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_Ti2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33816746 _cell_length_b 5.33816746 _cell_length_c 5.33816746 _cell_angle_alpha 105.43768407 _cell_angle_beta 105.43768407 _cell_angle_gamma 117.87989592 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Hg _chemical_formula_sum 'Ti4 Hg2' _cell_volume 115.18239499 _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 Hg Hg0 1 0.00000000 0.00000000 1.37707690 1 Hg Hg1 1 -0.00000000 0.00000000 4.13123070 1 Ti Ti2 1 2.30246975 0.93100119 0.00000000 1 Ti Ti3 1 2.30246975 -0.93100119 2.75415380 1 Ti Ti4 1 0.93100119 4.16447213 0.00000000 1 Ti Ti5 1 0.93100119 2.30246975 2.75415380 1 [/CIF]
Hg2Ti4
I4/mcm
140
tetragonal
4/mmm
8,543.971992
false
[CIF] data_HfZrGaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05897192 _cell_length_b 5.05897192 _cell_length_c 5.05897192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrGaPb _chemical_formula_sum 'Hf1 Zr1 Ga1 Pb1' _cell_volume 91.55283741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 5.36585003 5.36585003 5.36585003 1 Pb Pb2 1 1.78861668 1.78861668 1.78861668 1 Zr Zr3 1 3.57723335 3.57723335 3.57723335 1 [/CIF]
GaHfPbZr
F-43m
216
cubic
-43m
9,914.625471
false
[CIF] data_SrIn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46161482 _cell_length_b 4.46161482 _cell_length_c 5.01128542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIn2Pt _chemical_formula_sum 'Sr1 In2 Pt1' _cell_volume 99.75468166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 2.23080741 2.50564271 1 In In1 1 2.23080741 0.00000000 2.50564271 1 Pt Pt2 1 2.23080741 2.23080741 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2PtSr
P4/mmm
123
tetragonal
4/mmm
8,528.527897
false
[CIF] data_Tl2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86709506 _cell_length_b 6.86709506 _cell_length_c 6.86709506 _cell_angle_alpha 154.51612395 _cell_angle_beta 139.86492674 _cell_angle_gamma 48.14610816 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2TcAu _chemical_formula_sum 'Tl2 Tc1 Au1' _cell_volume 89.50454699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.35628954 0.78601286 1 Tc Tc1 1 0.00000000 0.00000000 9.40734221 1 Tl Tl2 1 0.00000000 2.35628954 5.61811449 1 Tl Tl3 1 0.00000000 0.00000000 2.99804174 1 [/CIF]
AuTcTl2
Imm2
44
orthorhombic
mm2
13,072.868804
false
[CIF] data_Ca2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41516534 _cell_length_b 6.41516534 _cell_length_c 6.41516534 _cell_angle_alpha 144.72063463 _cell_angle_beta 138.04694321 _cell_angle_gamma 55.94154301 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GaAs _chemical_formula_sum 'Ca2 Ga1 As1' _cell_volume 101.17826387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29653599 2.42417518 1 Ca Ca1 1 -0.00000000 -0.00000000 11.19101705 1 Ca Ca2 1 1.94398750 -0.00000000 2.86387338 1 Ga Ga3 1 -0.00000000 0.00000000 6.18409616 1 [/CIF]
AsCa2Ga
Imm2
44
orthorhombic
mm2
3,689.445468
false
[CIF] data_V4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03589108 _cell_length_b 5.03589108 _cell_length_c 5.03589108 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4In _chemical_formula_sum 'V4 In1' _cell_volume 98.31212736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 1.45373654 -1.45373653 1.45373654 1 V V2 1 1.45373654 1.45373654 1.45373654 1 V V3 1 1.45373654 1.45373654 -1.45373653 1 V V4 1 -1.45373653 1.45373653 1.45373654 1 [/CIF]
InV4
Im-3m
229
cubic
m-3m
5,381.036828
false
[CIF] data_LiTaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55666197 _cell_length_b 4.55666197 _cell_length_c 4.55666197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaAs2 _chemical_formula_sum 'Li1 Ta1 As2' _cell_volume 66.89989550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22204658 3.22204658 3.22204658 1 As As1 1 1.61102329 1.61102329 1.61102329 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.83306987 4.83306987 4.83306987 1 [/CIF]
