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_TiFe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32589001 _cell_length_b 4.32589001 _cell_length_c 4.32589001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFe2Ag _chemical_formula_sum 'Ti1 Fe2 Ag1' _cell_volume 57.24155466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.05886616 3.05886616 3.05886616 1 Fe Fe1 1 4.58829924 4.58829924 4.58829924 1 Fe Fe2 1 1.52943308 1.52943308 1.52943308 1 Ti Ti3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgFe2Ti
Fm-3m
225
cubic
m-3m
7,757.825494
false
[CIF] data_Gd2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11887893 _cell_length_b 5.11887893 _cell_length_c 5.11887893 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2ZnGa _chemical_formula_sum 'Gd2 Zn1 Ga1' _cell_volume 94.84393726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 1.80979700 1.80979700 1.80979700 1 Gd Gd1 1 5.42939100 5.42939100 5.42939100 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 3.61959400 3.61959400 3.61959400 1 [/CIF]
GaGd2Zn
Fm-3m
225
cubic
m-3m
7,871.703427
false
[CIF] data_HoOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57899583 _cell_length_b 4.57899583 _cell_length_c 4.57899583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoOsW2 _chemical_formula_sum 'Ho1 Os1 W2' _cell_volume 67.88842688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.23783900 3.23783900 3.23783900 1 W W2 1 4.85675850 4.85675850 4.85675850 1 W W3 1 1.61891950 1.61891950 1.61891950 1 [/CIF]
HoOsW2
Fm-3m
225
cubic
m-3m
17,680.548002
false
[CIF] data_Na2ScBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01331345 _cell_length_b 5.01331345 _cell_length_c 5.01331345 _cell_angle_alpha 121.00788474 _cell_angle_beta 121.00788474 _cell_angle_gamma 88.26298096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ScBe _chemical_formula_sum 'Na2 Sc1 Be1' _cell_volume 87.69522893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.46837342 0.00000000 1.79913709 1 Na Na2 1 -0.00000000 0.00000000 3.59827418 1 Sc Sc3 1 -0.00000000 2.46837342 1.79913709 1 [/CIF]
BeNa2Sc
I-4m2
119
tetragonal
-42m
1,892.542508
false
[CIF] data_NaAlTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26272970 _cell_length_b 5.26272970 _cell_length_c 5.26272970 _cell_angle_alpha 120.92934878 _cell_angle_beta 120.92934878 _cell_angle_gamma 88.39771938 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlTl2 _chemical_formula_sum 'Na1 Al1 Tl2' _cell_volume 101.57576589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.77297977 1 Na Na1 1 0.00000000 0.00000000 -0.00000000 1 Tl Tl2 1 2.59431567 0.00000000 1.88648989 1 Tl Tl3 1 -0.00000000 2.59431567 1.88648988 1 [/CIF]
AlNaTl2
I4/mmm
139
tetragonal
4/mmm
7,499.936546
false
[CIF] data_ZnNiOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43324025 _cell_length_b 4.43324025 _cell_length_c 4.43324025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiOs3 _chemical_formula_sum 'Zn1 Ni1 Os3' _cell_volume 87.12921532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 2.21662012 2.21662012 2.21662012 1 Os Os2 1 0.00000000 2.21662012 0.00000000 1 Os Os3 1 0.00000000 0.00000000 2.21662012 1 Os Os4 1 2.21662012 0.00000000 0.00000000 1 [/CIF]
NiOs3Zn
Pm-3m
221
cubic
m-3m
13,241.043932
false
[CIF] data_SrHf2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40777135 _cell_length_b 5.40777135 _cell_length_c 5.40777135 _cell_angle_alpha 126.09710722 _cell_angle_beta 126.09710722 _cell_angle_gamma 79.72859698 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Ag _chemical_formula_sum 'Sr1 Hf2 Ag1' _cell_volume 99.74183633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45099276 -0.00000000 2.07540719 1 Hf Hf1 1 0.00000000 -0.00000000 4.15081437 1 Hf Hf2 1 -0.00000000 2.45099276 2.07540719 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHf2Sr
I-4m2
119
tetragonal
-42m
9,197.695399
false
[CIF] data_TiPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93825446 _cell_length_b 2.93825446 _cell_length_c 9.15402414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPCl2 _chemical_formula_sum 'Ti1 P1 Cl2' _cell_volume 79.02979610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.46912723 1.46912723 6.05901626 1 Cl Cl1 1 1.46912723 1.46912723 3.09500788 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.57701207 1 [/CIF]
Cl2PTi
P4/mmm
123
tetragonal
4/mmm
3,146.412627
false
[CIF] data_SrTl2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72280422 _cell_length_b 3.72280422 _cell_length_c 7.87157548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl2Tc _chemical_formula_sum 'Sr1 Tl2 Tc1' _cell_volume 109.09429982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 4.20862450 1 Tc Tc1 1 1.86140211 1.86140211 6.49666227 1 Tl Tl2 1 0.00000000 0.00000000 7.38493083 1 Tl Tl3 1 1.86140211 1.86140211 1.58872110 1 [/CIF]
SrTcTl2
P4mm
99
tetragonal
4mm
9,061.03208
false
[CIF] data_NiOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72353808 _cell_length_b 2.72353808 _cell_length_c 7.50583609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiOs2Pt _chemical_formula_sum 'Ni1 Os2 Pt1' _cell_volume 55.67573768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.68649926 1 Os Os1 1 1.36176904 1.36176904 7.46385370 1 Os Os2 1 0.00000000 0.00000000 1.79853223 1 Pt Pt3 1 1.36176904 1.36176904 3.81570504 1 [/CIF]
NiOs2Pt
P4mm
99
tetragonal
4mm
18,916.24654
false
[CIF] data_TaTi2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41872283 _cell_length_b 4.41872283 _cell_length_c 3.12497389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Fe _chemical_formula_sum 'Ta1 Ti2 Fe1' _cell_volume 61.01546348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 2.20936142 2.20936142 0.00000000 1 Ti Ti2 1 2.20936142 0.00000000 1.56248695 1 Ti Ti3 1 0.00000000 2.20936142 1.56248695 1 [/CIF]
FeTaTi2
P4/mmm
123
tetragonal
4/mmm
9,049.736632
false
[CIF] data_AgBRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79901253 _cell_length_b 4.79901253 _cell_length_c 4.90749155 _cell_angle_alpha 119.96092005 _cell_angle_beta 119.96092005 _cell_angle_gamma 34.73864873 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBRh2 _chemical_formula_sum 'Ag1 B1 Rh2' _cell_volume 54.88280521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.07795755 0.00000000 1.63948423 1 B B1 1 5.49187249 0.00000000 1.55696711 1 Rh Rh2 1 0.70800787 -0.00000000 0.07074713 1 Rh Rh3 1 0.61078324 0.00000000 3.00580397 1 [/CIF]
AgBRh2
Cm
8
monoclinic
m
9,817.804534
false
[CIF] data_Be2BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76587069 _cell_length_b 3.35531587 _cell_length_c 4.23204190 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.43742595 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2BPd _chemical_formula_sum 'Be2 B1 Pd1' _cell_volume 39.15718445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 2.61695388 1.67765794 0.98150061 1 Be Be2 1 -0.17851751 1.67765794 3.23785543 1 Pd Pd3 1 1.21921819 0.00000000 2.10967802 1 [/CIF]
BBe2Pd
P2/m
10
monoclinic
2/m
5,735.775415
false
[CIF] data_InBPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21558729 _cell_length_b 5.21558729 _cell_length_c 5.21558729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBPb2 _chemical_formula_sum 'In1 B1 Pb2' _cell_volume 100.32164780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.68797714 3.68797714 3.68797714 1 Pb Pb2 1 5.53196571 5.53196571 5.53196571 1 Pb Pb3 1 1.84398857 1.84398857 1.84398857 1 [/CIF]
