cell_length_c 6.83897792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru2PtSe _chemical_formula_sum 'Ru2 Pt1 Se1' _cell_volume 59.83201509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41948896 1 Ru Ru1 1 1.47890820 1.47890820 5.28815515 1 Ru Ru2 1 1.47890820 1.47890820 1.55082277 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRu2Se
P4/mmm
123
tetragonal
4/mmm
13,215.702892
false
[CIF] data_LiSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86881544 _cell_length_b 4.86881544 _cell_length_c 4.86881544 _cell_angle_alpha 138.25063048 _cell_angle_beta 138.25063048 _cell_angle_gamma 60.51936248 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnPt _chemical_formula_sum 'Li1 Sn1 Pt1' _cell_volume 50.63038760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.36282788 1 Pt Pt1 1 0.00000000 -0.00000000 2.81995645 1 Sn Sn2 1 0.00000000 -0.00000000 5.63898031 1 [/CIF]
LiPtSn
I4mm
107
tetragonal
4mm
10,519.962861
false
[CIF] data_BeCr3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35101971 _cell_length_b 4.35101971 _cell_length_c 4.35101971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr3Si _chemical_formula_sum 'Be1 Cr3 Si1' _cell_volume 82.37077496 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17550986 0.00000000 2.17550986 1 Cr Cr1 1 2.17550986 2.17550986 0.00000000 1 Cr Cr2 1 0.00000000 2.17550986 2.17550986 1 Si Si3 1 2.17550986 2.17550986 2.17550986 1 Be Be4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BeCr3Si
Pm-3m
221
cubic
m-3m
3,892.482698
false
[CIF] data_CoTeRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79020715 _cell_length_b 4.79020715 _cell_length_c 4.79020715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTeRh3 _chemical_formula_sum 'Co1 Te1 Rh3' _cell_volume 109.91649823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 2.39510357 2.39510357 2.39510357 1 Rh Rh2 1 2.39510357 0.00000000 2.39510357 1 Rh Rh3 1 2.39510357 2.39510357 0.00000000 1 Rh Rh4 1 0.00000000 2.39510357 2.39510357 1 [/CIF]
CoRh3Te
Pm-3m
221
cubic
m-3m
7,481.874692
false
[CIF] data_Mn2ReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12357383 _cell_length_b 4.12357383 _cell_length_c 3.90066251 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReBi _chemical_formula_sum 'Mn2 Re1 Bi1' _cell_volume 66.32632364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.06178691 2.06178691 0.00000000 1 Mn Mn1 1 2.06178691 0.00000000 1.95033126 1 Mn Mn2 1 0.00000000 2.06178691 1.95033126 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMn2Re
P4/mmm
123
tetragonal
4/mmm
12,644.718301
false
[CIF] data_YRe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74319185 _cell_length_b 5.74319185 _cell_length_c 4.72355388 _cell_angle_alpha 114.02298607 _cell_angle_beta 114.02298607 _cell_angle_gamma 33.04307682 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRe2Sn _chemical_formula_sum 'Y1 Re2 Sn1' _cell_volume 76.91484619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.75776781 -0.00000000 4.18906198 1 Re Re1 1 1.37123462 0.00000000 3.23405329 1 Sn Sn2 1 4.69432734 0.00000000 2.26065274 1 Y Y3 1 7.69256433 0.00000000 1.00757813 1 [/CIF]
Re2SnY
Cm
8
monoclinic
m
12,522.44883
false
[CIF] data_TaGaOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65979671 _cell_length_b 4.65979671 _cell_length_c 4.65979671 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaOsPb _chemical_formula_sum 'Ta1 Ga1 Os1 Pb1' _cell_volume 71.54609130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.94246077 4.94246078 4.94246078 1 Pb Pb2 1 3.29497385 3.29497385 3.29497385 1 Ta Ta3 1 1.64748692 1.64748692 1.64748692 1 [/CIF]
GaOsPbTa
F-43m
216
cubic
-43m
15,042.007339
false
[CIF] data_TiGe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91669061 _cell_length_b 4.91669061 _cell_length_c 2.84232277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.85937408 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGe2P _chemical_formula_sum 'Ti1 Ge2 P1' _cell_volume 65.02117096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43002338 -1.99962366 1.42116138 1 Ge Ge1 1 1.43002338 1.99962365 1.42116138 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 2.86004677 0.00000000 0.00000000 1 [/CIF]
Ge2PTi
Cmmm
65
orthorhombic
mmm
5,723.69392
false
[CIF] data_MgTlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35787985 _cell_length_b 5.35787985 _cell_length_c 3.29970010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.71950694 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlGe2 _chemical_formula_sum 'Mg1 Tl1 Ge2' _cell_volume 89.16905791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54194373 -2.19069137 1.64985005 1 Ge Ge1 1 1.54194373 2.19069137 1.64985005 1 Mg Mg2 1 -0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.08388745 0.00000000 0.00000000 1 [/CIF]
Ge2MgTl
Cmmm
65
orthorhombic
mmm
6,964.175538
false
[CIF] data_YRe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13554434 _cell_length_b 3.13554434 _cell_length_c 7.01388851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRe2Si _chemical_formula_sum 'Y1 Re2 Si1' _cell_volume 68.95801496 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56777217 1.56777217 5.70853856 1 Re Re1 1 1.56777217 1.56777217 1.30534995 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.50694426 1 [/CIF]
Re2SiY
P4/mmm
123
tetragonal
4/mmm
11,785.094213
false
[CIF] data_ErMg17Al11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20242494 _cell_length_b 9.20242494 _cell_length_c 9.03805589 _cell_angle_alpha 108.93575205 _cell_angle_beta 108.93575205 _cell_angle_gamma 108.77129587 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErMg17Al11 _chemical_formula_sum 'Er1 Mg17 Al11' _cell_volume 601.72411876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.95868637 0.00000000 1.50000324 1 Al Al1 1 2.93468694 -1.36386827 0.02701279 1 Al Al2 1 -0.87969547 -1.39841086 2.88267598 1 Al Al3 1 4.74185566 -1.40678654 4.61332376 1 Al Al4 1 1.24460091 4.82747239 6.10294096 1 Al Al5 1 6.34464393 4.76993713 1.41817050 1 Al Al6 1 6.34464393 -4.76993713 1.41817050 1 Al Al7 1 1.24460091 -4.82747239 6.10294096 1 Al Al8 1 4.74185566 1.40678654 4.61332376 1 Al Al9 1 -0.87969547 1.39841086 2.88267598 1 Al Al10 1 2.93468694 1.36386827 0.02701279 1 Er Er11 1 2.68203313 -0.00000000 6.11778649 1 Mg Mg12 1 1.96748550 0.00000000 2.67187325 1 Mg Mg13 1 0.02230447 0.00000000 0.04071214 1 Mg Mg14 1 -0.29769592 0.00000000 5.43880542 1 Mg Mg15 1 5.06038922 -0.00000000 1.93309192 1 Mg Mg16 1 -3.21877615 0.00000000 4.81571619 1 Mg Mg17 1 0.74040953 -2.26210456 7.44421196 1 Mg Mg18 1 6.98935892 -2.37675755 2.95916220 1 Mg Mg19 1 1.61593034 -2.43964834 4.45694962 1 Mg Mg20 1 3.55604307 4.91381100 0.09234142 1 Mg Mg21 1 3.91287245 -2.95817404 2.36347188 1 Mg Mg22 1 3.99796407 4.40602786 5.16087708 1 Mg Mg23 1 3.99796407 -4.40602786 5.16087708 1 Mg Mg24 1 3.91287245 2.95817404 2.36347188 1 Mg Mg25 1 3.55604307 -4.91381100 0.09234142 1 Mg Mg26 1 1.61593034 2.43964834 4.45694962 1 Mg Mg27 1 6.98935892 2.37675755 2.95916220 1 Mg Mg28 1 0.74040953 2.26210456 7.44421196 1 [/CIF]