As2LiTa
F-43m
216
cubic
-43m
8,382.93257
false
[CIF] data_IrAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40988021 _cell_length_b 5.40988021 _cell_length_c 5.40988021 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrAu5 _chemical_formula_sum 'Ir1 Au5' _cell_volume 111.95614802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78321689 4.78321689 2.86750907 1 Au Au1 1 5.73804447 5.73804447 5.73804447 1 Au Au2 1 2.86750907 4.78321689 4.78321689 1 Au Au3 1 2.86750907 2.86750907 2.86750907 1 Au Au4 1 4.78321689 2.86750907 4.78321689 1 Ir Ir5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au5Ir
F-43m
216
cubic
-43m
17,458.060906
false
[CIF] data_TaGaCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36307965 _cell_length_b 4.36307965 _cell_length_c 4.36307965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaCuTc _chemical_formula_sum 'Ta1 Ga1 Cu1 Tc1' _cell_volume 58.73059858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.08516321 3.08516321 3.08516321 1 Ta Ta2 1 4.62774481 4.62774481 4.62774481 1 Tc Tc3 1 1.54258160 1.54258160 1.54258160 1 [/CIF]
CuGaTaTc
F-43m
216
cubic
-43m
11,680.572482
false
[CIF] data_NaTeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13053531 _cell_length_b 5.13053531 _cell_length_c 5.13053531 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTeSe2 _chemical_formula_sum 'Na1 Te1 Se2' _cell_volume 95.49333158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.81391816 1.81391815 1.81391815 1 Se Se2 1 5.44175447 5.44175447 5.44175446 1 Te Te3 1 3.62783631 3.62783631 3.62783631 1 [/CIF]
NaSe2Te
Fm-3m
225
cubic
m-3m
5,364.694223
false
[CIF] data_BaNa2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48411451 _cell_length_b 5.48411451 _cell_length_c 6.14672278 _cell_angle_alpha 115.84812484 _cell_angle_beta 115.84812484 _cell_angle_gamma 59.11638742 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Ga _chemical_formula_sum 'Ba1 Na2 Ga1' _cell_volume 137.28666004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24326781 -0.00000000 2.74365737 1 Ga Ga1 1 0.08156474 0.00000000 4.49622590 1 Na Na2 1 6.44482019 0.00000000 5.16719363 1 Na Na3 1 6.38015003 -0.00000000 0.89014337 1 [/CIF]
BaGaNa2
Cm
8
monoclinic
m
3,060.497165
false
[CIF] data_GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02530412 _cell_length_b 7.02530412 _cell_length_c 7.02530412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs _chemical_formula_sum 'Ga8 As8' _cell_volume 346.73316811 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.00902947 1.00902947 1.00902947 1 As As1 1 2.50362259 6.01627465 4.52168153 1 As As2 1 6.01627465 4.52168153 2.50362259 1 As As3 1 4.52168153 2.50362259 6.01627465 1 As As4 1 6.01627465 6.01627465 6.01627465 1 As As5 1 4.52168153 1.00902947 2.50362259 1 As As6 1 1.00902947 2.50362259 4.52168153 1 As As7 1 2.50362259 4.52168153 1.00902947 1 Ga Ga8 1 2.42222587 2.42222587 2.42222587 1 Ga Ga9 1 1.09042619 4.60307825 5.93487793 1 Ga Ga10 1 4.60307825 5.93487793 1.09042619 1 Ga Ga11 1 5.93487793 1.09042619 4.60307825 1 Ga Ga12 1 4.60307825 4.60307825 4.60307825 1 Ga Ga13 1 5.93487793 2.42222587 1.09042619 1 Ga Ga14 1 2.42222587 1.09042619 5.93487793 1 Ga Ga15 1 1.09042619 5.93487793 2.42222587 1 [/CIF]
As8Ga8
Pa-3
205
cubic
m-3
5,541.737132
false
[CIF] data_Sc2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87795418 _cell_length_b 4.87795418 _cell_length_c 6.26462388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ti _chemical_formula_sum 'Sc4 Ti2' _cell_volume 129.09251612 _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 Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 2.81628816 1.56615597 1 Sc Sc2 1 0.00000000 0.00000000 3.13231194 1 Sc Sc3 1 2.43897709 1.40814408 4.69846791 1 Ti Ti4 1 2.43897709 1.40814408 1.56615597 1 Ti Ti5 1 0.00000000 2.81628816 4.69846791 1 [/CIF]