BInPb2
Fm-3m
225
cubic
m-3m
8,938.641572
false
[CIF] data_NbInMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38952976 _cell_length_b 3.38952976 _cell_length_c 6.21183674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInMo2 _chemical_formula_sum 'Nb1 In1 Mo2' _cell_volume 71.36724584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.69476488 1.69476488 4.69264293 1 Mo Mo1 1 0.00000000 0.00000000 0.17630218 1 Mo Mo2 1 1.69476488 1.69476488 1.52645700 1 Nb Nb3 1 0.00000000 0.00000000 2.92235294 1 [/CIF]
InMo2Nb
P4mm
99
tetragonal
4mm
9,298.877119
false
[CIF] data_Li6V5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18552600 _cell_length_b 8.80550664 _cell_length_c 9.92596773 _cell_angle_alpha 98.40716621 _cell_angle_beta 95.63040601 _cell_angle_gamma 90.16071848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6V5O12 _chemical_formula_sum 'Li12 V10 O24' _cell_volume 446.13020031 _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 Li Li0 1 -0.42277491 6.51669837 5.02506843 1 Li Li1 1 0.31079316 5.16840716 9.57827123 1 Li Li2 1 0.20584118 2.12558134 9.63973736 1 Li Li3 1 1.19970883 6.57317023 7.26550926 1 Li Li4 1 0.43319897 -0.73620132 9.67674796 1 Li Li5 1 2.12510528 2.25273587 5.01294325 1 Li Li6 1 2.11008560 7.92387078 5.08887947 1 Li Li7 1 2.87231934 3.51398378 9.58991765 1 Li Li8 1 2.86692037 6.64248240 9.63493028 1 Li Li9 1 3.80863022 2.16940330 7.38628224 1 Li Li10 1 4.58070682 3.67147931 4.96965023 1 Li Li11 1 -0.47159665 0.77673018 5.08345685 1 V V12 1 0.36159677 2.21261640 2.41652453 1 V V13 1 0.38531131 5.14327898 2.43582124 1 V V14 1 0.38559491 8.03030326 2.47315427 1 V V15 1 2.99221037 0.74063417 2.45284143 1 V V16 1 2.96063946 3.66853949 2.41753089 1 V V17 1 2.97312576 6.59300327 2.46126359 1 V V18 1 1.11226554 3.68673745 7.22822508 1 V V19 1 1.34044423 0.69657986 7.44558909 1 V V20 1 3.67573048 5.09725626 7.22055525 1 V V21 1 3.90896595 -0.71776584 7.43045460 1 O O22 1 -0.66121976 6.64660332 8.45701026 1 O O23 1 -0.36140102 0.62871106 8.45431360 1 O O24 1 -0.54647985 3.79747781 8.39754708 1 O O25 1 0.37811516 -0.60379133 6.26374133 1 O O26 1 0.19044207 5.03296611 6.20299822 1 O O27 1 0.47763283 2.23973812 6.20708228 1 O O28 1 1.22011497 0.71766289 3.52897253 1 O O29 1 1.17263532 3.53922670 3.49311484 1 O O30 1 1.21156441 6.70041766 3.55962254 1 O O31 1 1.90266016 2.18060976 8.38493338 1 O O32 1 2.09336721 5.14628675 1.33857612 1 O O33 1 2.07139000 8.06989516 1.35083808 1 O O34 1 2.04713535 2.17104602 1.38960737 1 O O35 1 2.02552591 4.96867208 8.38627194 1 O O36 1 2.14504983 -0.70987924 8.43845610 1 O O37 1 2.87278609 3.69647792 6.22443466 1 O O38 1 2.98883039 0.56308973 6.27145024 1 O O39 1 3.10285232 6.58234393 6.27416644 1 O O40 1 3.86692801 8.06747168 3.53332039 1 O O41 1 3.85389499 2.21206765 3.54600248 1 O O42 1 3.88739994 5.13337277 3.48924573 1 O O43 1 4.72810350 3.66186124 1.34348091 1 O O44 1 4.71356693 6.68056675 1.33427711 1 O O45 1 4.80777183 0.70783123 1.42706741 1 [/CIF]
Li12O24V10
P1
1
triclinic
1
3,635.342815
true
[CIF] data_MnCr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10320083 _cell_length_b 3.10320083 _cell_length_c 6.77302451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr2Br _chemical_formula_sum 'Mn1 Cr2 Br1' _cell_volume 65.22324638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55160041 1.55160041 4.98983684 1 Cr Cr1 1 0.00000000 0.00000000 0.36475602 1 Cr Cr2 1 1.55160041 1.55160041 1.69075559 1 Mn Mn3 1 0.00000000 0.00000000 3.11418831 1 [/CIF]
BrCr2Mn
P4mm
99
tetragonal
4mm
6,080.687606
false
[CIF] data_MnAlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15957985 _cell_length_b 5.15957985 _cell_length_c 5.15957985 _cell_angle_alpha 146.90992369 _cell_angle_beta 131.09213000 _cell_angle_gamma 60.32464309 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlIr2 _chemical_formula_sum 'Mn1 Al1 Ir2' _cell_volume 55.99813372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.69737976 1 Ir Ir1 1 0.00000000 2.13586748 4.36874188 1 Ir Ir2 1 0.00000000 0.00000000 2.29277357 1 Mn Mn3 1 -0.00000000 2.13586748 0.02410671 1 [/CIF]
AlIr2Mn
Imm2
44
orthorhombic
mm2
13,829.002737
false
[CIF] data_VZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37946776 _cell_length_b 4.37946776 _cell_length_c 4.37946776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnCd _chemical_formula_sum 'V1 Zn1 Cd1' _cell_volume 59.39487907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09675135 3.09675135 3.09675135 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.64512702 4.64512702 4.64512702 1 [/CIF]
CdVZn
F-43m
216
cubic
-43m
6,394.814805
false
[CIF] data_TlIr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84799495 _cell_length_b 4.82400671 _cell_length_c 4.87176736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIr2Pt _chemical_formula_sum 'Tl1 Ir2 Pt1' _cell_volume 66.93197798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.42399747 0.00000000 2.43588368 1 Pt Pt2 1 1.42399747 2.41200336 0.00000000 1 Tl Tl3 1 0.00000000 2.41200336 2.43588368 1 [/CIF]
Ir2PtTl
Pmmm
47
orthorhombic
mmm
19,448.084045
false
[CIF] data_Bi2PtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43667544 _cell_length_b 3.43667544 _cell_length_c 9.13093050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PtPb _chemical_formula_sum 'Bi2 Pt1 Pb1' _cell_volume 107.84302840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71833772 1.71833772 1.76413686 1 Bi Bi1 1 1.71833772 1.71833772 7.36679364 1 Pb Pb2 1 0.00000000 0.00000000 4.56546525 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PbPt
P4/mmm
123
tetragonal
4/mmm
12,630.219239
false
[CIF] data_CaTaCdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12267742 _cell_length_b 5.12267742 _cell_length_c 5.12267742 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaCdIn _chemical_formula_sum 'Ca1 Ta1 Cd1 In1' _cell_volume 95.05523240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.62227994 3.62227994 3.62227994 1 In In2 1 1.81113997 1.81113997 1.81113997 1 Ta Ta3 1 5.43341991 5.43341991 5.43341991 1 [/CIF]
CaCdInTa
F-43m
216
cubic
-43m
7,830.655096
false
[CIF] data_ThSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86565603 _cell_length_b 3.86565603 _cell_length_c 3.86565603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThSb _chemical_formula_sum 'Th1 Sb1' _cell_volume 57.76564461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Th Th1 1 1.93282802 1.93282802 1.93282802 1 [/CIF]
SbTh
Pm-3m
221
cubic
m-3m
10,170.423447
false
[CIF] data_TaCdAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63099165 _cell_length_b 4.63099165 _cell_length_c 4.63099165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdAgPd _chemical_formula_sum 'Ta1 Cd1 Ag1 Pd1' _cell_volume 70.22746569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91190840 4.91190840 4.91190840 1 Cd Cd1 1 3.27460560 3.27460560 3.27460560 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.63730280 1.63730280 1.63730280 1 [/CIF]
AgCdPdTa
F-43m
216
cubic
-43m
12,003.392122
false
[CIF] data_TiCrBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61122649 _cell_length_b 4.61122649 _cell_length_c 4.61122649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrBiMo _chemical_formula_sum 'Ti1 Cr1 Bi1 Mo1' _cell_volume 69.33210147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89094428 4.89094428 4.89094428 1 Cr Cr1 1 3.26062952 3.26062952 3.26062952 1 Mo Mo2 1 1.63031476 1.63031476 1.63031476 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCrMoTi
F-43m
216
cubic
-43m
9,695.249556
false
[CIF] data_MgTa2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89702283 _cell_length_b 4.14315645 _cell_length_c 5.73784217 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.65419408 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2Mn _chemical_formula_sum 'Mg1 Ta2 Mn1' _cell_volume 67.19742033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Mn Mn1 1 -0.62848372 0.00000000 2.79923497 1 Ta Ta2 1 0.34866137 2.07157823 4.04229656 1 Ta Ta3 1 1.29139401 2.07157823 1.55617338 1 [/CIF]
MgMnTa2
P2/m
10
monoclinic
2/m
10,901.136024
false
[CIF] data_InPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38128034 _cell_length_b 3.38128034 _cell_length_c 8.02170925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPCl2 _chemical_formula_sum 'In1 P1 Cl2' _cell_volume 91.71265699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.69064017 1.69064017 7.39107231 1 Cl Cl1 1 0.00000000 0.00000000 2.52798496 1 In In2 1 1.69064017 1.69064017 4.19118602 1 P P3 1 0.00000000 0.00000000 5.94402984 1 [/CIF]
Cl2InP
P4mm
99
tetragonal
4mm
3,923.50534
false
[CIF] data_AlTl2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24628749 _cell_length_b 5.24628749 _cell_length_c 5.24628749 _cell_angle_alpha 131.86720736 _cell_angle_beta 131.86720736 _cell_angle_gamma 70.43883944 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTl2Os _chemical_formula_sum 'Al1 Tl2 Os1' _cell_volume 78.46848691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 4.28595182 1 Tl Tl2 1 0.00000000 2.13940990 2.14297591 1 Tl Tl3 1 2.13940990 0.00000000 2.14297591 1 [/CIF]
AlOsTl2
I4/mmm
139
tetragonal
4/mmm
13,246.861191
false
[CIF] data_LiMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82639633 _cell_length_b 9.82639633 _cell_length_c 9.82639633 _cell_angle_alpha 16.55184490 _cell_angle_beta 16.55184490 _cell_angle_gamma 16.55184490 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMoAu2 _chemical_formula_sum 'Li1 Mo1 Au2' _cell_volume 67.15146251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 29.01033195 1 Au Au1 1 -0.00000000 0.00000000 21.94932646 1 Li Li2 1 -0.00000000 0.00000000 14.45406531 1 Mo Mo3 1 -0.00000000 0.00000000 7.25916265 1 [/CIF]
Au2LiMo
R3m
160
trigonal
3m
12,285.845531
false
[CIF] data_YSiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95959997 _cell_length_b 2.95959997 _cell_length_c 6.77188391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiNi2 _chemical_formula_sum 'Y1 Si1 Ni2' _cell_volume 59.31650226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47979999 1.47979999 5.51413629 1 Ni Ni1 1 1.47979999 1.47979999 1.25774762 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.38594196 1 [/CIF]
Ni2SiY
P4/mmm
123
tetragonal
4/mmm
6,561.407135
false
[CIF] data_Li2BiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33458911 _cell_length_b 3.33458911 _cell_length_c 7.37668368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BiAs _chemical_formula_sum 'Li2 Bi1 As1' _cell_volume 82.02492008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06497961 1 Bi Bi1 1 1.66729456 1.66729456 5.73739233 1 Li Li2 1 0.00000000 0.00000000 0.31683174 1 Li Li3 1 1.66729456 1.66729456 1.94582184 1 [/CIF]
AsBiLi2
P4mm
99
tetragonal
4mm
6,028.435809
false
[CIF] data_Si2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79005438 _cell_length_b 3.45206640 _cell_length_c 7.45713351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2HgPt _chemical_formula_sum 'Si2 Hg1 Pt1' _cell_volume 71.82303076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39502719 1.72603320 3.83689661 1 Pt Pt1 1 0.00000000 0.00000000 6.11157692 1 Si Si2 1 1.39502719 1.72603320 7.34781656 1 Si Si3 1 0.00000000 0.00000000 1.34654370 1 [/CIF]
HgPtSi2
Pmm2
25
orthorhombic
mm2
10,446.597235
false
[CIF] data_FeP2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26097841 _cell_length_b 4.26097841 _cell_length_c 4.26097841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP2Pt _chemical_formula_sum 'Fe1 P2 Pt1' _cell_volume 54.70323423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.50648337 1.50648337 1.50648336 1 P P2 1 4.51945010 4.51945010 4.51945009 1 Pt Pt3 1 3.01296673 3.01296673 3.01296673 1 [/CIF]
FeP2Pt
Fm-3m
225
cubic
m-3m
9,497.494955
false
[CIF] data_TlCuMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50772590 _cell_length_b 4.50772590 _cell_length_c 4.50772590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuMoRh _chemical_formula_sum 'Tl1 Cu1 Mo1 Rh1' _cell_volume 64.76755491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.78116533 4.78116533 4.78116532 1 Rh Rh2 1 3.18744355 3.18744355 3.18744355 1 Tl Tl3 1 1.59372177 1.59372178 1.59372177 1 [/CIF]
CuMoRhTl
F-43m
216
cubic
-43m
11,967.890444
false
[CIF] data_KBeCuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97703656 _cell_length_b 4.97703656 _cell_length_c 4.97703656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeCuBi _chemical_formula_sum 'K1 Be1 Cu1 Bi1' _cell_volume 87.17611171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27894445 5.27894445 5.27894445 1 Cu Cu2 1 3.51929630 3.51929630 3.51929630 1 K K3 1 1.75964815 1.75964815 1.75964815 1 [/CIF]
BeBiCuK
F-43m
216
cubic
-43m
6,107.522558
false
[CIF] data_NaUCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71418945 _cell_length_b 4.71418945 _cell_length_c 4.71418945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaUCu2 _chemical_formula_sum 'Na1 U1 Cu2' _cell_volume 74.08087386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.66671766 1.66671766 1.66671766 1 Cu Cu1 1 5.00015299 5.00015299 5.00015299 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 U U3 1 3.33343533 3.33343533 3.33343533 1 [/CIF]
Cu2NaU
Fm-3m
225
cubic
m-3m
8,699.586162
false
[CIF] data_MnBi4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32975318 _cell_length_b 6.32975318 _cell_length_c 6.32975318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBi4Au _chemical_formula_sum 'Mn1 Bi4 Au1' _cell_volume 179.32685418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23790570 2.23790570 2.23790570 1 Bi Bi1 1 3.36282302 3.36282302 5.58879978 1 Bi Bi2 1 3.36282302 5.58879978 3.36282302 1 Bi Bi3 1 5.58879978 3.36282302 3.36282302 1 Bi Bi4 1 5.58879978 5.58879978 5.58879978 1 Mn Mn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBi4Mn
F-43m
216
cubic
-43m
10,073.103297
false
[CIF] data_GdAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16986950 _cell_length_b 4.16986950 _cell_length_c 4.16986950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdAs _chemical_formula_sum 'Gd1 As1' _cell_volume 51.26871031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 2.94854300 2.94854300 2.94854300 1 As As1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsGd
Fm-3m
225
cubic
m-3m
7,519.791499
false
[CIF] data_Tl2BiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31443172 _cell_length_b 5.31443172 _cell_length_c 5.31443172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2BiMo _chemical_formula_sum 'Tl2 Bi1 Mo1' _cell_volume 106.13423596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87893535 1.87893535 1.87893535 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.63680607 5.63680607 5.63680607 1 Tl Tl3 1 3.75787071 3.75787071 3.75787071 1 [/CIF]
BiMoTl2