Al11ErMg17
Cm
8
monoclinic
m
2,420.864946
false
[CIF] data_LiAg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40895237 _cell_length_b 4.40895237 _cell_length_c 4.11347298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAg2Pb _chemical_formula_sum 'Li1 Ag2 Pb1' _cell_volume 79.96122934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20447618 0.00000000 2.05673649 1 Ag Ag1 1 0.00000000 2.20447618 2.05673649 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.20447618 2.20447618 0.00000000 1 [/CIF]
Ag2LiPb
P4/mmm
123
tetragonal
4/mmm
8,927.263655
false
[CIF] data_Co2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29784128 _cell_length_b 4.29784128 _cell_length_c 5.10886759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Ag _chemical_formula_sum 'Co4 Ag2' _cell_volume 81.72520609 _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 Ag Ag0 1 0.00000000 2.48135982 3.83165069 1 Ag Ag1 1 2.14892064 1.24067991 1.27721690 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Co Co3 1 0.00000000 0.00000000 2.55443380 1 Co Co4 1 0.00000000 2.48135982 1.27721690 1 Co Co5 1 2.14892064 1.24067991 3.83165069 1 [/CIF]
Ag2Co4
P6_3/mmc
194
hexagonal
6/mmm
9,173.206477
false
[CIF] data_ZrScMnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59751377 _cell_length_b 4.59751377 _cell_length_c 4.59751377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScMnPd _chemical_formula_sum 'Zr1 Sc1 Mn1 Pd1' _cell_volume 68.71540600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87639974 4.87639974 4.87639974 1 Pd Pd1 1 1.62546658 1.62546658 1.62546658 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.25093316 3.25093316 3.25093316 1 [/CIF]
MnPdScZr
F-43m
216
cubic
-43m
7,190.140176
false
[CIF] data_YZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47700841 _cell_length_b 4.47700841 _cell_length_c 5.19727805 _cell_angle_alpha 112.90400688 _cell_angle_beta 112.90400688 _cell_angle_gamma 53.07257887 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZn2Rh _chemical_formula_sum 'Y1 Zn2 Rh1' _cell_volume 74.98263287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 2.87892773 -0.00000000 2.86834790 1 Y Y1 1 5.43588577 0.00000000 1.22866648 1 Zn Zn2 1 5.73502608 -0.00000000 4.16618242 1 Zn Zn3 1 0.32471673 0.00000000 3.43616697 1 [/CIF]
RhYZn2
Cm
8
monoclinic
m
7,143.551886
false
[CIF] data_CoSiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37253240 _cell_length_b 3.37253240 _cell_length_c 5.42884784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiAg2 _chemical_formula_sum 'Co1 Si1 Ag2' _cell_volume 61.74757847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68626620 1.68626620 1.37273933 1 Ag Ag1 1 1.68626620 1.68626620 4.05610851 1 Co Co2 1 0.00000000 0.00000000 2.71442392 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CoSi
P4/mmm
123
tetragonal
4/mmm
8,141.803701
false
[CIF] data_HgGeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81590835 _cell_length_b 4.81590835 _cell_length_c 4.81590835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGeSe _chemical_formula_sum 'Hg1 Ge1 Se1' _cell_volume 78.98045688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70268073 1.70268073 1.70268073 1 Se Se2 1 5.10804218 5.10804218 5.10804218 1 [/CIF]
GeHgSe
F-43m
216
cubic
-43m
7,404.683095
false
[CIF] data_TiAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31381736 _cell_length_b 4.31381736 _cell_length_c 4.31381736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgRh _chemical_formula_sum 'Ti1 Ag1 Rh1' _cell_volume 56.76364359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.57549427 4.57549427 4.57549427 1 Rh Rh1 1 3.05032951 3.05032951 3.05032951 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRhTi
F-43m
216
cubic
-43m
7,566.163118
false
[CIF] data_Mn3BeIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95275843 _cell_length_b 4.95275843 _cell_length_c 4.95275843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3BeIn _chemical_formula_sum 'Mn3 Be1 In1' _cell_volume 121.49025331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 2.47637922 0.00000000 2.47637922 1 Mn Mn2 1 2.47637922 2.47637922 0.00000000 1 Mn Mn3 1 0.00000000 2.47637922 2.47637922 1 In In4 1 2.47637922 2.47637922 2.47637922 1 [/CIF]
BeInMn3
Pm-3m
221
cubic
m-3m
3,945.214959
false
[CIF] data_InSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01174594 _cell_length_b 3.01174594 _cell_length_c 6.03409200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSiB2 _chemical_formula_sum 'In1 Si1 B2' _cell_volume 54.73291700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50587297 1.50587297 0.81418160 1 B B1 1 1.50587297 1.50587297 5.21991040 1 In In2 1 0.00000000 0.00000000 3.01704600 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2InSi
P4/mmm
123
tetragonal
4/mmm
4,991.53042
false
[CIF] data_NiSnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08290679 _cell_length_b 3.08290679 _cell_length_c 7.43233937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.21149012 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnGe2 _chemical_formula_sum 'Ni1 Sn1 Ge2' _cell_volume 70.52835366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.16663903 1 Ge Ge1 1 2.11800214 0.00000000 5.25197135 1 Ni Ni2 1 0.00000000 0.00000000 3.96849627 1 Sn Sn3 1 2.11800214 0.00000000 2.19374177 1 [/CIF]
Ge2NiSn
Cmm2
35
orthorhombic
mm2
7,597.347223
false
[CIF] data_TcAg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90530005 _cell_length_b 6.90530005 _cell_length_c 4.57911368 _cell_angle_alpha 107.42194742 _cell_angle_beta 107.42194742 _cell_angle_gamma 24.07174477 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAg2Cl _chemical_formula_sum 'Tc1 Ag2 Cl1' _cell_volume 84.78335267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.99820910 0.00000000 0.43354029 1 Ag Ag1 1 1.88602213 0.00000000 3.12167706 1 Cl Cl2 1 5.15588987 0.00000000 1.79393548 1 Tc Tc3 1 10.11763894 0.00000000 1.18973764 1 [/CIF]
Ag2ClTc
Cm
8
monoclinic
m
6,856.858127
false
[CIF] data_LaNbCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94632845 _cell_length_b 4.94632845 _cell_length_c 4.94632845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbCdMo _chemical_formula_sum 'La1 Nb1 Cd1 Mo1' _cell_volume 85.57242838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49758239 3.49758239 3.49758239 1 La La1 1 1.74879120 1.74879120 1.74879120 1 Mo Mo2 1 5.24637359 5.24637359 5.24637359 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdLaMoNb
F-43m
216
cubic
-43m
8,541.779551
false
