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_SrZrBe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81533553
_cell_length_b 4.81533553
_cell_length_c 4.81533553
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrZrBe
_chemical_formula_sum 'Sr1 Zr1 Be1'
_cell_volume 78.95227799
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Sr Sr1 1 5.10743461 5.10743462 5.10743461 1
Zr Zr2 1 1.70247821 1.70247821 1.70247821 1
[/CIF]
| BeSrZr | F-43m | 216 | cubic | -43m | 3,951.02633 | false |
[CIF]
data_TaIrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17812729
_cell_length_b 6.17812729
_cell_length_c 6.17812729
_cell_angle_alpha 152.34689554
_cell_angle_beta 152.34689554
_cell_angle_gamma 39.50693501
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaIrAu
_chemical_formula_sum 'Ta1 Ir1 Au1'
_cell_volume 50.70230674
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 11.61401541 1
Ir Ir1 1 -0.00000000 0.00000000 7.88300087 1
Ta Ta2 1 0.00000000 -0.00000000 3.76129919 1
[/CIF]
| AuIrTa | I4mm | 107 | tetragonal | 4mm | 18,672.238155 | false |
[CIF]
data_BiMoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13525633
_cell_length_b 3.13525633
_cell_length_c 9.14363229
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiMoSe2
_chemical_formula_sum 'Bi1 Mo1 Se2'
_cell_volume 89.88037161
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 0.00000000 0.00000000 4.57181614 1
Mo Mo1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 1.56762817 1.56762817 1.52993102 1
Se Se3 1 1.56762817 1.56762817 7.61370127 1
[/CIF]
| BiMoSe2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,551.341776 | false |
[CIF]
data_K3As(PSe3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29782400
_cell_length_b 23.86420300
_cell_length_c 12.45042449
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.56717412
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3As(PSe3)3
_chemical_formula_sum 'K12 As4 P12 Se36'
_cell_volume 2030.19916230
_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
K K0 1 -4.25465940 19.88494261 7.38903010 1
K K1 1 1.95644890 7.95284111 7.98963890 1
K K2 1 5.48846040 3.97926039 2.86341590 1
K K3 1 -0.72264790 15.91136189 2.26280710 1
K K4 1 -0.06526266 16.48794490 7.65538865 1
K K5 1 -2.23294784 4.55584340 7.72328035 1
K K6 1 1.29906366 7.37625810 2.59705735 1
K K7 1 3.46674884 19.30835960 2.52916565 1
K K8 1 0.03059590 23.25012933 7.88736049 1
K K9 1 -2.32880640 11.31802783 7.49130851 1
K K10 1 1.20320510 0.61407367 2.36508551 1
K K11 1 3.56260740 12.54617517 2.76113749 1
As As12 1 -4.84730223 13.76181767 7.48311680 1
As As13 1 2.54909173 1.82971617 7.89555220 1
As As14 1 6.08110323 10.10238533 2.76932920 1
As As15 1 -1.31529073 22.03448683 2.35689380 1
P P16 1 -3.26885114 15.88628062 5.41743348 1
P P17 1 0.97064064 3.95417912 9.96123552 1
P P18 1 4.50265214 7.97792238 4.83501252 1
P P19 1 0.26316036 19.91002388 0.29121048 1
P P20 1 -3.08978023 0.65325869 5.95211904 1
P P21 1 0.79156973 12.58536019 9.42654996 1
P P22 1 4.32358123 23.21094431 4.30032696 1
P P23 1 0.44223127 11.27884281 0.82589604 1
P P24 1 -1.65000727 7.78044610 5.61557225 1
P P25 1 -0.64820323 19.71254760 9.76309675 1
P P26 1 2.88380827 16.08375690 4.63687375 1
P P27 1 1.88200423 4.15165540 0.48934925 1
Se Se28 1 -6.06709798 14.38987577 9.50327927 1
Se Se29 1 3.76888748 2.45777427 5.87538973 1
Se Se30 1 7.30089898 9.47432723 0.74916673 1
Se Se31 1 -2.53508648 21.40642873 4.37705627 1
Se Se32 1 -5.94312717 21.84063791 10.01532743 1
Se Se33 1 3.64491667 9.90853641 5.36334157 1
Se Se34 1 7.17692817 2.02356509 0.23711857 1
Se Se35 1 -2.41111567 13.95566659 4.88910443 1
Se Se36 1 -5.71873646 18.12820317 9.99016793 1
Se Se37 1 3.42052596 6.19610167 5.38850107 1
Se Se38 1 6.95253746 5.73599983 0.26227807 1
Se Se39 1 -2.18672496 17.66810133 4.86394493 1
Se Se40 1 -3.68533194 15.93711137 7.67143373 1
Se Se41 1 1.38712144 4.00500987 7.70723527 1
Se Se42 1 4.91913294 7.92709163 2.58101227 1
Se Se43 1 -0.15332044 19.85919313 2.54521073 1
Se Se44 1 -3.37642188 23.45746152 7.83035689 1
Se Se45 1 1.07821138 11.52536002 7.54831211 1
Se Se46 1 4.61022288 0.40674148 2.42208911 1
Se Se47 1 0.15558962 12.33884298 2.70413389 1
Se Se48 1 -1.14535836 1.41867914 5.40065022 1
Se Se49 1 -1.15285214 13.35078064 9.97801878 1
Se Se50 1 2.37915936 22.44552386 4.85179578 1
Se Se51 1 2.38665314 10.51342236 0.27442722 1
Se Se52 1 -0.63333666 19.99194969 7.61039067 1
Se Se53 1 -1.66487384 8.05984819 7.76827833 1
Se Se54 1 1.86713766 3.87225331 2.64205533 1
Se Se55 1 2.89867484 15.80435481 2.48416767 1
Se Se56 1 1.98599299 17.93416333 5.33115914 1
Se Se57 1 -4.28420349 6.00206183 10.04750986 1
Se Se58 1 -0.75219199 5.93003967 4.92128686 1
Se Se59 1 5.51800449 17.86214117 0.20493614 1
Se Se60 1 1.89190777 14.23280158 5.64133664 1
Se Se61 1 -4.19011827 2.30070008 9.73733236 1
Se Se62 1 -0.65810677 9.63140142 4.61110936 1
Se Se63 1 5.42391927 21.56350292 0.51511364 1
[/CIF]
| As4K12P12Se36 | P2_1/c | 14 | monoclinic | 2/m | 3,257.863457 | true |
[CIF]
data_CrNi2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52688345
_cell_length_b 4.52688345
_cell_length_c 4.52688345
_cell_angle_alpha 133.96861140
_cell_angle_beta 133.96861140
_cell_angle_gamma 67.13703850
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrNi2Ru
_chemical_formula_sum 'Cr1 Ni2 Ru1'
_cell_volume 47.26467000
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 -0.00000000 -0.00000000 1
Ni Ni1 1 1.76993563 0.00000000 1.88595662 1
Ni Ni2 1 -0.00000000 1.76993563 1.88595662 1
Ru Ru3 1 0.00000000 -0.00000000 3.77191324 1
[/CIF]
| CrNi2Ru | I4/mmm | 139 | tetragonal | 4/mmm | 9,501.76117 | false |
[CIF]
data_LiYVTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59981282
_cell_length_b 4.59981282
_cell_length_c 4.59981282
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiYVTc
_chemical_formula_sum 'Li1 Y1 V1 Tc1'
_cell_volume 68.81854420
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Tc Tc1 1 4.87883826 4.87883826 4.87883826 1
V V2 1 1.62627942 1.62627942 1.62627942 1
Y Y3 1 3.25255884 3.25255884 3.25255884 1
[/CIF]
| LiTcVY | F-43m | 216 | cubic | -43m | 5,928.422397 | false |
[CIF]
data_TiAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31804586
_cell_length_b 4.31804586
_cell_length_c 4.31804586
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2Ni
_chemical_formula_sum 'Ti1 Al2 Ni1'
_cell_volume 56.93073000
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.52665975 1.52665975 1.52665975 1
Al Al1 1 4.57997926 4.57997926 4.57997926 1
Ni Ni2 1 3.05331951 3.05331951 3.05331951 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2NiTi | Fm-3m | 225 | cubic | m-3m | 4,682.286281 | false |
[CIF]
data_SrPbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57581382
_cell_length_b 5.57581382
_cell_length_c 5.57581382
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrPbBr2
_chemical_formula_sum 'Sr1 Pb1 Br2'
_cell_volume 122.57722723
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.97134788 1.97134788 1.97134788 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 5.91404364 5.91404364 5.91404364 1
Sr Sr3 1 3.94269576 3.94269576 3.94269576 1
[/CIF]
| Br2PbSr | F-43m | 216 | cubic | -43m | 6,158.791252 | false |
[CIF]
data_MnGaH4O2F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21171539
_cell_length_b 7.21171539
_cell_length_c 7.21171539
_cell_angle_alpha 117.36136152
_cell_angle_beta 86.84810097
_cell_angle_gamma 126.53989083
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnGaH4O2F5
_chemical_formula_sum 'Mn2 Ga2 H8 O4 F10'