F-43m
216
cubic
-43m
11,166.40964
false
[CIF] data_NiRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99181829 _cell_length_b 4.99181829 _cell_length_c 4.99181829 _cell_angle_alpha 116.98707484 _cell_angle_beta 116.98707484 _cell_angle_gamma 116.98707484 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRu3 _chemical_formula_sum 'Ni1 Ru3' _cell_volume 54.97474337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -2.12796527 -1.22858132 0.87616020 1 Ru Ru2 1 2.12796527 -1.22858132 0.87616020 1 Ru Ru3 1 -0.00000000 2.45716265 0.87616020 1 [/CIF]
NiRu3
R-3m
166
trigonal
-3m
10,931.469567
false
[CIF] data_CuGe7N10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00479025 _cell_length_b 7.38426216 _cell_length_c 10.27123169 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.84241117 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGe7N10 _chemical_formula_sum 'Cu2 Ge14 N20' _cell_volume 517.99163220 _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 Cu Cu0 1 5.11481973 6.62422324 6.73873775 1 Cu Cu1 1 6.25631438 0.76003892 1.73158885 1 Ge Ge2 1 1.97056778 7.24345514 8.24701517 1 Ge Ge3 1 3.11206243 0.14080702 3.23986628 1 Ge Ge4 1 2.33626889 0.12726960 0.24190438 1 Ge Ge5 1 1.19477424 7.25699256 5.24905327 1 Ge Ge6 1 0.65515430 2.92415017 0.73288877 1 Ge Ge7 1 -0.48634035 4.46011199 5.74003767 1 Ge Ge8 1 2.34139585 2.64073849 9.93072817 1 Ge Ge9 1 3.48289050 4.74352367 4.92357928 1 Ge Ge10 1 4.07087273 4.56022937 8.14927453 1 Ge Ge11 1 5.21236738 2.82403279 3.14212563 1 Ge Ge12 1 0.11868393 4.62962224 8.83084172 1 Ge Ge13 1 1.26017859 2.75463992 3.82369283 1 Ge Ge14 1 1.85805882 2.69341501 6.87291302 1 Ge Ge15 1 2.99955347 4.69084715 1.86576412 1 N N16 1 3.56486729 6.33767724 8.00531329 1 N N17 1 4.70636194 1.04658492 2.99816439 1 N N18 1 1.66507898 0.97468487 9.73910028 1 N N19 1 2.80657363 6.40957729 4.73195138 1 N N20 1 0.28762444 6.44372071 8.69935750 1 N N21 1 1.42911909 0.94054145 3.69220861 1 N N22 1 0.79608070 1.08929866 0.49378369 1 N N23 1 -0.34541395 6.29496350 5.50093259 1 N N24 1 0.40564172 3.78334732 7.22739512 1 N N25 1 1.54713637 3.60091484 2.22024623 1 N N26 1 1.59768016 0.89455957 6.75303686 1 N N27 1 2.73917481 6.48970259 1.74588797 1 N N28 1 5.87021723 2.79237417 1.31874692 1 N N29 1 4.72872258 4.59188799 6.32589582 1 N N30 1 -1.59712669 4.23956513 9.41270708 1 N N31 1 -0.45563204 3.14469703 4.40555818 1 N N32 1 3.06343055 3.02302854 8.25320661 1 N N33 1 4.20492521 4.36123362 3.24605772 1 N N34 1 3.47682260 4.03238112 0.20289598 1 N N35 1 2.33532795 3.35188104 5.21004488 1 [/CIF]
Cu2Ge14N20
Pc
7
monoclinic
m
4,565.549604
false
[CIF] data_LiAgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88537336 _cell_length_b 3.88537336 _cell_length_c 3.88537336 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAgB2 _chemical_formula_sum 'Li1 Ag1 B2' _cell_volume 41.47470225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74737385 2.74737385 2.74737385 1 B B1 1 4.12106078 4.12106078 4.12106078 1 B B2 1 1.37368693 1.37368693 1.37368693 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgB2Li
Fm-3m
225
cubic
m-3m
5,462.349944
false
[CIF] data_La2TaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39902083 _cell_length_b 5.13585856 _cell_length_c 6.03160603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaCl _chemical_formula_sum 'La2 Ta1 Cl1' _cell_volume 105.29308435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.69951042 2.56792928 0.00000000 1 La La2 1 0.00000000 0.00000000 3.01580302 1 Ta Ta3 1 1.69951042 2.56792928 3.01580302 1 [/CIF]
ClLa2Ta
Pmmm
47
orthorhombic
mmm
7,794.035471
false
[CIF] data_LaCdSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01223430 _cell_length_b 5.01223430 _cell_length_c 5.01223430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdSi3 _chemical_formula_sum 'La1 Cd1 Si3' _cell_volume 125.91981950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 2.50611715 0.00000000 1 Si Si1 1 0.00000000 0.00000000 2.50611715 1 Si Si2 1 2.50611715 0.00000000 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.50611715 2.50611715 2.50611715 1 [/CIF]
CdLaSi3
Pm-3m
221
cubic
m-3m
4,425.292449
false
[CIF] data_YV2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82258344 _cell_length_b 8.82258344 _cell_length_c 8.82258344 _cell_angle_alpha 20.55314494 _cell_angle_beta 20.55314494 _cell_angle_gamma 20.55314494 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2Ga _chemical_formula_sum 'Y1 V2 Ga1' _cell_volume 74.08857089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77200413 1 V V1 1 0.00000000 0.00000000 0.12835846 1 V V2 1 -0.00000000 0.00000000 19.05302020 1 Y Y3 1 -0.00000000 0.00000000 12.89673449 1 [/CIF]
GaV2Y
R3m
160
trigonal
3m
5,838.823707
false
[CIF] data_La2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21328446 _cell_length_b 8.21328446 _cell_length_c 8.21328446 _cell_angle_alpha 29.95528986 _cell_angle_beta 29.95528986 _cell_angle_gamma 29.95528986 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HgP _chemical_formula_sum 'La2 Hg1 P1' _cell_volume 122.35272296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 -0.00000000 11.75855226 1 La La1 1 -0.00000000 -0.00000000 17.31627870 1 La La2 1 0.00000000 -0.00000000 6.20082581 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2P
R-3m
166
trigonal
-3m
6,920.233266
false
[CIF] data_RePtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26677665 _cell_length_b 4.26677665 _cell_length_c 4.26677665 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePtW _chemical_formula_sum 'Re1 Pt1 W1' _cell_volume 54.92685464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.50853335 1.50853335 1.50853335 1 Re Re1 1 3.01706670 3.01706670 3.01706670 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtReW
F-43m
216
cubic
-43m
17,084.941589
false
[CIF] data_SnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.05989385 _cell_length_b 16.05989385 _cell_length_c 16.05989385 _cell_angle_alpha 163.95943014 _cell_angle_beta 163.95943014 _cell_angle_gamma 22.76013316 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg2 _chemical_formula_sum 'Sn4 Hg8' _cell_volume 316.19904419 _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 Hg Hg0 1 -0.00000000 2.24073558 0.00751642 1 Hg Hg1 1 -0.00000000 2.24073558 15.73663801 1 Hg Hg2 1 0.00000000 -0.00000000 23.62374806 1 Hg Hg3 1 0.00000000 0.00000000 7.86456080 1 Hg Hg4 1 2.24073558 -0.00000000 10.44486507 1 Hg Hg5 1 2.24073558 0.00000000 5.29928936 1 Hg Hg6 1 -0.00000000 0.00000000 18.31694229 1 Hg Hg7 1 -0.00000000 0.00000000 13.17136657 1 Sn Sn8 1 0.00000000 2.24073558 5.14045446 1 Sn Sn9 1 -0.00000000 2.24073558 10.60369997 1 Sn Sn10 1 0.00000000 0.00000000 28.75668610 1 Sn Sn11 1 -0.00000000 0.00000000 2.73162276 1 [/CIF]
Hg8Sn4
I4_1/amd
141
tetragonal
4/mmm
10,920.939468
false
[CIF] data_SnRuBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20822732 _cell_length_b 6.20822732 _cell_length_c 6.20822732 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnRuBr4 _chemical_formula_sum 'Sn1 Ru1 Br4' _cell_volume 169.19512084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28399641 3.28399641 5.49576287 1 Br Br1 1 3.28399641 5.49576287 3.28399641 1 Br Br2 1 5.49576287 3.28399641 3.28399641 1 Br Br3 1 5.49576287 5.49576287 5.49576287 1 Ru Ru4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 2.19493982 2.19493982 2.19493982 1 [/CIF]
Br4RuSn
F-43m
216
cubic
-43m