[CIF] data_BeIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27214669 _cell_length_b 5.27214669 _cell_length_c 5.27214669 _cell_angle_alpha 149.43223292 _cell_angle_beta 149.43223292 _cell_angle_gamma 43.77546699 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIrPt _chemical_formula_sum 'Be1 Ir1 Pt1' _cell_volume 37.79441630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.74699381 1 Ir Ir1 1 0.00000000 -0.00000000 3.49717766 1 Pt Pt2 1 -0.00000000 0.00000000 6.32426740 1 [/CIF]
BeIrPt
I4mm
107
tetragonal
4mm
17,412.461495
false
[CIF] data_PmDy2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48622797 _cell_length_b 5.48622797 _cell_length_c 5.48622797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmDy2Hf _chemical_formula_sum 'Pm1 Dy2 Hf1' _cell_volume 116.76335138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 5.81902350 5.81902350 5.81902350 1 Dy Dy1 1 1.93967450 1.93967450 1.93967450 1 Hf Hf2 1 3.87934900 3.87934900 3.87934900 1 Pm Pm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2HfPm
Fm-3m
225
cubic
m-3m
9,222.439803
false
[CIF] data_GaMoIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67516793 _cell_length_b 4.67516793 _cell_length_c 4.67516793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoIrPb _chemical_formula_sum 'Ga1 Mo1 Ir1 Pb1' _cell_volume 72.25645473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 4.95876443 4.95876443 4.95876443 1 Mo Mo2 1 3.30584295 3.30584295 3.30584295 1 Pb Pb3 1 1.65292148 1.65292148 1.65292147 1 [/CIF]
GaIrMoPb
F-43m
216
cubic
-43m
12,986.668528
false
[CIF] data_LaScOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80165896 _cell_length_b 4.80165896 _cell_length_c 3.39606596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScOs2 _chemical_formula_sum 'La1 Sc1 Os2' _cell_volume 78.29945487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.40082948 2.40082948 0.00000000 1 Os Os1 1 2.40082948 0.00000000 1.69803298 1 Os Os2 1 0.00000000 2.40082948 1.69803298 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaOs2Sc
P4/mmm
123
tetragonal
4/mmm
11,967.870051
false
[CIF] data_ZrBeNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67334234 _cell_length_b 4.67334234 _cell_length_c 4.67334234 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeNiBi _chemical_formula_sum 'Zr1 Be1 Ni1 Bi1' _cell_volume 72.17184207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.65227603 1.65227603 1.65227603 1 Ni Ni2 1 4.95682809 4.95682809 4.95682809 1 Zr Zr3 1 3.30455206 3.30455206 3.30455206 1 [/CIF]
BeBiNiZr
F-43m
216
cubic
-43m
8,464.920398
false
[CIF] data_CaAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56104828 _cell_length_b 3.56104828 _cell_length_c 11.04343345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgBr2 _chemical_formula_sum 'Ca1 Ag1 Br2' _cell_volume 140.04249538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.52171673 1 Br Br1 1 1.78052414 1.78052414 9.33664905 1 Br Br2 1 1.78052414 1.78052414 1.70678440 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBr2Ca
P4/mmm
123
tetragonal
4/mmm
3,649.168044
false
[CIF] data_TiCrInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47665766 _cell_length_b 4.47665766 _cell_length_c 4.47665766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrInRe _chemical_formula_sum 'Ti1 Cr1 In1 Re1' _cell_volume 63.43758702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 4.74821248 4.74821248 4.74821248 1 In In1 1 3.16547499 3.16547499 3.16547499 1 Re Re2 1 1.58273749 1.58273749 1.58273749 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrInReTi
F-43m
216
cubic
-43m
10,493.626612
false
[CIF] data_AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17841840 _cell_length_b 6.17841840 _cell_length_c 6.17841840 _cell_angle_alpha 149.47638638 _cell_angle_beta 130.42371392 _cell_angle_gamma 59.34583159 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSn _chemical_formula_sum 'Ag2 Sn2' _cell_volume 90.46232911 _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 Ag Ag0 1 1.62634520 1.29519487 1.46902104 1 Ag Ag1 1 -0.00000000 1.29519487 3.89919432 1 Sn Sn2 1 -0.00000000 3.88558461 1.18408873 1 Sn Sn3 1 1.62634520 -1.29519487 4.18412663 1 [/CIF]
Ag2Sn2
Imma
74
orthorhombic
mmm
8,318.201763
false
[CIF] data_KCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31792100 _cell_length_b 5.31792100 _cell_length_c 5.31792100 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCr2Te _chemical_formula_sum 'K1 Cr2 Te1' _cell_volume 106.34342563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64050700 5.64050700 5.64050700 1 Cr Cr1 1 1.88016900 1.88016900 1.88016900 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.76033800 3.76033800 3.76033800 1 [/CIF]
Cr2KTe
Fm-3m
225
cubic
m-3m
4,226.797731
false
[CIF] data_GaAgOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46519724 _cell_length_b 4.46519724 _cell_length_c 4.46519724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgOsPd _chemical_formula_sum 'Ga1 Ag1 Os1 Pd1' _cell_volume 62.95162511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57868563 1.57868563 1.57868563 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.15737125 3.15737125 3.15737125 1 Pd Pd3 1 4.73605688 4.73605688 4.73605688 1 [/CIF]
AgGaOsPd
F-43m
216
cubic
-43m
12,509.542657
false
[CIF] data_MgBiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23055995 _cell_length_b 4.82509654 _cell_length_c 5.59675049 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.91694812 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiBr2 _chemical_formula_sum 'Mg1 Bi1 Br2' _cell_volume 114.09766260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97287525 0.00000000 2.79474952 1 Br Br1 1 0.75967368 2.41254827 4.23879168 1 Br Br2 1 3.18607682 2.41254827 1.35070736 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiBr2Mg
P2/m
10
monoclinic
2/m
5,720.94934
false
[CIF] data_BW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82241663 _cell_length_b 5.82241663 _cell_length_c 4.57284795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.29187833 _symmetry_Int_Tables_number 1 _chemical_formula_structural BW2 _chemical_formula_sum 'B2 W4' _cell_volume 79.16427500 _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 1.54167712 -0.82310558 3.42963596 1 B B1 1 1.54167712 0.82310558 1.14321199 1 W W2 1 1.54167712 -4.84303366 3.42963596 1 W W3 1 1.54167712 3.21501203 3.42963596 1 W W4 1 1.54167712 -3.21501203 1.14321199 1 W W5 1 1.54167712 4.84303366 1.14321199 1 [/CIF]
B2W4
Cmcm
63
orthorhombic
mmm
15,878.351488
false
[CIF] data_HfAg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42271188 _cell_length_b 5.42271188 _cell_length_c 5.42271188 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg5 _chemical_formula_sum 'Hf1 Ag5' _cell_volume 112.75468381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87544105 2.87544105 4.79343163 1 Ag Ag1 1 0.00000000 0.00000000 0.00000000 1 Ag Ag2 1 4.79343163 2.87544105 2.87544105 1 Ag Ag3 1 4.79343163 4.79343163 4.79343163 1 Ag Ag4 1 2.87544105 4.79343163 2.87544105 1 Hf Hf5 1 1.91721817 1.91721817 1.91721817 1 [/CIF]
Ag5Hf
F-43m
216
cubic
-43m
10,571.502472
false