Sc8Ti4
P6_3/mmc
194
hexagonal
6/mmm
3,542.538676
false
[CIF] data_Mg2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32636354 _cell_length_b 9.32636354 _cell_length_c 9.32636354 _cell_angle_alpha 17.71853354 _cell_angle_beta 17.71853354 _cell_angle_gamma 17.71853354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2IrW _chemical_formula_sum 'Mg2 Ir1 W1' _cell_volume 65.58974661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.76656125 1 Mg Mg1 1 0.00000000 -0.00000000 6.74973975 1 Mg Mg2 1 0.00000000 -0.00000000 20.78338274 1 W W3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
IrMg2W
R-3m
166
trigonal
-3m
10,751.316785
false
[CIF] data_YInS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28916603 _cell_length_b 5.28916603 _cell_length_c 5.28916603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInS3 _chemical_formula_sum 'Y1 In1 S3' _cell_volume 147.96588634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 S S1 1 0.00000000 2.64458301 0.00000000 1 S S2 1 0.00000000 0.00000000 2.64458301 1 S S3 1 2.64458301 0.00000000 0.00000000 1 In In4 1 2.64458301 2.64458301 2.64458301 1 [/CIF]
InS3Y
Pm-3m
221
cubic
m-3m
3,365.82289
false
[CIF] data_LiTlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22784095 _cell_length_b 3.46950624 _cell_length_c 7.04894070 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.62254134 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlAu2 _chemical_formula_sum 'Li1 Tl1 Au2' _cell_volume 78.78345924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.11498918 1.73475312 5.62585379 1 Au Au1 1 1.66747743 1.73475312 1.40900277 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.22268717 0.00000000 3.51742828 1 [/CIF]
Au2LiTl
P2/m
10
monoclinic
2/m
12,757.16541
false
[CIF] data_Hf2ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58615399 _cell_length_b 5.58615399 _cell_length_c 5.58615399 _cell_angle_alpha 146.74163169 _cell_angle_beta 131.66281496 _cell_angle_gamma 59.93701527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZnCu _chemical_formula_sum 'Hf2 Zn1 Cu1' _cell_volume 70.77390991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.09830400 1 Hf Hf1 1 -0.00000000 2.28709982 4.70304049 1 Hf Hf2 1 0.00000000 -0.00000000 2.42778322 1 Zn Zn3 1 0.00000000 2.28709982 0.28872950 1 [/CIF]
CuHf2Zn
Imm2
44
orthorhombic
mm2
11,401.069046
false
[CIF] data_ReWBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04655478 _cell_length_b 3.04655478 _cell_length_c 8.88402171 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReWBr2 _chemical_formula_sum 'Re1 W1 Br2' _cell_volume 82.45701194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52327739 1.52327739 8.21402859 1 Br Br1 1 0.00000000 0.00000000 2.87061620 1 Re Re2 1 1.52327739 1.52327739 4.71776183 1 W W3 1 0.00000000 0.00000000 6.40764774 1 [/CIF]
Br2ReW
P4mm
99
tetragonal
4mm
10,670.356147
false
[CIF] data_P3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58629231 _cell_length_b 4.58629231 _cell_length_c 2.79190571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P3Pt _chemical_formula_sum 'P3 Pt1' _cell_volume 58.72516011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29314616 0.00000000 1.39595285 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 2.29314616 1.39595285 1 Pt Pt3 1 2.29314616 2.29314616 0.00000000 1 [/CIF]
P3Pt
P4/mmm
123
tetragonal
4/mmm
8,143.767133
false