5,293.817729
false
[CIF] data_ScZnTc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59445139 _cell_length_b 4.59445139 _cell_length_c 4.59445139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnTc3 _chemical_formula_sum 'Sc1 Zn1 Tc3' _cell_volume 96.98419893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 2.29722569 2.29722569 2.29722569 1 Tc Tc2 1 0.00000000 2.29722569 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 2.29722569 1 Tc Tc4 1 2.29722569 0.00000000 0.00000000 1 [/CIF]
ScTc3Zn
Pm-3m
221
cubic
m-3m
6,969.484997
false
[CIF] data_Y2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01705358 _cell_length_b 6.01705358 _cell_length_c 6.01705358 _cell_angle_alpha 138.00367560 _cell_angle_beta 138.00367560 _cell_angle_gamma 60.89736927 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SnPd _chemical_formula_sum 'Y2 Sn1 Pd1' _cell_volume 96.45986265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18720187 1 Sn Sn1 1 0.00000000 2.15613897 2.59360094 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.15613897 0.00000000 2.59360094 1 [/CIF]
PdSnY2
I-4m2
119
tetragonal
-42m
6,936.568392
false
[CIF] data_Fe3BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36182004 _cell_length_b 4.36182004 _cell_length_c 4.36182004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3BAs _chemical_formula_sum 'Fe3 B1 As1' _cell_volume 82.98569403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18091002 2.18091002 2.18091002 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 2.18091002 0.00000000 2.18091002 1 Fe Fe3 1 2.18091002 2.18091002 0.00000000 1 Fe Fe4 1 0.00000000 2.18091002 2.18091002 1 [/CIF]
AsBFe3
Pm-3m
221
cubic
m-3m
5,067.87042
false
[CIF] data_Fe2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54145092 _cell_length_b 4.54145092 _cell_length_c 4.54145092 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2GeSb _chemical_formula_sum 'Fe2 Ge1 Sb1' _cell_volume 66.23215358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 4.81693611 4.81693611 4.81693611 1 Ge Ge2 1 3.21129074 3.21129074 3.21129074 1 Sb Sb3 1 1.60564537 1.60564537 1.60564537 1 [/CIF]
Fe2GeSb
F-43m
216
cubic
-43m
7,674.133717
false
[CIF] data_LaCdTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33751494 _cell_length_b 5.33751494 _cell_length_c 4.04886819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdTe2 _chemical_formula_sum 'La1 Cd1 Te2' _cell_volume 115.34847202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.66875747 2.66875747 0.00000000 1 Te Te2 1 2.66875747 0.00000000 2.02443410 1 Te Te3 1 0.00000000 2.66875747 2.02443410 1 [/CIF]
CdLaTe2
P4/mmm
123
tetragonal
4/mmm
7,291.734096
false
[CIF] data_CdMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27287825 _cell_length_b 3.27287825 _cell_length_c 6.84966690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoAs2 _chemical_formula_sum 'Cd1 Mo1 As2' _cell_volume 73.37179639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63643913 1.63643913 1.39809880 1 As As1 1 1.63643913 1.63643913 5.45156810 1 Cd Cd2 1 0.00000000 0.00000000 3.42483345 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CdMo
P4/mmm
123
tetragonal
4/mmm
8,107.047974
false
[CIF] data_LiSn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55653628 _cell_length_b 4.55653628 _cell_length_c 4.60598440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSn2Hg _chemical_formula_sum 'Li1 Sn2 Hg1' _cell_volume 95.62955346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27826814 2.27826814 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.27826814 2.30299220 1 Sn Sn3 1 2.27826814 0.00000000 2.30299220 1 [/CIF]
HgLiSn2
P4/mmm
123
tetragonal
4/mmm
7,726.257119
false
[CIF] data_Ni2PtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35876659 _cell_length_b 4.35876659 _cell_length_c 4.35876659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2PtBr _chemical_formula_sum 'Ni2 Pt1 Br1' _cell_volume 58.55659871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.54105671 1.54105671 1.54105671 1 Ni Ni2 1 4.62317012 4.62317012 4.62317012 1 Pt Pt3 1 3.08211341 3.08211341 3.08211341 1 [/CIF]
BrNi2Pt
Fm-3m
225
cubic
m-3m
11,126.929015
false
[CIF] data_LaTaTiCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62693617 _cell_length_b 4.62693617 _cell_length_c 4.62693617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaTiCo _chemical_formula_sum 'La1 Ta1 Ti1 Co1' _cell_volume 70.04312698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.63586897 1.63586897 1.63586897 1 La La1 1 4.90760691 4.90760691 4.90760691 1 Ta Ta2 1 3.27173794 3.27173794 3.27173794 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLaTaTi
F-43m
216
cubic
-43m
10,114.837956
false
[CIF] data_IrRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69102714 _cell_length_b 2.69102714 _cell_length_c 9.36701588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99052179 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRuRh2 _chemical_formula_sum 'Ir1 Ru1 Rh2' _cell_volume 58.75022257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.68350794 1 Rh Rh1 1 1.34570633 0.00000000 7.04418590 1 Rh Rh2 1 1.34570633 0.00000000 2.32282998 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRh2Ru
Cmmm
65
orthorhombic
mmm
14,106.699359
false
[CIF] data_HgPtCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42486766 _cell_length_b 4.42486766 _cell_length_c 4.10726999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPtCl2 _chemical_formula_sum 'Hg1 Pt1 Cl2' _cell_volume 80.41810305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21243383 2.05363499 1 Cl Cl1 1 2.21243383 0.00000000 2.05363499 1 Hg Hg2 1 2.21243383 2.21243383 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2HgPt
P4/mmm
123
tetragonal
4/mmm
9,634.327202
false
[CIF] data_Be2NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66411873 _cell_length_b 2.66411873 _cell_length_c 5.90386402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NiMo _chemical_formula_sum 'Be2 Ni1 Mo1' _cell_volume 41.90284378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33205937 1.33205937 1.20563640 1 Be Be1 1 1.33205937 1.33205937 4.69822762 1 Mo Mo2 1 0.00000000 0.00000000 2.95193201 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2MoNi
P4/mmm
123
tetragonal
4/mmm
6,842.928718
false
[CIF] data_Mn3BeIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16706435 _cell_length_b 4.16706435 _cell_length_c 4.16706435 _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 72.35867761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.08353217 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 2.08353217 1 Mn Mn3 1 2.08353217 0.00000000 0.00000000 1 In In4 1 2.08353217 2.08353217 2.08353217 1 [/CIF]
BeInMn3
Pm-3m
221
cubic
m-3m
6,624.017748
false
[CIF] data_KBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45194446 _cell_length_b 5.45194446 _cell_length_c 5.45194446 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe2 _chemical_formula_sum 'K2 Be4' _cell_volume 114.58803488 _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 Be Be0 1 2.89133018 2.89133018 4.81888363 1 Be Be1 1 4.81888363 2.89133017 2.89133018 1 Be Be2 1 2.89133017 4.81888363 2.89133018 1 Be Be3 1 4.81888363 4.81888363 4.81888363 1 K K4 1 0.00000000 0.00000000 0.00000000 1 K K5 1 1.92755345 1.92755345 1.92755345 1 [/CIF]
Be4K2
Fd-3m
227
cubic
m-3m
1,655.57277
false