[CIF] data_BeFeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76024335 _cell_length_b 8.76024335 _cell_length_c 8.76024335 _cell_angle_alpha 18.22448109 _cell_angle_beta 18.22448109 _cell_angle_gamma 18.22448109 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeAg2 _chemical_formula_sum 'Be1 Fe1 Ag2' _cell_volume 57.42403929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 19.19565900 1 Ag Ag1 1 0.00000000 0.00000000 6.64190774 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 12.91878337 1 [/CIF]
Ag2BeFe
R-3m
166
trigonal
-3m
8,113.964305
false
[CIF] data_KLiVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30519429 _cell_length_b 5.30519429 _cell_length_c 5.30519429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiVPb _chemical_formula_sum 'K1 Li1 V1 Pb1' _cell_volume 105.58175665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.75133886 3.75133886 3.75133886 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.62700829 5.62700829 5.62700829 1 V V3 1 1.87566943 1.87566943 1.87566943 1 [/CIF]
KLiPbV
F-43m
216
cubic
-43m
4,784.009262
false
[CIF] data_MoPCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92845879 _cell_length_b 7.16283942 _cell_length_c 7.59978405 _cell_angle_alpha 97.19168501 _cell_angle_beta 115.47901824 _cell_angle_gamma 94.84446993 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPCl4 _chemical_formula_sum 'Mo2 P2 Cl8' _cell_volume 333.74614897 _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 Cl Cl0 1 0.18650313 4.24429578 5.24824743 1 Cl Cl1 1 2.86776576 1.66104838 1.50089597 1 Cl Cl2 1 5.25740393 4.73590035 1.37613603 1 Cl Cl3 1 -2.20313504 1.16944381 5.37300737 1 Cl Cl4 1 -0.34677210 1.09230042 1.63685247 1 Cl Cl5 1 3.40104099 4.81304374 5.11229093 1 Cl Cl6 1 1.41603613 0.18200089 5.42375215 1 Cl Cl7 1 1.63823276 5.72334328 1.32539125 1 Mo Mo8 1 5.08491464 6.71029972 0.05618162 1 Mo Mo9 1 -2.03064575 -0.80495556 6.69296177 1 P P10 1 4.00036050 -0.21320333 1.88606392 1 P P11 1 -0.94609161 6.11854749 4.86307948 1 [/CIF]
Cl8Mo2P2
P-1
2
triclinic
-1
2,674.265085
false
[CIF] data_LaRuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88576616 _cell_length_b 3.88244705 _cell_length_c 6.70492671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRuPt2 _chemical_formula_sum 'La1 Ru1 Pt2' _cell_volume 75.12088795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.35246336 1 Pt Pt1 1 1.44288308 1.94122353 5.35131311 1 Pt Pt2 1 1.44288308 1.94122353 1.35361360 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPt2Ru
Pmmm
47
orthorhombic
mmm
13,929.252942
false
[CIF] data_Ni2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50190408 _cell_length_b 4.50190408 _cell_length_c 4.50190408 _cell_angle_alpha 136.17496915 _cell_angle_beta 136.17496915 _cell_angle_gamma 63.70994590 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Sb _chemical_formula_sum 'Ni2 Sb1' _cell_volume 43.17329522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 -0.00000000 0.00000000 2.52385271 1 Ni Ni1 1 -0.00000000 -0.00000000 5.12386227 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2Sb
I4/mmm
139
tetragonal
4/mmm
9,198.10735
false
[CIF] data_ZrCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37936752 _cell_length_b 4.37936752 _cell_length_c 4.37936752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr2Rh _chemical_formula_sum 'Zr1 Cr2 Rh1' _cell_volume 59.39080103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 4.64502071 4.64502071 4.64502071 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.54834024 1.54834024 1.54834024 1 Zr Zr3 1 3.09668047 3.09668047 3.09668047 1 [/CIF]
Cr2RhZr
F-43m
216
cubic
-43m
8,335.38956
false
[CIF] data_Mn2ZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76630027 _cell_length_b 3.76630027 _cell_length_c 3.65330367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnOs _chemical_formula_sum 'Mn2 Zn1 Os1' _cell_volume 51.82217731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88315014 1.82665184 1 Mn Mn1 1 1.88315014 0.00000000 1.82665184 1 Os Os2 1 1.88315014 1.88315014 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2OsZn
P4/mmm
123
tetragonal
4/mmm
11,711.27811
false
[CIF] data_InPdRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53638880 _cell_length_b 4.53638880 _cell_length_c 4.53638880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPdRuPt _chemical_formula_sum 'In1 Pd1 Ru1 Pt1' _cell_volume 66.01092367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81156692 4.81156692 4.81156692 1 Pd Pd1 1 3.20771128 3.20771128 3.20771128 1 Pt Pt2 1 1.60385564 1.60385564 1.60385564 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPdPtRu
F-43m
216
cubic
-43m
13,015.26446
false
[CIF] data_TaZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90117240 _cell_length_b 3.90117240 _cell_length_c 4.17203972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnMo2 _chemical_formula_sum 'Ta1 Zn1 Mo2' _cell_volume 63.49488201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95058620 2.08601986 1 Mo Mo1 1 1.95058620 0.00000000 2.08601986 1 Ta Ta2 1 1.95058620 1.95058620 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2TaZn
P4/mmm
123
tetragonal
4/mmm
11,461.202896
false
[CIF] data_ZrNiSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59532994 _cell_length_b 4.59532994 _cell_length_c 4.59532994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiSnRu _chemical_formula_sum 'Zr1 Ni1 Sn1 Ru1' _cell_volume 68.61753262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 4.87408344 4.87408344 4.87408344 1 Sn Sn2 1 1.62469448 1.62469448 1.62469448 1 Zr Zr3 1 3.24938896 3.24938896 3.24938896 1 [/CIF]
NiRuSnZr
F-43m
216
cubic
-43m
8,946.648941
false
[CIF] data_HfRe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80460017 _cell_length_b 2.80460017 _cell_length_c 9.08018395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.21045741 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe2Au _chemical_formula_sum 'Hf1 Re2 Au1' _cell_volume 67.84554221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64433268 0.00000000 4.56040771 1 Hf Hf1 1 0.00000000 0.00000000 2.17363368 1 Re Re2 1 1.64433268 0.00000000 9.00588471 1 Re Re3 1 0.00000000 0.00000000 6.96053387 1 [/CIF]
AuHfRe2
Cmm2
35
orthorhombic
mm2
18,304.346256
false
[CIF] data_ZnCdNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98542272 _cell_length_b 2.98542272 _cell_length_c 6.30691887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdNi2 _chemical_formula_sum 'Zn1 Cd1 Ni2' _cell_volume 56.21198370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49271136 1.49271136 4.85373349 1 Ni Ni1 1 0.00000000 0.00000000 0.23417281 1 Ni Ni2 1 1.49271136 1.49271136 1.54766901 1 Zn Zn3 1 0.00000000 0.00000000 2.82480305 1 [/CIF]
CdNi2Zn
P4mm
99
tetragonal
4mm
8,719.746863
false