_cell_volume 254.76117191
_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
F F0 1 5.83209339 1.29416638 0.29962224 1
F F1 1 1.66530967 6.53193571 -0.29962224 1
F F2 1 -0.00000000 2.61888466 1.98421395 1
F F3 1 2.08339186 3.94360295 2.94411760 1
F F4 1 1.66530967 3.94360295 0.29962224 1
F F5 1 2.08339186 1.29416638 2.94411760 1
F F6 1 1.66530967 1.29416638 0.29962224 1
F F7 1 3.74870153 2.61888467 1.25952589 1
F F8 1 2.08339186 -1.29416638 3.54336208 1
F F9 1 -2.08339186 3.94360295 2.94411760 1
Ga Ga10 1 1.87435077 2.61888467 1.62186992 1
Ga Ga11 1 -1.87435076 2.61888466 1.62186992 1
H H12 1 2.95796692 -1.03188351 0.75198200 1
H H13 1 4.53943614 -1.03188351 0.75198200 1
H H14 1 2.95796692 6.26965284 0.75198200 1
H H15 1 0.79073461 1.03188351 3.99572184 1
H H16 1 2.95796692 4.20588582 -0.75198200 1
H H17 1 0.79073461 -1.03188351 2.49175784 1
H H18 1 -0.79073461 6.26965284 2.49175784 1
H H19 1 0.79073461 6.26965284 2.49175784 1
Mn Mn20 1 0.00000000 5.23776933 0.00000000 1
Mn Mn21 1 0.00000000 0.00000000 0.00000000 1
O O22 1 3.74870153 -0.86549822 1.31865550 1
O O23 1 -0.00000000 0.86549822 4.56239534 1
O O24 1 3.74870153 4.37227111 -1.31865550 1
O O25 1 0.00000000 6.10326755 1.92508434 1
[/CIF]
| F10Ga2H8Mn2O4 | Imma | 74 | orthorhombic | mmm | 3,333.103221 | false |
[CIF]
data_AlCu2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41258579
_cell_length_b 4.41258579
_cell_length_c 4.41258579
_cell_angle_alpha 128.24947776
_cell_angle_beta 128.24947776
_cell_angle_gamma 76.22123124
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCu2Rh
_chemical_formula_sum 'Al1 Cu2 Rh1'
_cell_volume 51.50048098
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Cu Cu1 1 1.92571131 0.00000000 1.73595689 1
Cu Cu2 1 -0.00000000 0.00000000 3.47191378 1
Rh Rh3 1 0.00000000 1.92571131 1.73595689 1
[/CIF]
| AlCu2Rh | I-4m2 | 119 | tetragonal | -42m | 8,285.820342 | false |
[CIF]
data_KMnNiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40285280
_cell_length_b 4.40285280
_cell_length_c 4.40285280
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMnNiRu
_chemical_formula_sum 'K1 Mn1 Ni1 Ru1'
_cell_volume 60.35142091
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Mn Mn1 1 4.66993061 4.66993061 4.66993061 1
Ni Ni2 1 3.11328707 3.11328707 3.11328707 1
Ru Ru3 1 1.55664354 1.55664354 1.55664354 1
[/CIF]
| KMnNiRu | F-43m | 216 | cubic | -43m | 6,983.172647 | false |
[CIF]
data_Mg2FeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76127357
_cell_length_b 2.76127357
_cell_length_c 7.76470246
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2FeCo
_chemical_formula_sum 'Mg2 Fe1 Co1'
_cell_volume 59.20299674
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.38063679 1.38063679 4.19222894 1
Fe Fe1 1 0.00000000 0.00000000 5.50058456 1
Mg Mg2 1 1.38063679 1.38063679 7.39042354 1
Mg Mg3 1 0.00000000 0.00000000 2.32851904 1
[/CIF]
| CoFeMg2 | P4mm | 99 | tetragonal | 4mm | 4,582.749114 | false |
[CIF]
data_LiGeAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57828565
_cell_length_b 4.57828565
_cell_length_c 4.57828565
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiGeAu2
_chemical_formula_sum 'Li1 Ge1 Au2'
_cell_volume 67.85684448
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.85600525 4.85600525 4.85600525 1
Au Au1 1 1.61866842 1.61866842 1.61866842 1
Ge Ge2 1 3.23733683 3.23733683 3.23733683 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au2GeLi | Fm-3m | 225 | cubic | m-3m | 11,587.463737 | false |
[CIF]
data_TlGaBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42183322
_cell_length_b 3.42183322
_cell_length_c 10.16297836
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.45228733
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlGaBi2
_chemical_formula_sum 'Tl1 Ga1 Bi2'
_cell_volume 118.95950499
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.38874292 0.00000000 7.95446468 1
Bi Bi1 1 2.38874292 0.00000000 2.20851368 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 0.00000000 0.00000000 5.08148918 1
[/CIF]
| Bi2GaTl | Cmmm | 65 | orthorhombic | mmm | 9,660.467706 | false |
[CIF]
data_CsTcPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16214431
_cell_length_b 5.16214431
_cell_length_c 5.16214431
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsTcPt3
_chemical_formula_sum 'Cs1 Tc1 Pt3'
_cell_volume 137.55944781
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs Cs0 1 2.58107215 2.58107215 2.58107215 1
Tc Tc1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 2.58107215 0.00000000 2.58107215 1
Pt Pt3 1 2.58107215 2.58107215 0.00000000 1
Pt Pt4 1 0.00000000 2.58107215 2.58107215 1
[/CIF]
| CsPt3Tc | Pm-3m | 221 | cubic | m-3m | 9,863.125619 | false |
[CIF]
data_SiNiBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36854944
_cell_length_b 4.36854944
_cell_length_c 4.36854944
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiNiBr
_chemical_formula_sum 'Si1 Ni1 Br1'
_cell_volume 58.95175875
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 4.63354640 4.63354639 4.63354639 1
Ni Ni1 1 3.08903093 3.08903093 3.08903093 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BrNiSi | F-43m | 216 | cubic | -43m | 4,695.084134 | false |
[CIF]
data_Be2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24118074
_cell_length_b 4.95411090
_cell_length_c 2.25672480
_cell_angle_alpha 84.44098842
_cell_angle_beta 70.18339681
_cell_angle_gamma 25.37561477
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2As
_chemical_formula_sum 'Be2 As1'
_cell_volume 20.18715408
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Be Be1 1 1.04068392 2.00244446 3.10412056 1
Be Be2 1 1.04068392 2.00244446 6.58302386 1
[/CIF]
| AsBe2 | Fmmm | 69 | orthorhombic | mmm | 7,645.476112 | false |
[CIF]
data_BaTcIrOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78046360
_cell_length_b 4.78046360
_cell_length_c 4.78046360
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTcIrOs
_chemical_formula_sum 'Ba1 Tc1 Ir1 Os1'
_cell_volume 77.24938840
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 3.38029823 3.38029823 3.38029823 1
Ir Ir1 1 1.69014911 1.69014911 1.69014911 1
Os Os2 1 5.07044734 5.07044734 5.07044734 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaIrOsTc | F-43m | 216 | cubic | -43m | 13,299.039166 | false |
[CIF]
data_TaVCdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63456156
_cell_length_b 4.63456156
_cell_length_c 4.63456156
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaVCdAu
_chemical_formula_sum 'Ta1 V1 Cd1 Au1'
_cell_volume 70.39000061
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.63856496 1.63856496 1.63856496 1
Cd Cd1 1 4.91569487 4.91569487 4.91569486 1
Ta Ta2 1 3.27712991 3.27712991 3.27712991 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuCdTaV | F-43m | 216 | cubic | -43m | 12,768.786852 | false |
[CIF]
data_KHg2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88634892
_cell_length_b 3.88634892
_cell_length_c 8.62651579
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHg2Pb
_chemical_formula_sum 'K1 Hg2 Pb1'
_cell_volume 130.29237493
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 8.61230447 1
Hg Hg1 1 1.94317446 1.94317446 1.87806831 1
K K2 1 0.00000000 0.00000000 4.12839874 1
Pb Pb3 1 1.94317446 1.94317446 6.94751787 1
[/CIF]
| Hg2KPb | P4mm | 99 | tetragonal | 4mm | 8,251.925813 | false |
[CIF]
data_Sn3P2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88516359
_cell_length_b 4.88516359
_cell_length_c 6.03701321
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn3P2