[CIF] data_TaSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41737555 _cell_length_b 9.41737555 _cell_length_c 9.41737555 _cell_angle_alpha 17.72284028 _cell_angle_beta 17.72284028 _cell_angle_gamma 17.72284028 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2As _chemical_formula_sum 'Ta1 Si2 As1' _cell_volume 67.56077053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 -0.00000000 -0.00000000 20.99371385 1 Si Si2 1 -0.00000000 -0.00000000 6.80787372 1 Ta Ta3 1 -0.00000000 0.00000000 13.90079378 1 [/CIF]
AsSi2Ta
R-3m
166
trigonal
-3m
7,669.471547
false
[CIF] data_HfAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44515500 _cell_length_b 3.44515500 _cell_length_c 6.65761500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg _chemical_formula_sum 'Hf2 Ag2' _cell_volume 79.01985142 _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 0.00000000 1.72257750 5.72532254 1 Hf Hf1 1 1.72257750 0.00000000 0.93229246 1 Ag Ag2 1 0.00000000 1.72257750 2.54949372 1 Ag Ag3 1 1.72257750 0.00000000 4.10812128 1 [/CIF]
Ag2Hf2
P4/nmm
129
tetragonal
4/mmm
12,035.177733
false
[CIF] data_SiMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60868090 _cell_length_b 4.60868090 _cell_length_c 4.60868090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoAu2 _chemical_formula_sum 'Si1 Mo1 Au2' _cell_volume 69.21734243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88824428 4.88824428 4.88824428 1 Au Au1 1 1.62941476 1.62941476 1.62941476 1 Mo Mo2 1 3.25882952 3.25882952 3.25882952 1 Si Si3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Au2MoSi
Fm-3m
225
cubic
m-3m
12,426.419938
false
[CIF] data_NaLaAlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96599564 _cell_length_b 4.96599564 _cell_length_c 4.96599564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaAlW _chemical_formula_sum 'Na1 La1 Al1 W1' _cell_volume 86.59723053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51148919 3.51148919 3.51148919 1 La La1 1 1.75574459 1.75574459 1.75574459 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.26723378 5.26723379 5.26723379 1 [/CIF]
AlLaNaW
F-43m
216
cubic
-43m
7,147.004202
false
[CIF] data_TcOsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59703479 _cell_length_b 5.59703479 _cell_length_c 5.59703479 _cell_angle_alpha 149.26748961 _cell_angle_beta 149.26748961 _cell_angle_gamma 44.01772319 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcOsSe _chemical_formula_sum 'Tc1 Os1 Se1' _cell_volume 45.65895775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 -0.00000000 0.00000000 0.07089394 1 Se Se1 1 -0.00000000 0.00000000 3.42920068 1 Tc Tc2 1 0.00000000 0.00000000 6.87821729 1 [/CIF]
OsSeTc
I4mm
107
tetragonal
4mm
13,387.036203
false
[CIF] data_NaSrLi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75408279 _cell_length_b 5.75408279 _cell_length_c 5.75408279 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrLi2 _chemical_formula_sum 'Na1 Sr1 Li2' _cell_volume 134.71418276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.10312644 6.10312644 6.10312644 1 Li Li1 1 2.03437548 2.03437548 2.03437548 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 4.06875096 4.06875096 4.06875096 1 [/CIF]
Li2NaSr
Fm-3m
225
cubic
m-3m
1,534.533648
false
[CIF] data_Li2NiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35206370 _cell_length_b 5.35206370 _cell_length_c 4.14427403 _cell_angle_alpha 102.84915384 _cell_angle_beta 102.84915384 _cell_angle_gamma 34.40585770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NiBr _chemical_formula_sum 'Li2 Ni1 Br1' _cell_volume 65.23483623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.78611767 0.00000000 0.94689814 1 Li Li1 1 0.20453161 0.00000000 0.21728942 1 Li Li2 1 1.54888106 0.00000000 2.76871022 1 Ni Ni3 1 4.35118027 -0.00000000 2.11271555 1 [/CIF]
BrLi2Ni
Cm
8
monoclinic
m
3,881.331129
false
[CIF] data_FeGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73965565 _cell_length_b 4.73965565 _cell_length_c 4.73965565 _cell_angle_alpha 132.31760838 _cell_angle_beta 132.31760838 _cell_angle_gamma 69.72785919 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeGeP2 _chemical_formula_sum 'Fe1 Ge1 P2' _cell_volume 57.09320472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88894389 1 Ge Ge1 1 0.00000000 1.91578327 1.94447195 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 1.91578327 0.00000000 1.94447195 1 [/CIF]
FeGeP2
I-4m2
119
tetragonal
-42m
5,538.673949
false
[CIF] data_Mg2TlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34015039 _cell_length_b 5.13293158 _cell_length_c 5.22370509 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.85995191 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TlGe _chemical_formula_sum 'Mg2 Tl1 Ge1' _cell_volume 89.51200321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.09533087 0.00000000 4.41517697 1 Mg Mg1 1 2.77993733 2.56646579 4.75963060 1 Mg Mg2 1 2.87348608 0.00000000 1.70455651 1 Tl Tl3 1 1.17776264 2.56646579 2.17301831 1 [/CIF]
GeMg2Tl
Pm
6
monoclinic
m
6,040.830242
false
[CIF] data_KSrNbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24155707 _cell_length_b 5.24155707 _cell_length_c 5.24155707 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrNbRe _chemical_formula_sum 'K1 Sr1 Nb1 Re1' _cell_volume 101.82770578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.55951083 5.55951083 5.55951083 1 Re Re2 1 1.85317028 1.85317028 1.85317028 1 Sr Sr3 1 3.70634055 3.70634055 3.70634055 1 [/CIF]
KNbReSr
F-43m
216
cubic
-43m
6,618.035376
false
[CIF] data_PRh5Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35539450 _cell_length_b 7.20754861 _cell_length_c 13.09770963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRh5Pb3 _chemical_formula_sum 'P4 Rh20 Pb12' _cell_volume 694.36673809 _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 P P0 1 4.13336666 2.86187826 9.82328222 1 P P1 1 3.22202784 4.34567035 3.27442741 1 P P2 1 3.22202784 6.46565257 9.82328222 1 P P3 1 4.13336666 0.74189604 3.27442741 1 Pb Pb4 1 0.60233031 1.09632552 9.82328222 1 Pb Pb5 1 6.75306419 6.11122309 3.27442741 1 Pb Pb6 1 6.75306419 4.70009982 9.82328222 1 Pb Pb7 1 0.60233031 2.50744879 3.27442741 1 Pb Pb8 1 5.39169122 3.66859352 6.06463380 1 Pb Pb9 1 1.96370328 3.53895509 12.61348861 1 Pb Pb10 1 1.96370328 0.06481921 0.48422102 1 Pb Pb11 1 5.39169122 7.14272940 7.03307583 1 Pb Pb12 1 1.96370328 3.53895509 7.03307583 1 Pb Pb13 1 5.39169122 3.66859352 0.48422102 1 Pb Pb14 1 5.39169122 7.14272940 12.61348861 1 Pb Pb15 1 1.96370328 0.06481921 6.06463380 1 Rh Rh16 1 1.91630976 3.50771678 9.82328222 1 Rh Rh17 1 5.43908474 3.69983183 3.27442741 1 Rh Rh18 1 5.43908474 7.11149109 9.82328222 1 Rh Rh19 1 1.91630976 0.09605752 3.27442741 1 Rh Rh20 1 1.50743735 4.83281674 4.69983464 1 Rh Rh21 1 5.84795715 2.37473187 11.24868946 1 Rh Rh22 1 5.84795715 1.22904243 1.84902017 1 Rh Rh23 1 1.50743735 5.97850618 8.39787499 1 Rh Rh24 1 5.84795715 2.37473187 8.39787499 1 Rh Rh25 1 1.50743735 4.83281674 1.84902017 1 Rh Rh26 1 1.50743735 5.97850618 11.24868946 1 Rh Rh27 1 5.84795715 1.22904243 4.69983464 1 Rh Rh28 1 4.19026431 5.99942169 1.85462363 1 Rh Rh29 1 3.16513019 1.20812692 8.40347845 1 Rh Rh30 1 3.16513019 2.39564739 4.69423118 1 Rh Rh31 1 4.19026431 4.81190122 11.24308600 1 Rh Rh32 1 3.16513019 1.20812692 11.24308600 1 Rh Rh33 1 4.19026431 5.99942169 4.69423118 1 Rh Rh34 1 4.19026431 4.81190122 8.40347845 1 Rh Rh35 1 3.16513019 2.39564739 1.85462363 1 [/CIF]
P4Pb12Rh20
Pbcm
57