[CIF] data_Na2YAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27294059 _cell_length_b 5.27294059 _cell_length_c 5.27294059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YAl _chemical_formula_sum 'Na2 Y1 Al1' _cell_volume 103.66774157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72853205 3.72853205 3.72853205 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.86426603 1.86426603 1.86426603 1 Y Y3 1 5.59279808 5.59279808 5.59279808 1 [/CIF]
AlNa2Y
F-43m
216
cubic
-43m
2,592.767548
false
[CIF] data_Nb2CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46205670 _cell_length_b 4.28413739 _cell_length_c 4.35436402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CuW _chemical_formula_sum 'Nb2 Cu1 W1' _cell_volume 64.58360734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.14206869 2.17718201 1 Nb Nb2 1 1.73102835 2.14206869 0.00000000 1 W W3 1 1.73102835 0.00000000 2.17718201 1 [/CIF]
CuNb2W
Pmmm
47
orthorhombic
mmm
11,138.174132
false
[CIF] data_ScTaGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74724322 _cell_length_b 4.74724322 _cell_length_c 5.41768537 _cell_angle_alpha 100.78551041 _cell_angle_beta 100.78551041 _cell_angle_gamma 37.83085037 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaGe2 _chemical_formula_sum 'Sc1 Ta1 Ge2' _cell_volume 73.40485419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.48243222 0.00000000 1.51373131 1 Ge Ge1 1 1.42763307 0.00000000 3.79689687 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.95503264 -0.00000000 2.65531409 1 [/CIF]
Ge2ScTa
C2/m
12
monoclinic
2/m
8,396.790571
false
[CIF] data_Fe2TcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49709727 _cell_length_b 4.49709727 _cell_length_c 4.49709727 _cell_angle_alpha 131.85737946 _cell_angle_beta 131.85737946 _cell_angle_gamma 70.45437400 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2TcRu _chemical_formula_sum 'Fe2 Tc1 Ru1' _cell_volume 49.43802069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83424602 1.83677482 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.83424602 0.00000000 1.83677482 1 Tc Tc3 1 0.00000000 0.00000000 3.67354964 1 [/CIF]
Fe2RuTc
I-4m2
119
tetragonal
-42m
10,468.337803
false
[CIF] data_B2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56471078 _cell_length_b 4.56471078 _cell_length_c 4.99856762 _cell_angle_alpha 90.03166119 _cell_angle_beta 90.03166119 _cell_angle_gamma 37.49254227 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2Pd _chemical_formula_sum 'B4 Pd2' _cell_volume 63.39360913 _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 8.30624527 0.00000000 0.94580756 1 B B1 1 3.43707333 -0.00000000 1.78904013 1 B B2 1 6.71702895 0.00000000 1.70044428 1 B B3 1 5.08136773 -0.00000000 1.27014776 1 Pd Pd4 1 7.95005498 0.00000000 3.57120353 1 Pd Pd5 1 1.63957383 0.00000000 4.88596255 1 [/CIF]
B4Pd2
Cm
8
monoclinic
m
6,707.892044
false
[CIF] data_Li2SbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02128990 _cell_length_b 5.02128990 _cell_length_c 5.02128990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SbTe _chemical_formula_sum 'Li2 Sb1 Te1' _cell_volume 89.52222957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32588221 5.32588221 5.32588221 1 Li Li1 1 1.77529407 1.77529407 1.77529407 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.55058814 3.55058814 3.55058814 1 [/CIF]
Li2SbTe
Fm-3m
225
cubic
m-3m
4,882.85007
false
[CIF] data_GaAg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44799643 _cell_length_b 4.44799643 _cell_length_c 5.66436929 _cell_angle_alpha 113.52424015 _cell_angle_beta 113.52424015 _cell_angle_gamma 38.47392268 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2B _chemical_formula_sum 'Ga1 Ag2 B1' _cell_volume 63.18727315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.21783987 -0.00000000 0.11273563 1 Ag Ag1 1 5.90044447 0.00000000 1.96613809 1 B B2 1 3.54974052 -0.00000000 1.93333842 1 Ga Ga3 1 -0.26167708 -0.00000000 3.68779375 1 [/CIF]
Ag2BGa
Cm
8
monoclinic
m
7,785.880747
false
[CIF] data_La2AlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21151764 _cell_length_b 5.21151764 _cell_length_c 5.21151764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AlTc _chemical_formula_sum 'La2 Al1 Tc1' _cell_volume 100.08699201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.84254973 1.84254973 1.84254973 1 La La2 1 5.52764919 5.52764919 5.52764919 1 Tc Tc3 1 3.68509946 3.68509946 3.68509946 1 [/CIF]
AlLa2Tc
Fm-3m
225
cubic
m-3m
6,697.747764
false
[CIF] data_ZrAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35724290 _cell_length_b 5.35724290 _cell_length_c 4.23549872 _cell_angle_alpha 101.87079101 _cell_angle_beta 101.87079101 _cell_angle_gamma 40.73802400 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgAs2 _chemical_formula_sum 'Zr1 Ag1 As2' _cell_volume 77.39626418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.34551463 -0.00000000 0.80296698 1 As As1 1 9.91547718 -0.00000000 0.27410792 1 As As2 1 1.77539282 -0.00000000 2.73706358 1 Zr Zr3 1 4.68083050 -0.00000000 2.38427555 1 [/CIF]
AgAs2Zr
Cm
8
monoclinic
m
7,486.419009
false
[CIF] data_TmBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84529304 _cell_length_b 3.84529304 _cell_length_c 3.84529304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmBi _chemical_formula_sum 'Tm1 Bi1' _cell_volume 56.85757405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92264652 1.92264652 1.92264652 1 Tm Tm1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiTm
Pm-3m
221
cubic
m-3m
11,037.08669
false
[CIF] data_BaZrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45724415 _cell_length_b 3.45724415 _cell_length_c 7.49758389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrP2 _chemical_formula_sum 'Ba1 Zr1 P2' _cell_volume 89.61514970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74879195 1 P P1 1 1.72862208 1.72862208 6.04111891 1 P P2 1 1.72862208 1.72862208 1.45646498 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaP2Zr
P4/mmm
123
tetragonal
4/mmm
5,382.841512
false
[CIF] data_La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72442536 _cell_length_b 3.72442536 _cell_length_c 3.72442536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La _chemical_formula_sum La1 _cell_volume 36.53110664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La
Fm-3m
225
cubic
m-3m
6,314.015115
false
[CIF] data_ReRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98292894 _cell_length_b 3.98292894 _cell_length_c 3.83228103 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRh2Au _chemical_formula_sum 'Re1 Rh2 Au1' _cell_volume 60.79424449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99146447 1.99146447 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 0.00000000 1.99146447 1.91614051 1 Rh Rh3 1 1.99146447 0.00000000 1.91614051 1 [/CIF]
AuReRh2
P4/mmm
123
tetragonal
4/mmm
16,087.573661
false