_chemical_formula_sum 'Sn3 P2'
_cell_volume 124.77023163
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.44258180 1.41022526 1.39153112 1
P P1 1 -0.00000000 2.82045051 4.64548209 1
Sn Sn2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 2.44258180 1.41022526 4.18298204 1
Sn Sn4 1 -0.00000000 2.82045051 1.85403117 1
[/CIF]
| P2Sn3 | P-3m1 | 164 | trigonal | -3m | 5,564.100119 | false |
[CIF]
data_ZnSiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39256958
_cell_length_b 4.39256958
_cell_length_c 4.39256958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnSiP2
_chemical_formula_sum 'Zn1 Si1 P2'
_cell_volume 59.92954112
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 1.55300787 1.55300787 1.55300787 1
P P1 1 4.65902361 4.65902361 4.65902361 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 3.10601574 3.10601574 3.10601574 1
[/CIF]
| P2SiZn | Fm-3m | 225 | cubic | m-3m | 4,306.21348 | false |
[CIF]
data_BaBeIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06860263
_cell_length_b 4.06860263
_cell_length_c 8.42874807
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.59468075
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaBeIn2
_chemical_formula_sum 'Ba1 Be1 In2'
_cell_volume 131.44539265
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.21437403 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
In In2 1 2.34542836 -0.00000000 2.08289882 1
In In3 1 2.34542836 -0.00000000 6.34584925 1
[/CIF]
| BaBeIn2 | Cmmm | 65 | orthorhombic | mmm | 4,749.664216 | false |
[CIF]
data_Al3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64348546
_cell_length_b 4.64348546
_cell_length_c 4.64348546
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al3Ge
_chemical_formula_sum 'Al3 Ge1'
_cell_volume 70.79739422
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.92516009 4.92516009 4.92516009 1
Al Al1 1 0.00000000 0.00000000 0.00000000 1
Al Al2 1 1.64172003 1.64172003 1.64172003 1
Ge Ge3 1 3.28344006 3.28344006 3.28344006 1
[/CIF]
| Al3Ge | Fm-3m | 225 | cubic | m-3m | 3,602.297194 | false |
[CIF]
data_LaZnTcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72432450
_cell_length_b 4.72432450
_cell_length_c 4.72432450
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaZnTcOs
_chemical_formula_sum 'La1 Zn1 Tc1 Os1'
_cell_volume 74.55970192
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 5.01090283 5.01090283 5.01090283 1
Os Os1 1 3.34060189 3.34060189 3.34060189 1
Tc Tc2 1 1.67030094 1.67030095 1.67030094 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaOsTcZn | F-43m | 216 | cubic | -43m | 10,989.126005 | false |
[CIF]
data_TaNbPdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54980411
_cell_length_b 4.54980411
_cell_length_c 4.54980411
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaNbPdPt
_chemical_formula_sum 'Ta1 Nb1 Pd1 Pt1'
_cell_volume 66.59829311
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.82579601 4.82579601 4.82579601 1
Pt Pt2 1 3.21719734 3.21719734 3.21719734 1
Ta Ta3 1 1.60859867 1.60859867 1.60859867 1
[/CIF]
| NbPdPtTa | F-43m | 216 | cubic | -43m | 14,345.786106 | false |
[CIF]
data_TiNbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70307330
_cell_length_b 4.70307330
_cell_length_c 2.88766979
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.06246897
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiNbRh2
_chemical_formula_sum 'Ti1 Nb1 Rh2'
_cell_volume 61.95791721
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.89348027 0.00000000 0.00000000 1
Rh Rh1 1 1.44674014 -1.85382513 1.44383490 1
Rh Rh2 1 1.44674014 1.85382513 1.44383490 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NbRh2Ti | Cmmm | 65 | orthorhombic | mmm | 9,288.835532 | false |
[CIF]
data_Si2GeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56033895
_cell_length_b 5.56033895
_cell_length_c 5.56033895
_cell_angle_alpha 144.60335916
_cell_angle_beta 144.60335916
_cell_angle_gamma 50.92600521
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2GeB
_chemical_formula_sum 'Si2 Ge1 B1'
_cell_volume 57.37828007
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ge Ge1 1 0.00000000 -0.00000000 5.02022480 1
Si Si2 1 -0.00000000 1.69037159 2.51011240 1
Si Si3 1 1.69037159 0.00000000 2.51011240 1
[/CIF]
| BGeSi2 | I4/mmm | 139 | tetragonal | 4/mmm | 4,040.689008 | false |
[CIF]
data_ZrTlAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90893332
_cell_length_b 3.90893332
_cell_length_c 6.66002614
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTlAs2
_chemical_formula_sum 'Zr1 Tl1 As2'
_cell_volume 101.76359902
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.95446666 1.95446666 5.73508098 1
As As1 1 0.00000000 0.00000000 2.05428446 1
Tl Tl2 1 1.95446666 1.95446666 2.73708160 1
Zr Zr3 1 0.00000000 0.00000000 6.12361838 1
[/CIF]
| As2TlZr | P4mm | 99 | tetragonal | 4mm | 7,268.689046 | false |
[CIF]
data_Ga2SnSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03692219
_cell_length_b 5.03692219
_cell_length_c 5.03692219
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2SnSe
_chemical_formula_sum 'Ga2 Sn1 Se1'
_cell_volume 90.36093773
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ga Ga1 1 1.78082092 1.78082092 1.78082092 1
Se Se2 1 3.56164184 3.56164184 3.56164184 1
Sn Sn3 1 5.34246276 5.34246276 5.34246276 1
[/CIF]
| Ga2SeSn | F-43m | 216 | cubic | -43m | 6,195.091619 | false |
[CIF]
data_CaTlFeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79759302
_cell_length_b 4.79759302
_cell_length_c 4.79759302
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTlFeRh
_chemical_formula_sum 'Ca1 Tl1 Fe1 Rh1'
_cell_volume 78.08277060
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Fe Fe1 1 3.39241056 3.39241056 3.39241056 1
Rh Rh2 1 1.69620528 1.69620528 1.69620528 1
Tl Tl3 1 5.08861584 5.08861584 5.08861584 1
[/CIF]
| CaFeRhTl | F-43m | 216 | cubic | -43m | 8,574.861533 | false |
[CIF]
data_ZrTi2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97779711
_cell_length_b 2.97779711
_cell_length_c 10.40305730
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTi2Al
_chemical_formula_sum 'Zr1 Ti2 Al1'
_cell_volume 79.88805206
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ti Ti1 1 0.00000000 0.00000000 2.70964907 1
Ti Ti2 1 0.00000000 0.00000000 7.69340823 1
Zr Zr3 1 -0.00000001 1.71923197 5.20152865 1
[/CIF]
| AlTi2Zr | P-6m2 | 187 | hexagonal | -6m2 | 4,447.091823 | false |
[CIF]
data_ScP2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38559001
_cell_length_b 4.38559001
_cell_length_c 3.04182083
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScP2Ru
_chemical_formula_sum 'Sc1 P2 Ru1'
_cell_volume 58.50455589
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00000000 2.19279500 1.52091041 1
P P1 1 2.19279500 0.00000000 1.52091041 1
Ru Ru2 1 2.19279500 2.19279500 0.00000000 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| P2RuSc | P4/mmm | 123 | tetragonal | 4/mmm | 5,902.988204 | false |
[CIF]
data_CoBPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94183130
_cell_length_b 4.94183130
_cell_length_c 4.94183130
_cell_angle_alpha 149.22977012
_cell_angle_beta 149.22977012
_cell_angle_gamma 44.07320560
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoBPd
_chemical_formula_sum 'Co1 B1 Pd1'
_cell_volume 31.49708594
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 8.92130612 1
Co Co1 1 -0.00000000 0.00000000 3.42582433 1
Pd Pd2 1 -0.00000000 0.00000000 5.97608000 1
[/CIF]
| BCoPd | I4mm | 107 | tetragonal | 4mm | 9,287.447616 | false |
[CIF]