orthorhombic
mmm
11,164.228549
false
[CIF] data_KBe2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81427474 _cell_length_b 2.81427474 _cell_length_c 7.73262505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe2Cu _chemical_formula_sum 'K1 Be2 Cu1' _cell_volume 61.24349084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40713737 1.40713737 0.80064914 1 Be Be1 1 0.00000000 0.00000000 1.86125368 1 Cu Cu2 1 1.40713737 1.40713737 3.07848639 1 K K3 1 0.00000000 0.00000000 5.85854844 1 [/CIF]
Be2CuK
P4mm
99
tetragonal
4mm
3,271.776771
false
[CIF] data_TaSi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82055876 _cell_length_b 7.82055876 _cell_length_c 7.82055876 _cell_angle_alpha 27.16109134 _cell_angle_beta 27.16109134 _cell_angle_gamma 27.16109134 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2Te _chemical_formula_sum 'Ta1 Si2 Te1' _cell_volume 87.93542936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 -0.00000000 -0.00000000 0.82266375 1 Si Si1 1 -0.00000000 -0.00000000 16.82981403 1 Ta Ta2 1 -0.00000000 0.00000000 10.95198519 1 Te Te3 1 -0.00000000 -0.00000000 5.26976056 1 [/CIF]
Si2TaTe
R3m
160
trigonal
3m
6,887.212042
false
[CIF] data_Na2CaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60212215 _cell_length_b 3.60212215 _cell_length_c 9.25143272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.09751829 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaCu _chemical_formula_sum 'Na2 Ca1 Cu1' _cell_volume 119.95953774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 4.62571636 1 Na Na2 1 2.50003831 0.00000000 6.30879279 1 Na Na3 1 2.50003831 0.00000000 2.94263993 1 [/CIF]
CaCuNa2
Cmmm
65
orthorhombic
mmm
2,070.885942
false
[CIF] data_AgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69496115 _cell_length_b 5.69496115 _cell_length_c 6.96876373 _cell_angle_alpha 91.09644042 _cell_angle_beta 91.09644042 _cell_angle_gamma 59.53039025 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPt2 _chemical_formula_sum 'Ag4 Pt8' _cell_volume 194.75460058 _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 8.17344525 -0.00000000 2.37342408 1 Ag Ag1 1 2.47180445 -1.41362244 0.00000000 1 Ag Ag2 1 1.56015589 -0.00000000 4.59364631 1 Ag Ag3 1 2.47180445 1.41362244 0.00000000 1 Pt Pt4 1 5.69123764 -1.41560414 2.26278881 1 Pt Pt5 1 4.94360890 -0.00000000 0.00000000 1 Pt Pt6 1 4.04236350 1.41560414 4.70428158 1 Pt Pt7 1 3.28107347 0.00000000 2.36212976 1 Pt Pt8 1 6.45252767 -0.00000000 4.60494063 1 Pt Pt9 1 5.69123764 1.41560414 2.26278881 1 Pt Pt10 1 0.00000000 0.00000000 0.00000000 1 Pt Pt11 1 4.04236350 -1.41560414 4.70428158 1 [/CIF]
Ag4Pt8
C2/m
12
monoclinic
2/m
16,985.654032
false
[CIF] data_SrMnNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78517626 _cell_length_b 4.78517626 _cell_length_c 4.78517626 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnNb2 _chemical_formula_sum 'Sr1 Mn1 Nb2' _cell_volume 77.47807460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.38363058 3.38363058 3.38363058 1 Nb Nb2 1 1.69181529 1.69181529 1.69181529 1 Sr Sr3 1 5.07544587 5.07544587 5.07544587 1 [/CIF]
MnNb2Sr
F-43m
216
cubic
-43m
7,037.765882
false
[CIF] data_Fe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85501732 _cell_length_b 3.85501732 _cell_length_c 3.85501732 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2As _chemical_formula_sum 'Fe2 As1' _cell_volume 40.51016422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.08886334 4.08886334 4.08886334 1 Fe Fe2 1 1.36295444 1.36295444 1.36295445 1 [/CIF]
AsFe2
Fm-3m
225
cubic
m-3m
7,649.335866
false
[CIF] data_NbRePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44944936 _cell_length_b 9.44944936 _cell_length_c 9.44944936 _cell_angle_alpha 16.99161989 _cell_angle_beta 16.99161989 _cell_angle_gamma 16.99161989 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRePd2 _chemical_formula_sum 'Nb1 Re1 Pd2' _cell_volume 62.86024262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 21.00177719 1 Pd Pd2 1 0.00000000 0.00000000 6.93103337 1 Re Re3 1 0.00000000 -0.00000000 13.96640528 1 [/CIF]
NbPd2Re
R-3m
166
trigonal
-3m
12,995.61967
false
[CIF] data_VHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43582088 _cell_length_b 3.43582088 _cell_length_c 7.86153203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHg2Br _chemical_formula_sum 'V1 Hg2 Br1' _cell_volume 92.80432525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93076602 1 Hg Hg1 1 1.71791044 1.71791044 6.13568927 1 Hg Hg2 1 1.71791044 1.71791044 1.72584276 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrHg2V
P4/mmm
123
tetragonal
4/mmm
9,519.482253
false
[CIF] data_IrOs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16589091 _cell_length_b 9.16589091 _cell_length_c 9.16589091 _cell_angle_alpha 17.18246421 _cell_angle_beta 17.18246421 _cell_angle_gamma 17.18246421 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrOs2Pd _chemical_formula_sum 'Ir1 Os2 Pd1' _cell_volume 58.63594700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 20.24009641 1 Os Os1 1 -0.00000000 -0.00000000 27.05922969 1 Os Os2 1 0.00000000 -0.00000000 6.85467406 1 Pd Pd3 1 0.00000000 0.00000000 13.55974760 1 [/CIF]
IrOs2Pd
R3m
160
trigonal
3m
19,231.66853
false
[CIF] data_CdTc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69060467 _cell_length_b 2.69060467 _cell_length_c 9.52576900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.56296730 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTc2Ag _chemical_formula_sum 'Cd1 Tc2 Ag1' _cell_volume 66.43205699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 0.00000000 4.76288450 1 Tc Tc2 1 1.62742972 0.00000000 7.16696674 1 Tc Tc3 1 1.62742972 0.00000000 2.35880226 1 [/CIF]
AgCdTc2
Cmmm
65
orthorhombic
mmm
10,450.638844
false
[CIF] data_ScSn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20061238 _cell_length_b 6.20061238 _cell_length_c 6.20061238 _cell_angle_alpha 139.06528346 _cell_angle_beta 139.06528346 _cell_angle_gamma 59.27532180 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSn2Sb _chemical_formula_sum 'Sc1 Sn2 Sb1' _cell_volume 101.34315822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 5.38938670 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.16819105 2.69469335 1 Sn Sn3 1 2.16819106 -0.00000000 2.69469335 1 [/CIF]
SbScSn2
I4/mmm
139
tetragonal
4/mmm
6,621.949404
false
[CIF] data_LiMg2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09379799 _cell_length_b 3.09379799 _cell_length_c 8.94151268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.88970762 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2Hg _chemical_formula_sum 'Li1 Mg2 Hg1' _cell_volume 83.42783881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.47075634 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.92826403 0.00000000 2.27156814 1 Mg Mg3 1 1.92826403 0.00000000 6.66994454 1 [/CIF]
HgLiMg2
Cmmm
65
orthorhombic
mmm
5,098.203946
false
[CIF] data_K2BeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66513752 _cell_length_b 4.72634727 _cell_length_c 7.97759928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BeTe _chemical_formula_sum 'K2 Be1 Te1' _cell_volume 138.19366046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.83256876 2.36317363 2.10096722 1 K K2 1 1.83256876 2.36317363 5.87663206 1 Te Te3 1 0.00000000 0.00000000 3.98879964 1 [/CIF]
BeK2Te
Pmmm
47
orthorhombic
mmm
2,581.148608
false