[CIF] data_Tl2BiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47178487 _cell_length_b 5.47178487 _cell_length_c 5.47178487 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2BiSe _chemical_formula_sum 'Tl2 Bi1 Se1' _cell_volume 115.84360015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86913619 3.86913619 3.86913619 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.93456810 1.93456810 1.93456809 1 Tl Tl3 1 5.80370429 5.80370429 5.80370429 1 [/CIF]
BiSeTl2
Fm-3m
225
cubic
m-3m
9,986.820075
false
[CIF] data_TiNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55257870 _cell_length_b 4.42200934 _cell_length_c 4.67663325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNiSb2 _chemical_formula_sum 'Ti1 Ni1 Sb2' _cell_volume 73.46773930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 2.21100467 2.33831663 1 Sb Sb1 1 1.77628935 2.21100467 0.00000000 1 Sb Sb2 1 1.77628935 0.00000000 2.33831663 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSb2Ti
Pmmm
47
orthorhombic
mmm
7,912.61833
false
[CIF] data_NiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81990825 _cell_length_b 4.81990825 _cell_length_c 4.50892370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 56.42411446 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMo2 _chemical_formula_sum 'Ni2 Mo4' _cell_volume 87.27216550 _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 Mo Mo0 1 5.68909240 -1.02642137 1.12723093 1 Mo Mo1 1 2.80555236 1.02642137 3.38169278 1 Mo Mo2 1 2.80555236 -1.02642137 1.12723093 1 Mo Mo3 1 5.68909240 1.02642137 3.38169278 1 Ni Ni4 1 4.24732238 1.35630716 1.12723093 1 Ni Ni5 1 4.24732238 -1.35630716 3.38169278 1 [/CIF]
Mo4Ni2
Cmcm
63
orthorhombic
mmm
9,536.908794
false
[CIF] data_NaV2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07781683 _cell_length_b 3.15754012 _cell_length_c 7.37997234 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.18384044 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaV2Au _chemical_formula_sum 'Na1 V2 Au1' _cell_volume 71.66891683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.12099044 1.57877006 3.38504188 1 Na Na1 1 1.37840802 0.00000000 5.48400248 1 V V2 1 3.02409356 1.57877006 0.54641548 1 V V3 1 1.45229096 0.00000000 1.64645867 1 [/CIF]
AuNaV2
Pm
6
monoclinic
m
7,456.883932
false
[CIF] data_NiMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38595055 _cell_length_b 3.38595055 _cell_length_c 5.25535766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoAs2 _chemical_formula_sum 'Ni1 Mo1 As2' _cell_volume 60.25089450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69297527 1.69297527 4.93303118 1 As As1 1 0.00000000 0.00000000 1.49799918 1 Mo Mo2 1 1.69297527 1.69297527 2.44934547 1 Ni Ni3 1 0.00000000 0.00000000 4.25801832 1 [/CIF]
As2MoNi
P4mm
99
tetragonal
4mm
8,392.146995
false
[CIF] data_SrBe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01589086 _cell_length_b 3.01589086 _cell_length_c 6.93745740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Ir _chemical_formula_sum 'Sr1 Be2 Ir1' _cell_volume 63.10032143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50794543 1.50794543 2.36187853 1 Be Be1 1 1.50794543 1.50794543 4.57557887 1 Ir Ir2 1 0.00000000 0.00000000 3.46872870 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2IrSr
P4/mmm
123
tetragonal
4/mmm
7,838.477208
false
[CIF] data_LiZn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89285306 _cell_length_b 3.89285306 _cell_length_c 4.02962769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn2Ag _chemical_formula_sum 'Li1 Zn2 Ag1' _cell_volume 61.06620684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94642653 1.94642653 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 1.94642653 2.01481384 1 Zn Zn3 1 1.94642653 0.00000000 2.01481384 1 [/CIF]
AgLiZn2
P4/mmm
123
tetragonal
4/mmm
6,677.625339
false
[CIF] data_H7NO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47383800 _cell_length_b 9.95883900 _cell_length_c 15.35106400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H7NO6 _chemical_formula_sum 'H28 N4 O24' _cell_volume 531.07609748 _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 H H0 1 1.24739617 5.84396623 11.48132173 1 H H1 1 2.98431517 9.09429227 3.86974227 1 H H2 1 2.22644183 0.86454673 11.54527427 1 H H3 1 0.48952283 4.11487277 3.80578973 1 H H4 1 3.31896735 4.77991408 10.25216204 1 H H5 1 0.86505514 5.34447070 9.15846013 1 H H6 1 2.60197414 9.59378780 6.19260387 1 H H7 1 1.58204835 0.19950542 5.09890196 1 H H8 1 2.60878286 0.36505120 13.86813587 1 H H9 1 0.15487065 9.75933358 12.77443396 1 H H10 1 0.87186386 4.61436830 1.48292813 1 H H11 1 1.89178965 5.17892492 2.57663004 1 H H12 1 3.40245410 5.54815884 15.03850099 1 H H13 1 0.52527210 4.09556258 14.74917948 1 H H14 1 1.66553510 9.39009966 0.31256301 1 H H15 1 2.26219110 0.88385692 0.60188452 1 H H16 1 0.07138390 0.56873934 7.98809501 1 H H17 1 2.94856590 9.07498208 8.27741652 1 H H18 1 1.80830290 4.41068016 7.36296899 1 H H19 1 1.21164690 5.86327642 7.07364748 1 H H20 1 1.98829981 2.90822996 13.55727682 1 H H21 1 0.68891766 2.02499049 13.53770421 1 H H22 1 2.42583666 2.95442901 1.81335979 1 H H23 1 0.25138081 2.07118954 1.79378718 1 H H24 1 1.48553819 7.88764946 9.46931918 1 H H25 1 2.78492034 7.00440999 9.48889179 1 H H26 1 3.22245719 7.05060904 5.88174482 1 H H27 1 1.04800134 7.93384851 5.86217221 1 N N28 1 1.08623788 7.24189842 12.82633591 1 N N29 1 2.82315688 7.69636008 2.52472809 1 N N30 1 2.38760012 2.26247892 10.20026009 1 N N31 1 0.65068112 2.71694058 5.15080391 1 O O32 1 1.48756343 5.96745583 12.48178128 1 O O33 1 3.22448243 8.97080267 2.86928272 1 O O34 1 1.98627457 0.98803633 10.54481472 1 O O35 1 0.24935557 3.99138317 4.80624928 1 O O36 1 0.95690689 8.06839243 11.91534237 1 O O37 1 2.69382589 6.86986607 3.43572163 1 O O38 1 2.51693111 3.08897293 11.11125363 1 O O39 1 0.78001211 1.89044657 4.23981037 1 O O40 1 0.89252972 7.42627637 14.01840743 1 O O41 1 2.62944872 7.51198213 1.33265657 1 O O42 1 2.58130828 2.44685687 9.00818857 1 O O43 1 0.84438928 2.53256263 6.34287543 1 O O44 1 0.44952853 5.53318074 10.07973889 1 O O45 1 2.18644753 9.40507776 5.27132511 1 O O46 1 3.02430947 0.55376124 12.94685711 1 O O47 1 1.28739047 4.42565826 2.40420689 1 O O48 1 0.14241694 4.69500502 0.10263721 1 O O49 1 1.87933594 0.28441448 15.24842679 1 O O50 1 3.33142106 9.67442452 7.57289479 1 O O51 1 1.59450206 5.26383398 7.77816921 1 O O52 1 1.02562288 2.94025759 13.68515118 1 O O53 1 2.76254188 2.03916191 1.66591282 1 O O54 1 2.44821512 7.91967709 9.34144482 1 O O55 1 0.71129612 7.01858141 6.00961918 1 [/CIF]
H28N4O24
P2_12_12_1
19
orthorhombic
222
1,464.050159
true
[CIF] data_KCuHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72039354 _cell_length_b 4.76744880 _cell_length_c 4.87983533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuHg2 _chemical_formula_sum 'K1 Cu1 Hg2' _cell_volume 109.81695867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36019677 0.00000000 2.43991766 1 Hg Hg1 1 2.36019677 2.38372440 0.00000000 1 Hg Hg2 1 0.00000000 2.38372440 2.43991766 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHg2K
Pmmm
47