data_TaTl4Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88770530
_cell_length_b 5.88770530
_cell_length_c 5.88770530
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaTl4Ru
_chemical_formula_sum 'Ta1 Tl4 Ru1'
_cell_volume 144.31889433
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ru Ru0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 6.24485451 6.24485451 6.24485451 1
Tl Tl2 1 5.20426855 5.20426855 3.12220413 1
Tl Tl3 1 3.12220413 3.12220413 3.12220413 1
Tl Tl4 1 3.12220413 5.20426855 5.20426855 1
Tl Tl5 1 5.20426855 3.12220413 5.20426855 1
[/CIF]
| RuTaTl4 | F-43m | 216 | cubic | -43m | 12,651.479438 | false |
[CIF]
data_KLiSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72210874
_cell_length_b 4.72210874
_cell_length_c 4.72210874
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KLiSe
_chemical_formula_sum 'K1 Li1 Se1'
_cell_volume 74.45484309
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 1.66951755 1.66951755 1.66951756 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 5.00855266 5.00855266 5.00855267 1
[/CIF]
| KLiSe | F-43m | 216 | cubic | -43m | 2,787.813557 | false |
[CIF]
data_GdAl2Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07561955
_cell_length_b 5.07561955
_cell_length_c 5.07561955
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdAl2Tl
_chemical_formula_sum 'Gd1 Al2 Tl1'
_cell_volume 92.45963737
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.79450250 1.79450250 1.79450250 1
Al Al1 1 5.38350750 5.38350750 5.38350750 1
Gd Gd2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 3.58900500 3.58900500 3.58900500 1
[/CIF]
| Al2GdTl | Fm-3m | 225 | cubic | m-3m | 7,463.949026 | false |
[CIF]
data_TiReAgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45678539
_cell_length_b 4.45678539
_cell_length_c 4.45678539
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiReAgIr
_chemical_formula_sum 'Ti1 Re1 Ag1 Ir1'
_cell_volume 62.59651671
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.72713475 4.72713475 4.72713475 1
Ir Ir1 1 3.15142317 3.15142317 3.15142317 1
Re Re2 1 1.57571158 1.57571158 1.57571158 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgIrReTi | F-43m | 216 | cubic | -43m | 14,169.993252 | false |
[CIF]
data_MgInHgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80133662
_cell_length_b 4.80133662
_cell_length_c 4.80133662
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgInHgPd
_chemical_formula_sum 'Mg1 In1 Hg1 Pd1'
_cell_volume 78.26569874
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.09258652 5.09258652 5.09258652 1
In In1 1 1.69752884 1.69752884 1.69752884 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 3.39505768 3.39505768 3.39505768 1
[/CIF]
| HgInMgPd | F-43m | 216 | cubic | -43m | 9,465.465552 | false |
[CIF]
data_ZrTaNiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54192095
_cell_length_b 4.54192095
_cell_length_c 4.54192095
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTaNiW
_chemical_formula_sum 'Zr1 Ta1 Ni1 W1'
_cell_volume 66.25272026
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ta Ta1 1 4.81743465 4.81743465 4.81743465 1
W W2 1 1.60581155 1.60581155 1.60581155 1
Zr Zr3 1 3.21162310 3.21162310 3.21162310 1
[/CIF]
| NiTaWZr | F-43m | 216 | cubic | -43m | 12,900.424645 | false |
[CIF]
data_LiYMnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81108809
_cell_length_b 4.81108809
_cell_length_c 4.81108809
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiYMnAu
_chemical_formula_sum 'Li1 Y1 Mn1 Au1'
_cell_volume 78.74353860
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.40195301 3.40195301 3.40195301 1
Li Li1 1 -0.00000000 -0.00000000 0.00000000 1
Mn Mn2 1 5.10292952 5.10292952 5.10292952 1
Y Y3 1 1.70097650 1.70097650 1.70097651 1
[/CIF]
| AuLiMnY | F-43m | 216 | cubic | -43m | 7,333.362225 | false |
[CIF]
data_Mn2ZnBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62832931
_cell_length_b 4.62832931
_cell_length_c 4.62832931
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2ZnBi
_chemical_formula_sum 'Mn2 Zn1 Bi1'
_cell_volume 70.10641469
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.27272304 3.27272304 3.27272304 1
Mn Mn1 1 4.90908456 4.90908456 4.90908456 1
Mn Mn2 1 1.63636152 1.63636152 1.63636152 1
Zn Zn3 1 0.00000000 -0.00000000 0.00000000 1
[/CIF]
| BiMn2Zn | Fm-3m | 225 | cubic | m-3m | 9,101.017436 | false |
[CIF]
data_SrLi2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79281695
_cell_length_b 3.79281695
_cell_length_c 6.31840008
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrLi2P
_chemical_formula_sum 'Sr1 Li2 P1'
_cell_volume 90.89309447
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 1.89640848 1.89640848 5.21256008 1
Li Li1 1 1.89640848 1.89640848 1.10584000 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 0.00000000 0.00000000 3.15920004 1
[/CIF]
| Li2PSr | P4/mmm | 123 | tetragonal | 4/mmm | 2,420.239394 | false |
[CIF]
data_Ti2NbCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26053461
_cell_length_b 5.26053461
_cell_length_c 4.51113049
_cell_angle_alpha 110.89224020
_cell_angle_beta 110.89224020
_cell_angle_gamma 33.90803135
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2NbCu
_chemical_formula_sum 'Ti2 Nb1 Cu1'
_cell_volume 64.62126771
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.22884793 0.00000000 1.91787903 1
Nb Nb1 1 1.09915918 -0.00000000 3.21213044 1
Ti Ti2 1 -1.64268605 0.00000000 4.10378364 1
Ti Ti3 1 7.20586495 0.00000000 1.23096915 1
[/CIF]
| CuNbTi2 | Cm | 8 | monoclinic | m | 6,480.302087 | false |
[CIF]
data_BeCo2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81394061
_cell_length_b 3.81394061
_cell_length_c 3.41712076
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCo2Te
_chemical_formula_sum 'Be1 Co2 Te1'
_cell_volume 49.70592714
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Co Co1 1 0.00000000 1.90697030 1.70856038 1
Co Co2 1 1.90697030 0.00000000 1.70856038 1
Te Te3 1 1.90697030 1.90697030 0.00000000 1
[/CIF]
| BeCo2Te | P4/mmm | 123 | tetragonal | 4/mmm | 8,501.433022 | false |
[CIF]
data_Nb2RhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60734275
_cell_length_b 4.60734275
_cell_length_c 4.60734275
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2RhAu
_chemical_formula_sum 'Nb2 Rh1 Au1'
_cell_volume 69.15706697
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.25788330 3.25788330 3.25788330 1
Nb Nb1 1 4.88682495 4.88682495 4.88682495 1
Nb Nb2 1 1.62894165 1.62894165 1.62894165 1
Rh Rh3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| AuNb2Rh | Fm-3m | 225 | cubic | m-3m | 11,661.83975 | false |
[CIF]
data_Y2MoBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56486332
_cell_length_b 3.50481724
_cell_length_c 8.34438939
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.34731918
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2MoBr
_chemical_formula_sum 'Y2 Mo1 Br1'
_cell_volume 103.15195487
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Mo Mo1 1 1.17674007 0.00000000 4.12799543 1
Y Y2 1 -0.58207257 1.75240862 5.82277252 1
Y Y3 1 2.93555271 1.75240862 2.43321834 1
[/CIF]
| BrMoY2 | P2/m | 10 | monoclinic | 2/m | 5,693.467637 | false |
[CIF]
data_KVFeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53517448
_cell_length_b 4.53517448
_cell_length_c 4.53517448
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KVFeW
_chemical_formula_sum 'K1 V1 Fe1 W1'
_cell_volume 65.95792783
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.60342631 1.60342631 1.60342632 1
K K1 1 -0.00000000 -0.00000000 0.00000000 1