[CIF] data_CaTaNbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70452582 _cell_length_b 4.70452582 _cell_length_c 4.70452582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaNbPt _chemical_formula_sum 'Ca1 Ta1 Nb1 Pt1' _cell_volume 73.62623143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.98990317 4.98990317 4.98990317 1 Pt Pt2 1 3.32660211 3.32660211 3.32660211 1 Ta Ta3 1 1.66330106 1.66330106 1.66330105 1 [/CIF]
CaNbPtTa
F-43m
216
cubic
-43m
11,480.16636
false
[CIF] data_BaSb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18801380 _cell_length_b 4.18801380 _cell_length_c 6.75228864 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.90605020 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSb2P _chemical_formula_sum 'Ba1 Sb2 P1' _cell_volume 117.80285404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37614432 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.80487894 -0.00000000 1.36015908 1 Sb Sb3 1 2.80487894 -0.00000000 5.39212956 1 [/CIF]
BaPSb2
Cmmm
65
orthorhombic
mmm
5,804.990629
false
[CIF] data_KRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99157700 _cell_length_b 3.99157700 _cell_length_c 3.99157700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRhO3 _chemical_formula_sum 'K1 Rh1 O3' _cell_volume 63.59654677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.99578850 1.99578850 1.99578850 1 O O2 1 1.99578850 1.99578850 0.00000000 1 O O3 1 1.99578850 0.00000000 1.99578850 1 O O4 1 0.00000000 1.99578850 1.99578850 1 [/CIF]
KO3Rh
Pm-3m
221
cubic
m-3m
4,961.0515
false
[CIF] data_PrB2Rh2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84503081 _cell_length_b 5.84503081 _cell_length_c 5.84503081 _cell_angle_alpha 141.21659751 _cell_angle_beta 141.21659751 _cell_angle_gamma 56.01064303 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrB2Rh2C _chemical_formula_sum 'Pr1 B2 Rh2 C1' _cell_volume 77.74530579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50289969 1 B B1 1 0.00000000 -0.00000000 8.81830231 1 C C2 1 0.00000000 0.00000000 0.00000000 1 Pr Pr3 1 -0.00000000 0.00000000 5.16060100 1 Rh Rh4 1 0.00000000 1.94069350 2.58030050 1 Rh Rh5 1 1.94069350 0.00000000 2.58030050 1 [/CIF]
CB2PrRh2
I4/mmm
139
tetragonal
4/mmm
8,123.812355
false
[CIF] data_Na2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22583804 _cell_length_b 3.22583804 _cell_length_c 7.77760765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NiGe _chemical_formula_sum 'Na2 Ni1 Ge1' _cell_volume 80.93402678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61291902 1.61291902 5.28562522 1 Na Na1 1 0.00000000 0.00000000 7.36087262 1 Na Na2 1 1.61291902 1.61291902 2.36768615 1 Ni Ni3 1 0.00000000 0.00000000 4.42983506 1 [/CIF]
GeNa2Ni
P4mm
99
tetragonal
4mm
3,638.504066
false
[CIF] data_Mn2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74930406 _cell_length_b 2.74930406 _cell_length_c 7.26579679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AgPd _chemical_formula_sum 'Mn2 Ag1 Pd1' _cell_volume 54.91978063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37465203 1.37465203 5.55357683 1 Mn Mn1 1 0.00000000 0.00000000 0.34530706 1 Mn Mn2 1 1.37465203 1.37465203 1.55805552 1 Pd Pd3 1 0.00000000 0.00000000 3.44175570 1 [/CIF]
AgMn2Pd
P4mm
99
tetragonal
4mm
9,801.72131
false
[CIF] data_BaTlCrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52397546 _cell_length_b 5.52397546 _cell_length_c 5.52397546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlCrIn _chemical_formula_sum 'Ba1 Tl1 Cr1 In1' _cell_volume 119.19011120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95302026 1.95302026 1.95302026 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 3.90604051 3.90604051 3.90604051 1 Tl Tl3 1 5.85906077 5.85906077 5.85906077 1 [/CIF]
BaCrInTl
F-43m
216
cubic
-43m
7,084.68701
false