orthorhombic
mmm
7,618.312717
false
[CIF] data_Sr2HfCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73841487 _cell_length_b 3.73841487 _cell_length_c 9.69463350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2HfCd _chemical_formula_sum 'Sr2 Hf1 Cd1' _cell_volume 135.48973284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29636403 1 Hf Hf1 1 1.86920744 1.86920744 6.73667081 1 Sr Sr2 1 0.00000000 0.00000000 9.20940798 1 Sr Sr3 1 1.86920744 1.86920744 2.99414093 1 [/CIF]
CdHfSr2
P4mm
99
tetragonal
4mm
5,712.953654
false
[CIF] data_Ba2BeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68023719 _cell_length_b 3.68023719 _cell_length_c 8.54878306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeRe _chemical_formula_sum 'Ba2 Be1 Re1' _cell_volume 115.78596365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84011859 1.84011859 6.36958781 1 Ba Ba1 1 1.84011859 1.84011859 2.17919525 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.27439153 1 [/CIF]
Ba2BeRe
P4/mmm
123
tetragonal
4/mmm
6,738.671812
false
[CIF] data_BaTiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92609230 _cell_length_b 6.92609230 _cell_length_c 6.92609230 _cell_angle_alpha 148.85450199 _cell_angle_beta 148.85450199 _cell_angle_gamma 44.62551587 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiHg _chemical_formula_sum 'Ba1 Ti1 Hg1' _cell_volume 88.61147609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.78100431 1 Hg Hg1 1 -0.00000000 0.00000000 3.78248536 1 Ti Ti2 1 -0.00000000 0.00000000 9.06652049 1 [/CIF]
BaHgTi
I4mm
107
tetragonal
4mm
7,229.431606
false
[CIF] data_InAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49404120 _cell_length_b 4.49404120 _cell_length_c 4.49404120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAgMo _chemical_formula_sum 'In1 Ag1 Mo1' _cell_volume 64.17947379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76665052 4.76665052 4.76665052 1 In In1 1 3.17776701 3.17776701 3.17776701 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgInMo
F-43m
216
cubic
-43m
8,244.450013
false
[CIF] data_LaCoNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53535498 _cell_length_b 4.53535498 _cell_length_c 4.53535498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoNiRu _chemical_formula_sum 'La1 Co1 Ni1 Ru1' _cell_volume 65.96580336 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.20698026 3.20698026 3.20698026 1 Ni Ni2 1 1.60349013 1.60349013 1.60349013 1 Ru Ru3 1 4.81047039 4.81047039 4.81047039 1 [/CIF]
CoLaNiRu
F-43m
216
cubic
-43m
9,001.818655
false
[CIF] data_YNbTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64189648 _cell_length_b 4.64189648 _cell_length_c 4.64189648 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbTcIr _chemical_formula_sum 'Y1 Nb1 Tc1 Ir1' _cell_volume 70.72473934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64115824 1.64115824 1.64115824 1 Nb Nb1 1 4.92347472 4.92347472 4.92347472 1 Tc Tc2 1 3.28231648 3.28231648 3.28231648 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNbTcY
F-43m
216
cubic
-43m
11,104.003561
false
[CIF] data_TiSn3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68088490 _cell_length_b 4.68088490 _cell_length_c 4.68088490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSn3O _chemical_formula_sum 'Ti1 Sn3 O1' _cell_volume 102.56138730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 2.34044245 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 2.34044245 1 Sn Sn2 1 2.34044245 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 0.00000000 1 Ti Ti4 1 2.34044245 2.34044245 2.34044245 1 [/CIF]
OSn3Ti
Pm-3m
221
cubic
m-3m
6,800.029216
false
[CIF] data_SrAl2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54078475 _cell_length_b 5.54078475 _cell_length_c 3.70673802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.71861481 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2Pb _chemical_formula_sum 'Sr1 Al2 Pb1' _cell_volume 108.39968025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.63389447 2.23728915 1.85336901 1 Al Al1 1 1.63389447 -2.23728915 1.85336901 1 Pb Pb2 1 3.26778895 -0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Al2PbSr
Cmmm
65
orthorhombic
mmm
5,343.027701
false
[CIF] data_Li2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23387331 _cell_length_b 5.13362327 _cell_length_c 4.92984720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GeBi _chemical_formula_sum 'Li2 Ge1 Bi1' _cell_volume 81.84279558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61693665 2.56681164 2.70026080 1 Ge Ge1 1 1.61693665 0.00000000 0.95574815 1 Li Li2 1 0.00000000 2.56681164 0.24943932 1 Li Li3 1 0.00000000 0.00000000 3.48932258 1 [/CIF]
BiGeLi2
Pmm2
25
orthorhombic
mm2
5,995.593909
false
[CIF] data_GaAgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96605520 _cell_length_b 4.96605520 _cell_length_c 4.96605520 _cell_angle_alpha 144.59630386 _cell_angle_beta 127.88382685 _cell_angle_gamma 64.58618936 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgGe _chemical_formula_sum 'Ga1 Ag1 Ge1' _cell_volume 55.31299741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.38997456 1 Ga Ga1 1 0.00000000 0.00000000 2.82508043 1 Ge Ge2 1 -0.00000000 0.00000000 5.57669185 1 [/CIF]
AgGaGe
Imm2
44
orthorhombic
mm2
7,512.134629
false
[CIF] data_Al3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34892876 _cell_length_b 5.34892876 _cell_length_c 5.34892876 _cell_angle_alpha 116.80846291 _cell_angle_beta 116.80846291 _cell_angle_gamma 116.80846291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Ag _chemical_formula_sum 'Al3 Ag1' _cell_volume 69.50917658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 -0.00000000 2.63042727 0.96666873 1 Al Al2 1 -2.27801684 -1.31521363 0.96666873 1 Al Al3 1 2.27801684 -1.31521363 0.96666873 1 [/CIF]
AgAl3
R-3m
166
trigonal
-3m
4,510.642657
false
[CIF] data_HfGeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41123999 _cell_length_b 4.41123999 _cell_length_c 4.41123999 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGeOs _chemical_formula_sum 'Hf1 Ge1 Os1' _cell_volume 60.69697671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.55960886 1.55960886 1.55960885 1 Os Os2 1 3.11921771 3.11921771 3.11921771 1 [/CIF]
GeHfOs
F-43m
216
cubic
-43m
12,074.662728
false
[CIF] data_ScHgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02084169 _cell_length_b 4.36732446 _cell_length_c 6.49234198 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.42408938 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgTe2 _chemical_formula_sum 'Sc1 Hg1 Te2' _cell_volume 108.77631035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31871137 2.18366223 2.51849478 1 Sc Sc1 1 0.27239260 0.00000000 4.76283676 1 Te Te2 1 -1.73282268 2.18366223 5.71320536 1 Te Te3 1 2.31278218 0.00000000 2.49155740 1 [/CIF]
HgScTe2
Pm
6
monoclinic
m
7,644.202554
false