V V2 1 4.81027895 4.81027895 4.81027895 1
W W3 1 3.20685263 3.20685263 3.20685263 1
[/CIF]
| FeKVW | F-43m | 216 | cubic | -43m | 8,301.062959 | false |
[CIF]
data_NaScCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27295617
_cell_length_b 3.99276994
_cell_length_c 5.92046899
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.99239929
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaScCo2
_chemical_formula_sum 'Na1 Sc1 Co2'
_cell_volume 74.73599106
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.63866893 0.00000000 0.04320125 1
Co Co1 1 0.59991736 1.99638497 1.10436971 1
Na Na2 1 2.27730481 0.00000000 2.56108719 1
Sc Sc3 1 0.73266402 1.99638497 4.86974759 1
[/CIF]
| Co2NaSc | Pm | 6 | monoclinic | m | 4,128.508889 | false |
[CIF]
data_ZnHgAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07086210
_cell_length_b 3.07086210
_cell_length_c 9.47047817
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.73228491
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnHgAs2
_chemical_formula_sum 'Zn1 Hg1 As2'
_cell_volume 82.96076673
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.72314738 0.00000000 9.47031054 1
As As1 1 0.00000000 0.00000000 7.39780919 1
Hg Hg2 1 1.72314738 0.00000000 4.60337120 1
Zn Zn3 1 0.00000000 0.00000000 2.20470449 1
[/CIF]
| As2HgZn | Cmm2 | 35 | orthorhombic | mm2 | 8,322.898765 | false |
[CIF]
data_BeMoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42761391
_cell_length_b 4.42761391
_cell_length_c 4.42761391
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeMoSe2
_chemical_formula_sum 'Be1 Mo1 Se2'
_cell_volume 61.37538519
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Mo Mo1 1 3.13079582 3.13079582 3.13079582 1
Se Se2 1 4.69619373 4.69619373 4.69619373 1
Se Se3 1 1.56539791 1.56539791 1.56539791 1
[/CIF]
| BeMoSe2 | Fm-3m | 225 | cubic | m-3m | 7,112.680065 | false |
[CIF]
data_InPbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51118488
_cell_length_b 6.51118488
_cell_length_c 6.51118488
_cell_angle_alpha 148.43308581
_cell_angle_beta 148.43308581
_cell_angle_gamma 45.24644867
_symmetry_Int_Tables_number 1
_chemical_formula_structural InPbAu
_chemical_formula_sum 'In1 Pb1 Au1'
_cell_volume 75.40721113
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 11.88082760 1
In In1 1 0.00000000 -0.00000000 4.30330067 1
Pb Pb2 1 0.00000000 0.00000000 7.85658237 1
[/CIF]
| AuInPb | I4mm | 107 | tetragonal | 4mm | 11,428.602287 | false |
[CIF]
data_YZrGaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84487618
_cell_length_b 4.84487618
_cell_length_c 4.84487618
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YZrGaCu
_chemical_formula_sum 'Y1 Zr1 Ga1 Cu1'
_cell_volume 80.41425611
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y Y0 1 5.13876720 5.13876720 5.13876720 1
Zr Zr1 1 1.71292240 1.71292240 1.71292240 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Ga Ga3 1 3.42584480 3.42584480 3.42584480 1
[/CIF]
| CuGaYZr | F-43m | 216 | cubic | -43m | 6,471.626538 | false |
[CIF]
data_Tl2GaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26147534
_cell_length_b 3.26147534
_cell_length_c 10.04794321
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.90309491
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2GaGe
_chemical_formula_sum 'Tl2 Ga1 Ge1'
_cell_volume 104.18332823
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ge Ge1 1 0.00000000 0.00000000 5.02397160 1
Tl Tl2 1 2.03247391 0.00000000 7.51380561 1
Tl Tl3 1 2.03247391 0.00000000 2.53413760 1
[/CIF]
| GaGeTl2 | Cmmm | 65 | orthorhombic | mmm | 8,784.248373 | false |
[CIF]
data_Mg2FeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42141496
_cell_length_b 4.42141496
_cell_length_c 4.42141496
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2FeIr
_chemical_formula_sum 'Mg2 Fe1 Ir1'
_cell_volume 61.11795734
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 3.12641250 3.12641250 3.12641250 1
Mg Mg2 1 4.68961875 4.68961875 4.68961875 1
Mg Mg3 1 1.56320625 1.56320625 1.56320625 1
[/CIF]
| FeIrMg2 | Fm-3m | 225 | cubic | m-3m | 8,060.404297 | false |
[CIF]
data_TiVBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90522876
_cell_length_b 4.90522876
_cell_length_c 3.46394880
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiVBi2
_chemical_formula_sum 'Ti1 V1 Bi2'
_cell_volume 83.34700453
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.45261438 0.00000000 1.73197440 1
Bi Bi1 1 0.00000000 2.45261438 1.73197440 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
V V3 1 2.45261438 2.45261438 0.00000000 1
[/CIF]
| Bi2TiV | P4/mmm | 123 | tetragonal | 4/mmm | 10,295.698279 | false |
[CIF]
data_GaPBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41467895
_cell_length_b 3.41467895
_cell_length_c 7.75007044
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaPBr2
_chemical_formula_sum 'Ga1 P1 Br2'
_cell_volume 90.36607164
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.70733947 1.70733947 1.85116958 1
Br Br1 1 1.70733947 1.70733947 5.89890086 1
Ga Ga2 1 0.00000000 0.00000000 3.87503522 1
P P3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Br2GaP | P4/mmm | 123 | tetragonal | 4/mmm | 4,786.988297 | false |
[CIF]
data_MnCuGeMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26790888
_cell_length_b 4.26790888
_cell_length_c 4.26790888
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCuGeMo
_chemical_formula_sum 'Mn1 Cu1 Ge1 Mo1'
_cell_volume 54.97059259
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 3.01786731 3.01786731 3.01786731 1
Mo Mo1 1 1.50893366 1.50893366 1.50893366 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Cu Cu3 1 4.52680097 4.52680097 4.52680097 1
[/CIF]
| CuGeMnMo | F-43m | 216 | cubic | -43m | 8,672.169057 | false |
[CIF]
data_NaReCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57195433
_cell_length_b 7.57195433
_cell_length_c 7.57195433
_cell_angle_alpha 151.94112131
_cell_angle_beta 151.94112131
_cell_angle_gamma 40.09929112
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaReCl2
_chemical_formula_sum 'Na1 Re1 Cl2'
_cell_volume 95.86741050
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 7.11306297 1
Cl Cl1 1 -0.00000000 1.83559631 3.55653149 1
Na Na2 1 -0.00000000 0.00000000 0.00000000 1
Re Re3 1 1.83559631 0.00000000 3.55653149 1
[/CIF]
| Cl2NaRe | I-4m2 | 119 | tetragonal | -42m | 4,851.717477 | false |
[CIF]
data_CoBAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97754537
_cell_length_b 6.97754537
_cell_length_c 6.97754537
_cell_angle_alpha 26.01509381
_cell_angle_beta 26.01509381
_cell_angle_gamma 26.01509381
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoBAu2
_chemical_formula_sum 'Co1 B1 Au2'
_cell_volume 57.56830379
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 5.36678329 1
Au Au1 1 0.00000000 0.00000000 14.84651798 1
B B2 1 0.00000000 -0.00000000 -0.00000000 1
Co Co3 1 0.00000000 0.00000000 10.10665064 1
[/CIF]
| Au2BCo | R-3m | 166 | trigonal | -3m | 13,374.622405 | false |
[CIF]
data_AlMoBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21100714
_cell_length_b 5.21100714
_cell_length_c 5.21100714
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlMoBr3
_chemical_formula_sum 'Al1 Mo1 Br3'
_cell_volume 141.50279058
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.60550357 2.60550357 2.60550357 1
Al Al1 1 0.00000000 0.00000000 0.00000000 1
Br Br2 1 0.00000000 2.60550357 0.00000000 1
Br Br3 1 0.00000000 0.00000000 2.60550357 1
Br Br4 1 2.60550357 0.00000000 0.00000000 1
[/CIF]