[CIF] data_NbMo7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70491444 _cell_length_b 5.70491444 _cell_length_c 5.70491444 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbMo7 _chemical_formula_sum 'Nb1 Mo7' _cell_volume 131.29023012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01699184 2.01699184 0.00000000 1 Mo Mo1 1 2.01699185 0.00000000 2.01699185 1 Mo Mo2 1 4.03398369 2.01699185 2.01699185 1 Mo Mo3 1 0.00000000 2.01699185 2.01699185 1 Mo Mo4 1 2.01699185 4.03398369 2.01699185 1 Mo Mo5 1 2.01699185 2.01699185 4.03398369 1 Mo Mo6 1 4.03398369 4.03398369 4.03398369 1 Nb Nb7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo7Nb
Fm-3m
225
cubic
m-3m
9,670.87935
false
[CIF] data_NaScGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63378754 _cell_length_b 4.63378754 _cell_length_c 4.63378754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScGaTc _chemical_formula_sum 'Na1 Sc1 Ga1 Tc1' _cell_volume 70.35473857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63829129 1.63829129 1.63829129 1 Na Na1 1 0.00000000 -0.00000000 0.00000000 1 Sc Sc2 1 4.91487388 4.91487388 4.91487388 1 Tc Tc3 1 3.27658259 3.27658259 3.27658259 1 [/CIF]
GaNaScTc
F-43m
216
cubic
-43m
5,583.729547
false
[CIF] data_Al2GePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25953534 _cell_length_b 3.70899181 _cell_length_c 7.13630107 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.30096715 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2GePb _chemical_formula_sum 'Al2 Ge1 Pb1' _cell_volume 85.90596720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.04647279 1.85449591 5.71347078 1 Al Al1 1 1.55375829 1.85449591 1.39230932 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 -0.32965213 0.00000000 3.55289005 1 [/CIF]
Al2GePb
P2/m
10
monoclinic
2/m
6,452.323026
false
[CIF] data_MgTlFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86603074 _cell_length_b 4.33284496 _cell_length_c 5.63996032 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.38457132 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlFe2 _chemical_formula_sum 'Mg1 Tl1 Fe2' _cell_volume 68.13506554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.16070111 2.16642248 4.32716680 1 Fe Fe1 1 1.72116031 2.16642248 1.15960232 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.78022960 0.00000000 2.74338456 1 [/CIF]
Fe2MgTl
P2/m
10
monoclinic
2/m
8,295.456387
false
[CIF] data_Al2SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57511562 _cell_length_b 4.57511562 _cell_length_c 3.95550317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiPb _chemical_formula_sum 'Al2 Si1 Pb1' _cell_volume 82.79533821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 2.28755781 1.97775159 1 Al Al1 1 2.28755781 0.00000000 1.97775159 1 Pb Pb2 1 2.28755781 2.28755781 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2PbSi
P4/mmm
123
tetragonal
4/mmm
5,801.154664
false
[CIF] data_ZrNi4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77712227 _cell_length_b 4.77712227 _cell_length_c 4.77712227 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi4Ru _chemical_formula_sum 'Zr1 Ni4 Ru1' _cell_volume 77.08751980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.21317042 4.21317042 2.54270068 1 Ni Ni1 1 4.21317042 2.54270068 4.21317042 1 Ni Ni2 1 2.54270068 4.21317042 4.21317042 1 Ni Ni3 1 2.54270068 2.54270068 2.54270068 1 Ru Ru4 1 5.06690333 5.06690333 5.06690333 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni4RuZr
F-43m
216
cubic
-43m
9,199.445458
false
[CIF] data_KSrBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23727906 _cell_length_b 5.23727906 _cell_length_c 5.23727906 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrBeAu _chemical_formula_sum 'K1 Sr1 Be1 Au1' _cell_volume 101.57858257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85165777 1.85165777 1.85165777 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 5.55497331 5.55497331 5.55497331 1 Sr Sr3 1 3.70331554 3.70331554 3.70331554 1 [/CIF]
AuBeKSr
F-43m
216
cubic
-43m
5,438.709978
false
[CIF] data_Be2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38177334 _cell_length_b 6.38177334 _cell_length_c 6.38177334 _cell_angle_alpha 151.18313655 _cell_angle_beta 151.18313655 _cell_angle_gamma 41.20741112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2V _chemical_formula_sum 'Be4 V2' _cell_volume 60.25470522 _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 Be Be0 1 1.58799212 0.00000000 3.95176413 1 Be Be1 1 0.00000000 0.00000000 5.00859771 1 Be Be2 1 1.58799212 0.00000000 2.02181043 1 Be Be3 1 0.00000000 0.00000000 6.93855141 1 V V4 1 0.00000000 1.58799212 2.98678728 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be4V2
I4_1/amd
141
tetragonal
4/mmm
3,801.213897
false
[CIF] data_Ni2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89148721 _cell_length_b 4.89148721 _cell_length_c 3.24284221 _cell_angle_alpha 109.25139996 _cell_angle_beta 109.25139996 _cell_angle_gamma 89.02557827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2SeBr _chemical_formula_sum 'Ni2 Se1 Br1' _cell_volume 68.78837862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48809008 -0.00000000 0.00000000 1 Ni Ni1 1 1.74404504 1.71463369 0.00000000 1 Ni Ni2 1 1.74404504 -1.71463368 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrNi2Se
C2/m
12
monoclinic
2/m
6,668.644541
false
[CIF] data_LaZrReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79963810 _cell_length_b 4.79963810 _cell_length_c 4.79963810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrReW _chemical_formula_sum 'La1 Zr1 Re1 W1' _cell_volume 78.18266669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69692832 1.69692832 1.69692833 1 Re Re1 1 5.09078498 5.09078498 5.09078498 1 W W2 1 3.39385665 3.39385665 3.39385665 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaReWZr
F-43m
216
cubic
-43m
12,747.281686
false
[CIF] data_SnAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92334057 _cell_length_b 4.92334057 _cell_length_c 4.92334057 _cell_angle_alpha 128.50590515 _cell_angle_beta 128.50590515 _cell_angle_gamma 75.80690304 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAsW2 _chemical_formula_sum 'Sn1 As1 W2' _cell_volume 71.07548972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.13869344 -0.00000000 1.94237375 1 W W2 1 0.00000000 -0.00000000 3.88474749 1 W W3 1 0.00000000 2.13869344 1.94237375 1 [/CIF]
AsSnW2
I-4m2
119
tetragonal
-42m
13,113.941866
false
[CIF] data_NbSiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93581178 _cell_length_b 3.93581178 _cell_length_c 4.89632797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiHg2 _chemical_formula_sum 'Nb1 Si1 Hg2' _cell_volume 75.84712840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 1.96790589 2.44816399 1 Hg Hg1 1 1.96790589 0.00000000 2.44816399 1 Nb Nb2 1 1.96790589 1.96790589 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2NbSi
P4/mmm
123
tetragonal
4/mmm
11,432.043028
false
[CIF] data_LaCdHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73121176 _cell_length_b 3.73121176 _cell_length_c 7.58205411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdHg2 _chemical_formula_sum 'La1 Cd1 Hg2' _cell_volume 105.55691148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.86560588 1.86560588 1.73079916 1 Hg Hg2 1 1.86560588 1.86560588 5.85125495 1 La La3 1 0.00000000 0.00000000 3.79102705 1 [/CIF]
CdHg2La
P4/mmm
123
tetragonal
4/mmm
10,264.565949
false