[CIF] data_Hf6Al16Co7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46864403 _cell_length_b 8.46864403 _cell_length_c 8.46864403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Co7 _chemical_formula_sum 'Hf6 Al16 Co7' _cell_volume 429.46387309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56996102 1.41827460 4.56996102 1 Al Al1 1 1.41827460 1.41827460 1.41827460 1 Al Al2 1 4.56996102 4.56996102 1.41827460 1 Al Al3 1 1.41827460 4.56996102 4.56996102 1 Al Al4 1 10.55819664 10.55819664 10.55819664 1 Al Al5 1 7.40651022 10.55819664 7.40651022 1 Al Al6 1 7.40651022 7.40651022 10.55819664 1 Al Al7 1 10.55819664 7.40651022 7.40651022 1 Al Al8 1 7.96200395 4.01446729 7.96200395 1 Al Al9 1 4.01446729 4.01446729 4.01446729 1 Al Al10 1 7.96200395 7.96200395 4.01446729 1 Al Al11 1 4.01446729 7.96200395 7.96200395 1 Al Al12 1 7.96200395 7.96200395 7.96200395 1 Al Al13 1 4.01446729 7.96200395 4.01446729 1 Al Al14 1 4.01446729 4.01446729 7.96200395 1 Al Al15 1 7.96200395 4.01446729 4.01446729 1 Co Co16 1 0.00000000 0.00000000 0.00000000 1 Co Co17 1 2.99411781 2.99411781 5.98823562 1 Co Co18 1 2.99411781 2.99411781 0.00000000 1 Co Co19 1 5.98823562 2.99411781 2.99411781 1 Co Co20 1 -0.00000000 2.99411781 2.99411781 1 Co Co21 1 2.99411781 -0.00000000 2.99411781 1 Co Co22 1 2.99411781 5.98823562 2.99411781 1 Hf Hf23 1 5.98823562 5.98823562 8.28462661 1 Hf Hf24 1 5.98823562 5.98823562 3.69184463 1 Hf Hf25 1 8.28462661 5.98823562 5.98823562 1 Hf Hf26 1 3.69184463 5.98823562 5.98823562 1 Hf Hf27 1 5.98823562 3.69184463 5.98823562 1 Hf Hf28 1 5.98823562 8.28462661 5.98823562 1 [/CIF]
Al16Co7Hf6
Fm-3m
225
cubic
m-3m
7,405.10762
false
[CIF] data_AlCuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08570560 _cell_length_b 3.78024862 _cell_length_c 7.51291140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuNi _chemical_formula_sum 'Al4 Cu4 Ni4' _cell_volume 144.43746148 _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 Al Al0 1 3.34926059 0.94506216 6.76473376 1 Al Al1 1 4.27929781 2.83518647 3.00827806 1 Al Al2 1 1.73644501 2.83518647 0.74817764 1 Al Al3 1 0.80640779 0.94506216 4.50463334 1 Cu Cu4 1 3.30378284 0.94506216 4.29820430 1 Cu Cu5 1 4.32477556 2.83518647 0.54174860 1 Cu Cu6 1 1.78192276 2.83518647 3.21470710 1 Cu Cu7 1 0.76093004 0.94506216 6.97116280 1 Ni Ni8 1 0.40812548 0.94506216 1.99113684 1 Ni Ni9 1 2.13472732 2.83518647 5.74759254 1 Ni Ni10 1 4.67758012 2.83518647 5.52177456 1 Ni Ni11 1 2.95097828 0.94506216 1.76531886 1 [/CIF]
Al4Cu4Ni4
Pnma
62
orthorhombic
mmm
6,862.131072
false
[CIF] data_CdIn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35735462 _cell_length_b 4.35735462 _cell_length_c 4.11848609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn2Rh _chemical_formula_sum 'Cd1 In2 Rh1' _cell_volume 78.19579794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17867731 2.17867731 0.00000000 1 In In1 1 2.17867731 0.00000000 2.05924305 1 In In2 1 0.00000000 2.17867731 2.05924305 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn2Rh
P4/mmm
123
tetragonal
4/mmm
9,448.858231
false
[CIF] data_ZrTcMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51636254 _cell_length_b 4.51636254 _cell_length_c 4.51636254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcMoRu _chemical_formula_sum 'Zr1 Tc1 Mo1 Ru1' _cell_volume 65.14054572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59677529 1.59677529 1.59677529 1 Ru Ru1 1 3.19355058 3.19355058 3.19355058 1 Tc Tc2 1 4.79032587 4.79032587 4.79032587 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoRuTcZr
F-43m
216
cubic
-43m
9,869.34681
false
[CIF] data_HfTiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03505170 _cell_length_b 6.82227449 _cell_length_c 3.16957943 _cell_angle_alpha 80.55397151 _cell_angle_beta 73.05902585 _cell_angle_gamma 26.38700265 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiSb _chemical_formula_sum 'Hf1 Ti1 Sb1' _cell_volume 62.97237145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88384057 2.54899558 13.07146890 1 Sb Sb1 1 1.88384057 2.54899558 8.81394904 1 Ti Ti2 1 1.88384057 2.54899558 4.34268105 1 [/CIF]
HfSbTi
Fmm2
42
orthorhombic
mm2
9,179.611073
false
[CIF] data_CrC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68992380 _cell_length_b 3.68992380 _cell_length_c 3.68992380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrC _chemical_formula_sum 'Cr2 C2' _cell_volume 35.52525425 _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 0.00000000 0.00000000 0.00000000 1 C C1 1 1.30458507 1.30458507 1.30458507 1 Cr Cr2 1 2.60917014 2.60917014 2.60917014 1 Cr Cr3 1 3.91375521 3.91375521 3.91375521 1 [/CIF]
C2Cr2
Fd-3m
227
cubic
m-3m
5,983.675229
false
[CIF] data_LiRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29760078 _cell_length_b 4.29760078 _cell_length_c 4.29760078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Ir _chemical_formula_sum 'Li1 Re2 Ir1' _cell_volume 56.12588624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55829398 4.55829398 4.55829398 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.51943133 1.51943133 1.51943133 1 Re Re3 1 3.03886265 3.03886265 3.03886265 1 [/CIF]
IrLiRe2
F-43m
216
cubic
-43m
16,910.563273
false
[CIF] data_Cr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72108579 _cell_length_b 5.72108579 _cell_length_c 3.88493307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Cl _chemical_formula_sum 'Cr6 Cl3' _cell_volume 110.12123992 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30307042 1.94246654 1 Cl Cl1 1 2.86054289 1.65153521 1.94246654 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Cr Cr3 1 1.51982483 0.00000000 1.94246654 1 Cr Cr4 1 -0.75991242 1.31620691 1.94246654 1 Cr Cr5 1 2.10063048 3.63839871 1.94246654 1 Cr Cr6 1 3.55658692 0.00000000 0.00000000 1 Cr Cr7 1 -1.77829346 3.08009463 0.00000000 1 Cr Cr8 1 1.08224943 1.87451100 0.00000000 1 [/CIF]
Cl3Cr6
P-62m
189
hexagonal
-6m2
6,308.161874
false
[CIF] data_Si2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06115332 _cell_length_b 5.06115332 _cell_length_c 5.06115332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2BiTe _chemical_formula_sum 'Si2 Bi1 Te1' _cell_volume 91.67131986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57877584 3.57877584 3.57877584 1 Si Si1 1 1.78938792 1.78938792 1.78938792 1 Si Si2 1 5.36816375 5.36816375 5.36816375 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSi2Te
Fm-3m
225
cubic
m-3m
7,114.319333
false
[CIF] data_In2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83082473 _cell_length_b 4.83082473 _cell_length_c 3.87203548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TeRh _chemical_formula_sum 'In2 Te1 Rh1' _cell_volume 90.36117923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41541237 0.00000000 1.93601774 1 In In1 1 0.00000000 2.41541237 1.93601774 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.41541237 2.41541237 0.00000000 1 [/CIF]
In2RhTe
P4/mmm
123
tetragonal
4/mmm
8,455.876112
false