| AlBr3Mo | Pm-3m | 221 | cubic | m-3m | 4,255.749063 | false |
[CIF]
data_KMn2Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07498460
_cell_length_b 5.07498460
_cell_length_c 5.07498460
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMn2Tl
_chemical_formula_sum 'K1 Mn2 Tl1'
_cell_volume 92.42494211
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Mn Mn1 1 5.38283403 5.38283403 5.38283403 1
Mn Mn2 1 1.79427801 1.79427801 1.79427801 1
Tl Tl3 1 3.58855602 3.58855602 3.58855602 1
[/CIF]
| KMn2Tl | Fm-3m | 225 | cubic | m-3m | 6,348.548729 | false |
[CIF]
data_MgReSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35358529
_cell_length_b 4.35358529
_cell_length_c 4.35358529
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgReSi2
_chemical_formula_sum 'Mg1 Re1 Si2'
_cell_volume 58.34802668
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Re Re1 1 1.53922484 1.53922484 1.53922484 1
Si Si2 1 3.07844968 3.07844968 3.07844968 1
Si Si3 1 4.61767452 4.61767452 4.61767452 1
[/CIF]
| MgReSi2 | F-43m | 216 | cubic | -43m | 7,589.588974 | false |
[CIF]
data_Fe2CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36771937
_cell_length_b 4.36771937
_cell_length_c 4.35365991
_cell_angle_alpha 99.73190029
_cell_angle_beta 99.73190029
_cell_angle_gamma 34.14375386
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2CoIr
_chemical_formula_sum 'Fe2 Co1 Ir1'
_cell_volume 45.88157804
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Fe Fe1 1 1.50910463 -0.00000000 3.26417751 1
Fe Fe2 1 6.07156978 0.00000000 1.02087503 1
Ir Ir3 1 3.79033720 0.00000000 2.14252627 1
[/CIF]
| CoFe2Ir | C2/m | 12 | monoclinic | 2/m | 13,131.856933 | false |
[CIF]
data_Th2MnNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90351117
_cell_length_b 4.90351117
_cell_length_c 4.90351117
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th2MnNi
_chemical_formula_sum 'Th2 Mn1 Ni1'
_cell_volume 83.36936796
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ni Ni1 1 3.46730600 3.46730600 3.46730600 1
Th Th2 1 5.20095900 5.20095900 5.20095900 1
Th Th3 1 1.73365300 1.73365300 1.73365300 1
[/CIF]
| MnNiTh2 | Fm-3m | 225 | cubic | m-3m | 11,506.696095 | false |
[CIF]
data_HfAlNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28136242
_cell_length_b 3.28136242
_cell_length_c 5.46801587
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfAlNi2
_chemical_formula_sum 'Hf1 Al1 Ni2'
_cell_volume 58.87598234
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.42025685 1
Hf Hf1 1 1.64068121 1.64068121 4.31518036 1
Ni Ni2 1 0.00000000 0.00000000 5.41240577 1
Ni Ni3 1 1.64068121 1.64068121 1.52219665 1
[/CIF]
| AlHfNi2 | P4mm | 99 | tetragonal | 4mm | 9,105.901301 | false |
[CIF]
data_TaFe2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88010251
_cell_length_b 2.88010251
_cell_length_c 8.10682901
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.09141243
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaFe2Sn
_chemical_formula_sum 'Ta1 Fe2 Sn1'
_cell_volume 64.61141588
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.73145352 0.00000000 6.02409384 1
Fe Fe1 1 1.73145352 0.00000000 2.08273517 1
Sn Sn2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 0.00000000 0.00000000 4.05341450 1
[/CIF]
| Fe2SnTa | Cmmm | 65 | orthorhombic | mmm | 10,571.803997 | false |
[CIF]
data_YAl2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17050801
_cell_length_b 4.39079267
_cell_length_c 5.52041995
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.02247178
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YAl2Ru
_chemical_formula_sum 'Y1 Al2 Ru1'
_cell_volume 74.55993436
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.66427972 2.19539633 1.56146880 1
Al Al1 1 0.16861710 2.19539633 3.79444688 1
Ru Ru2 1 0.91644841 0.00000000 2.67795784 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2RuY | P2/m | 10 | monoclinic | 2/m | 5,432.812166 | false |
[CIF]
data_NpTi2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49509421
_cell_length_b 4.49509421
_cell_length_c 4.49509421
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpTi2Cu
_chemical_formula_sum 'Np1 Ti2 Cu1'
_cell_volume 64.22459855
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Np Np1 1 3.17851160 3.17851160 3.17851160 1
Ti Ti2 1 4.76776740 4.76776740 4.76776740 1
Ti Ti3 1 1.58925580 1.58925580 1.58925580 1
[/CIF]
| CuNpTi2 | Fm-3m | 225 | cubic | m-3m | 10,245.893882 | false |
[CIF]
data_TaAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94571516
_cell_length_b 5.94571516
_cell_length_c 4.64247494
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaAg3
_chemical_formula_sum 'Ta2 Ag6'
_cell_volume 142.13086499
_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 1.73114522 3.48185620 1
Ag Ag1 1 2.97285758 3.41799516 1.16061873 1
Ag Ag2 1 1.47364185 4.28356776 3.48185620 1
Ag Ag3 1 1.49921573 0.86557261 1.16061873 1
Ag Ag4 1 -1.47364185 4.28356776 3.48185620 1
Ag Ag5 1 4.44649943 0.86557261 1.16061873 1
Ta Ta6 1 2.97285758 1.71638012 3.48185620 1
Ta Ta7 1 -0.00000000 3.43276025 1.16061873 1
[/CIF]
| Ag6Ta2 | P6_3/mmc | 194 | hexagonal | 6/mmm | 11,789.544858 | false |
[CIF]
data_PNClF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15397046
_cell_length_b 8.15397046
_cell_length_c 7.96907300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 75.27805535
_symmetry_Int_Tables_number 1
_chemical_formula_structural PNClF
_chemical_formula_sum 'P6 N6 Cl6 F6'
_cell_volume 512.44718311
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 6.45691600 1.71164509 6.05076572 1
P P1 1 7.83816010 -3.05800863 0.09562888 1
P P2 1 5.07567190 3.05800863 4.08016538 1
P P3 1 7.83816010 3.05800863 4.08016538 1
P P4 1 5.07567190 -3.05800863 0.09562888 1
P P5 1 6.45691600 -1.71164509 2.06622922 1
N N6 1 5.08988357 2.07827608 5.33174017 1
N N7 1 7.82394843 -2.07827608 1.34720367 1
N N8 1 6.45691600 3.53953174 3.45678464 1
N N9 1 7.82394843 2.07827608 5.33174017 1
N N10 1 5.08988357 -2.07827608 1.34720367 1
N N11 1 6.45691600 -3.53953174 7.44132114 1
Cl Cl12 1 6.45691600 2.35855250 7.94140438 1
Cl Cl13 1 10.34776964 -0.35649770 4.43338657 1
Cl Cl14 1 10.34776964 0.35649770 0.44885007 1
Cl Cl15 1 2.56606236 0.35649770 0.44885007 1
Cl Cl16 1 6.45691600 -2.35855250 3.95686788 1
Cl Cl17 1 2.56606236 -0.35649770 4.43338657 1
F F18 1 4.25526261 -2.35345349 6.92760282 1
F F19 1 8.65856939 2.35345349 2.94306632 1
F F20 1 4.25526261 2.35345349 2.94306632 1
F F21 1 6.45691600 -0.16270035 2.32087298 1
F F22 1 6.45691600 0.16270035 6.30540948 1
F F23 1 8.65856939 -2.35345349 6.92760282 1
[/CIF]
| Cl6F6N6P6 | Cmc2_1 | 36 | orthorhombic | mm2 | 1,933.200167 | false |
[CIF]
data_LiHf2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28108624
_cell_length_b 4.49412635
_cell_length_c 5.46169856
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.40186814
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiHf2Se
_chemical_formula_sum 'Li1 Hf2 Se1'
_cell_volume 79.86500001
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.47742683 2.24706318 4.00230453 1
Hf Hf1 1 2.10004009 2.24706318 1.41388150 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Se Se3 1 -0.35180966 0.00000000 2.70809301 1
[/CIF]
| Hf2LiSe | P2/m | 10 | monoclinic | 2/m | 9,208.304041 | false |
[CIF]
data_YB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21967319
_cell_length_b 3.21967319
_cell_length_c 3.21967319
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YB
_chemical_formula_sum 'Y1 B1'
_cell_volume 33.37608364
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Y Y1 1 1.60983660 1.60983660 1.60983660 1
[/CIF]
| BY | Pm-3m | 221 | cubic | m-3m | 4,961.157526 | false |
[CIF]
data_VMoAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30549950
_cell_length_b 4.30549950
_cell_length_c 4.30549950
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VMoAu
_chemical_formula_sum 'V1 Mo1 Au1'
_cell_volume 56.43592275
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.04444789 3.04444789 3.04444789 1
Mo Mo1 1 1.52222394 1.52222394 1.52222394 1
V V2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuMoV | F-43m | 216 | cubic | -43m | 10,117.781981 | false |
[CIF]
data_HfTiAlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51217585
_cell_length_b 4.51217585
_cell_length_c 4.51217585
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTiAlFe
_chemical_formula_sum 'Hf1 Ti1 Al1 Fe1'
_cell_volume 64.95955661
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 3.19059014 3.19059014 3.19059014 1
Hf Hf2 1 1.59529507 1.59529507 1.59529507 1
Ti Ti3 1 4.78588521 4.78588521 4.78588521 1
[/CIF]
| AlFeHfTi | F-43m | 216 | cubic | -43m | 7,903.553709 | false |
[CIF]
data_Li2NiHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85261334
_cell_length_b 3.91417351
_cell_length_c 5.49831544
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2NiHg
_chemical_formula_sum 'Li2 Ni1 Hg1'
_cell_volume 61.39212047
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.42630667 1.95708675 4.06949652 1
Li Li1 1 0.00000000 0.00000000 5.49685487 1
Li Li2 1 1.42630667 1.95708675 1.45476244 1
Ni Ni3 1 0.00000000 0.00000000 2.72467482 1
[/CIF]
| HgLi2Ni | Pmm2 | 25 | orthorhombic | mm2 | 7,388.599952 | false |
[CIF]
data_Si2SbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17282327
_cell_length_b 3.17282327
_cell_length_c 7.62822679
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2SbAu
_chemical_formula_sum 'Si2 Sb1 Au1'
_cell_volume 76.79189068
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.58641164 1.58641164 3.45733276 1
Sb Sb1 1 0.00000000 0.00000000 5.76045065 1
Si Si2 1 1.58641164 1.58641164 0.45033237 1
Si Si3 1 0.00000000 0.00000000 1.77422440 1
[/CIF]
| AuSbSi2 | P4mm | 99 | tetragonal | 4mm | 8,106.74218 | false |
[CIF]
data_CaScGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52202494
_cell_length_b 3.52202494
_cell_length_c 7.41178992
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaScGa
_chemical_formula_sum 'Ca1 Sc1 Ga1'
_cell_volume 79.62300914
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.24332891 1
Ga Ga1 1 1.76101247 1.01672102 2.58650760 1
Sc Sc2 1 -0.00000000 2.03344205 4.58195348 1
[/CIF]
| CaGaSc | P3m1 | 156 | trigonal | 3m | 3,227.457753 | false |
[CIF]
data_ScTl2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09428896
_cell_length_b 5.09428896
_cell_length_c 5.09428896
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTl2P
_chemical_formula_sum 'Sc1 Tl2 P1'
_cell_volume 93.48366472
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00000000 0.00000000 0.00000000 1
Sc Sc1 1 5.40330941 5.40330941 5.40330941 1
Tl Tl2 1 3.60220627 3.60220627 3.60220627 1
Tl Tl3 1 1.80110314 1.80110314 1.80110313 1
[/CIF]
| PScTl2 | F-43m | 216 | cubic | -43m | 8,609.601483 | false |
[CIF]
data_Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97968535
_cell_length_b 2.97968535
_cell_length_c 2.97968535
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Se
_chemical_formula_sum Se1
_cell_volume 20.36523037
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Se Se0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Se | Im-3m | 229 | cubic | m-3m | 6,438.236264 | false |
[CIF]
data_TiMnV
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06254429
_cell_length_b 5.06254429
_cell_length_c 5.06254429
_cell_angle_alpha 146.36016074
_cell_angle_beta 146.36016074
_cell_angle_gamma 48.31211209
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMnV
_chemical_formula_sum 'Ti1 Mn1 V1'
_cell_volume 39.65143302
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 9.15704703 1
Ti Ti1 1 -0.00000000 0.00000000 6.09169098 1
V V2 1 0.00000000 -0.00000000 3.22821710 1
[/CIF]
| MnTiV | I4mm | 107 | tetragonal | 4mm | 6,438.665858 | false |
[CIF]
data_LaAlAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87660386
_cell_length_b 4.87660386
_cell_length_c 4.87660386
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaAlAg
_chemical_formula_sum 'La1 Al1 Ag1'
_cell_volume 82.00445317
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.72413983 1.72413983 1.72413983 1
Al Al1 1 0.00000000 0.00000000 0.00000000 1
La La2 1 3.44827966 3.44827966 3.44827966 1
[/CIF]
| AgAlLa | F-43m | 216 | cubic | -43m | 5,543.372353 | false |
[CIF]
data_InSnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16887126
_cell_length_b 5.16887126
_cell_length_c 3.19403959
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InSnGe
_chemical_formula_sum 'In1 Sn1 Ge1'
_cell_volume 73.90304918
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.05323914 1
In In1 1 0.00000000 2.98424921 0.89694729 1
Sn Sn2 1 2.58443563 1.49212461 2.43789275 1
[/CIF]
| GeInSn | P3m1 | 156 | trigonal | 3m | 6,879.336246 | false |
[CIF]
data_Sc2CdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97607891
_cell_length_b 8.97607891
_cell_length_c 8.97607891
_cell_angle_alpha 22.28408445
_cell_angle_beta 22.28408445
_cell_angle_gamma 22.28408445
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2CdAu
_chemical_formula_sum 'Sc2 Cd1 Au1'
_cell_volume 91.19337753
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 13.12465006 1
Cd Cd1 1 -0.00000000 -0.00000000 -0.00000000 1
Sc Sc2 1 -0.00000000 0.00000000 6.36901678 1
Sc Sc3 1 0.00000000 0.00000000 19.88028333 1
[/CIF]
| AuCdSc2 | R-3m | 166 | trigonal | -3m | 7,270.655538 | false |
[CIF]
data_CaHf2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42254156
_cell_length_b 4.42254156
_cell_length_c 4.51199755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaHf2Ga
_chemical_formula_sum 'Ca1 Hf2 Ga1'
_cell_volume 88.24959089
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 2.21127078 2.21127078 0.00000000 1
Hf Hf2 1 2.21127078 0.00000000 2.25599878 1
Hf Hf3 1 0.00000000 2.21127078 2.25599878 1
[/CIF]
| CaGaHf2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,783.135176 | false |
[CIF]
data_NbHgSbMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72986370
_cell_length_b 4.72986370
_cell_length_c 4.72986370
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbHgSbMo
_chemical_formula_sum 'Nb1 Hg1 Sb1 Mo1'
_cell_volume 74.82227003
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Mo Mo1 1 3.34451870 3.34451870 3.34451870 1
Hg Hg2 1 1.67225935 1.67225935 1.67225935 1
Sb Sb3 1 5.01677805 5.01677805 5.01677805 1
[/CIF]
| HgMoNbSb | F-43m | 216 | cubic | -43m | 11,345.482703 | false |
[CIF]
data_Mg2AlTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81133712
_cell_length_b 3.81133712
_cell_length_c 6.28973116
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2AlTe
_chemical_formula_sum 'Mg2 Al1 Te1'
_cell_volume 91.36646289
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Mg Mg1 1 1.90566856 1.90566856 1.51365009 1
Mg Mg2 1 1.90566856 1.90566856 4.77608107 1
Te Te3 1 0.00000000 0.00000000 3.14486558 1
[/CIF]
| AlMg2Te | P4/mmm | 123 | tetragonal | 4/mmm | 3,692.903032 | false |
[CIF]
data_TePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38246840
_cell_length_b 6.38246840
_cell_length_c 6.38246840
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TePd2
_chemical_formula_sum 'Te4 Pd8'
_cell_volume 259.99561286
_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
Pd Pd0 1 0.81959057 4.01082477 5.56287783 1
Pd Pd1 1 5.56287783 2.37164363 0.81959057 1
Pd Pd2 1 4.01082477 5.56287783 0.81959057 1
Pd Pd3 1 2.37164363 0.81959057 5.56287783 1
Pd Pd4 1 5.56287783 0.81959057 4.01082477 1
Pd Pd5 1 0.81959057 5.56287783 2.37164363 1
Pd Pd6 1 2.37164363 2.37164363 2.37164363 1
Pd Pd7 1 4.01082477 4.01082477 4.01082477 1
Te Te8 1 3.19123420 0.00000000 3.19123420 1
Te Te9 1 0.00000000 3.19123420 3.19123420 1
Te Te10 1 0.00000000 0.00000000 0.00000000 1
Te Te11 1 3.19123420 3.19123420 0.00000000 1
[/CIF]
| Pd8Te4 | Pa-3 | 205 | cubic | m-3 | 8,697.283983 | false |
[CIF]
data_Al2VCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26284624
_cell_length_b 4.26284624
_cell_length_c 4.93698909
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2VCu2
_chemical_formula_sum 'Al2 V1 Cu2'
_cell_volume 77.69483251
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.46115542 0.86777047 1
Al Al1 1 2.13142312 1.23057771 4.06921862 1
Cu Cu2 1 2.13142312 1.23057771 1.63653803 1
Cu Cu3 1 -0.00000000 2.46115542 3.30045106 1
V V4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2Cu2V | P-3m1 | 164 | trigonal | -3m | 4,958.448352 | false |
[CIF]
data_Na2LiGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02748103
_cell_length_b 4.87891264
_cell_length_c 6.61962452
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.28927468
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2LiGa
_chemical_formula_sum 'Na2 Li1 Ga1'
_cell_volume 95.53672914
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 -0.58047843 2.43945632 3.41386879 1
Li Li1 1 0.44751698 0.00000000 4.57949581 1
Na Na2 1 1.49660420 2.43945632 6.36880940 1
Na Na3 1 1.16889320 0.00000000 1.80767277 1
[/CIF]
| GaLiNa2 | Pm | 6 | monoclinic | m | 2,131.686827 | false |
[CIF]
data_Ce(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83614512
_cell_length_b 5.83614512
_cell_length_c 5.83614512
_cell_angle_alpha 139.52750647
_cell_angle_beta 139.52750647
_cell_angle_gamma 58.57142021
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce(CoAs)2
_chemical_formula_sum 'Ce1 Co2 As2'
_cell_volume 82.97182321
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 0.00000000 0.00000000 0.00000000 1
Co Co1 1 -0.00000000 2.01867500 2.54511750 1
Co Co2 1 2.01867500 0.00000000 2.54511750 1
As As3 1 0.00000000 -0.00000000 3.73110153 1
As As4 1 -0.00000000 0.00000000 6.44936847 1
[/CIF]
| As2CeCo2 | I4/mmm | 139 | tetragonal | 4/mmm | 8,161.931344 | false |
[CIF]
data_YBiBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36573932
_cell_length_b 5.36573932
_cell_length_c 5.36573932
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YBiBr
_chemical_formula_sum 'Y1 Bi1 Br1'
_cell_volume 109.23799288
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 5.69122599 5.69122599 5.69122599 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 3.79415066 3.79415066 3.79415066 1
[/CIF]
| BiBrY | F-43m | 216 | cubic | -43m | 5,742.832256 | false |
[CIF]
data_Zr(AlNi4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53309175
_cell_length_b 3.53309175
_cell_length_c 11.09759837
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr(AlNi4)2
_chemical_formula_sum 'Zr1 Al2 Ni8'
_cell_volume 138.52840527
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.79541515 1
Al Al1 1 0.00000000 0.00000000 7.30218322 1
Ni Ni2 1 0.00000000 1.76654588 5.54879919 1
Ni Ni3 1 1.76654588 0.00000000 5.54879919 1
Ni Ni4 1 1.76654588 1.76654588 3.74064063 1
Ni Ni5 1 1.76654588 1.76654588 7.35695774 1
Ni Ni6 1 0.00000000 1.76654588 1.96530921 1
Ni Ni7 1 1.76654588 0.00000000 1.96530921 1
Ni Ni8 1 0.00000000 1.76654588 9.13228916 1
Ni Ni9 1 1.76654588 0.00000000 9.13228916 1
Zr Zr10 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2Ni8Zr | P4/mmm | 123 | tetragonal | 4/mmm | 7,368.815666 | false |
[CIF]
data_BeGa2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10951821
_cell_length_b 3.94946675
_cell_length_c 4.52921832
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeGa2Cu
_chemical_formula_sum 'Be1 Ga2 Cu1'
_cell_volume 55.62305290
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 1.55475911 0.00000000 2.26460916 1
Ga Ga2 1 1.55475911 1.97473338 0.00000000 1
Ga Ga3 1 0.00000000 1.97473338 2.26460916 1
[/CIF]
| BeCuGa2 | Pmmm | 47 | orthorhombic | mmm | 6,329.05258 | false |
[CIF]
data_BaSrBeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12787525
_cell_length_b 5.12787525
_cell_length_c 5.12787525
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSrBeRu
_chemical_formula_sum 'Ba1 Sr1 Be1 Ru1'
_cell_volume 95.34487527
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.81297768 1.81297768 1.81297768 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
Ru Ru2 1 5.43893304 5.43893304 5.43893304 1
Sr Sr3 1 3.62595536 3.62595536 3.62595536 1
[/CIF]
| BaBeRuSr | F-43m | 216 | cubic | -43m | 5,834.912926 | false |
[CIF]
data_OsPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45487560
_cell_length_b 4.45487560
_cell_length_c 2.63574801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsPd2
_chemical_formula_sum 'Os1 Pd2'
_cell_volume 45.30078013
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00000000 1
Pd Pd1 1 -0.00000000 2.57202363 1.25011383 1
Pd Pd2 1 2.22743780 1.28601181 1.38563418 1
[/CIF]
| OsPd2 | P-3m1 | 164 | trigonal | -3m | 14,774.877598 | false |
[CIF]
data_BaCo2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19974981
_cell_length_b 4.64034688
_cell_length_c 6.04472225
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCo2Cl
_chemical_formula_sum 'Ba1 Co2 Cl1'
_cell_volume 117.80133601
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.02236112 1
Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
Co Co2 1 2.09987491 2.32017344 1.98012504 1
Co Co3 1 2.09987491 2.32017344 4.06459721 1
[/CIF]
| BaClCo2 | Pmmm | 47 | orthorhombic | mmm | 4,096.979725 | false |
[CIF]
data_Nb2RuPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82367732
_cell_length_b 4.82367732
_cell_length_c 4.82367732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2RuPb
_chemical_formula_sum 'Nb2 Ru1 Pb1'
_cell_volume 79.36330492
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.11628241 5.11628241 5.11628241 1
Nb Nb1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 1.70542747 1.70542747 1.70542747 1
Ru Ru3 1 3.41085494 3.41085494 3.41085494 1
[/CIF]
| Nb2PbRu | F-43m | 216 | cubic | -43m | 10,337.822069 | false |
[CIF]
data_Sm2LuCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42183741
_cell_length_b 5.42183741
_cell_length_c 5.42183741
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2LuCd
_chemical_formula_sum 'Sm2 Lu1 Cd1'
_cell_volume 112.70014425
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Lu Lu1 1 3.83381800 3.83381800 3.83381800 1
Sm Sm2 1 5.75072700 5.75072700 5.75072700 1
Sm Sm3 1 1.91690900 1.91690900 1.91690900 1
[/CIF]
| CdLuSm2 | Fm-3m | 225 | cubic | m-3m | 8,665.111996 | false |
[CIF]
data_HfTc2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38313013
_cell_length_b 4.38313013
_cell_length_c 3.28875797
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTc2Ge
_chemical_formula_sum 'Hf1 Tc2 Ge1'
_cell_volume 63.18305816
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.19156506 2.19156506 0.00000000 1
Tc Tc2 1 2.19156506 0.00000000 1.64437898 1
Tc Tc3 1 0.00000000 2.19156506 1.64437898 1
[/CIF]
| GeHfTc2 | P4/mmm | 123 | tetragonal | 4/mmm | 11,798.833667 | false |
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