[CIF] data_BaMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86910048 _cell_length_b 4.86910048 _cell_length_c 4.86910048 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMoPd _chemical_formula_sum 'Ba1 Mo1 Pd1' _cell_volume 81.62650723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.16446096 5.16446096 5.16446096 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.72148699 1.72148699 1.72148699 1 [/CIF]
BaMoPd
F-43m
216
cubic
-43m
6,910.705405
false
[CIF] data_YTiFePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56613582 _cell_length_b 4.56613582 _cell_length_c 4.56613582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiFePt _chemical_formula_sum 'Y1 Ti1 Fe1 Pt1' _cell_volume 67.31804231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22874560 3.22874560 3.22874560 1 Pt Pt1 1 4.84311840 4.84311840 4.84311840 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.61437280 1.61437280 1.61437280 1 [/CIF]
FePtTiY
F-43m
216
cubic
-43m
9,563.469852
false
[CIF] data_ZrIn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42963440 _cell_length_b 5.42963440 _cell_length_c 5.42963440 _cell_angle_alpha 134.04782509 _cell_angle_beta 134.04782509 _cell_angle_gamma 67.01331943 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIn2W _chemical_formula_sum 'Zr1 In2 W1' _cell_volume 81.34791759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.11944106 -0.00000000 2.26367339 1 In In1 1 0.00000000 -0.00000000 4.52734678 1 W W2 1 0.00000000 2.11944106 2.26367339 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2WZr
I-4m2
119
tetragonal
-42m
10,302.341986
false
[CIF] data_Mg2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49663590 _cell_length_b 3.49663590 _cell_length_c 7.35006137 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.79403291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AsSe _chemical_formula_sum 'Mg2 As1 Se1' _cell_volume 84.55565568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.01073297 0.00000000 1.88896401 1 Mg Mg2 1 2.01073297 0.00000000 5.46109736 1 Se Se3 1 0.00000000 0.00000000 3.67503068 1 [/CIF]
AsMg2Se
Cmmm
65
orthorhombic
mmm
3,976.614098
false
[CIF] data_AgOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37795658 _cell_length_b 8.37795658 _cell_length_c 8.37795658 _cell_angle_alpha 153.14875608 _cell_angle_beta 153.14875608 _cell_angle_gamma 38.33806735 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgOs3 _chemical_formula_sum 'Ag2 Os6' _cell_volume 119.77371607 _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 0.00000000 5.98378368 1 Ag Ag1 1 -0.00000000 0.00000000 9.84308066 1 Os Os2 1 -0.00000000 1.94521820 -0.00000000 1 Os Os3 1 -0.00000000 0.00000000 2.03162525 1 Os Os4 1 -0.00000000 0.00000000 13.79523909 1 Os Os5 1 0.00000000 1.94521820 3.95671608 1 Os Os6 1 1.94521820 0.00000000 3.95671608 1 Os Os7 1 1.94521820 0.00000000 -0.00000000 1 [/CIF]
Ag2Os6
I4/mmm
139
tetragonal
4/mmm
18,815.019473
false
[CIF] data_LaNpO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45542800 _cell_length_b 4.45542800 _cell_length_c 4.45542800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNpO3 _chemical_formula_sum 'La1 Np1 O3' _cell_volume 88.44398240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 2.22771400 2.22771400 2.22771400 1 O O2 1 2.22771400 2.22771400 0.00000000 1 O O3 1 2.22771400 0.00000000 2.22771400 1 O O4 1 0.00000000 2.22771400 2.22771400 1 [/CIF]
LaNpO3
Pm-3m
221
cubic
m-3m
7,958.807206
false
[CIF] data_Sn2GeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01342109 _cell_length_b 5.01342109 _cell_length_c 5.01342109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2GeP _chemical_formula_sum 'Sn2 Ge1 P1' _cell_volume 89.10202068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31753607 5.31753608 5.31753608 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.77251202 1.77251202 1.77251202 1 Sn Sn3 1 3.54502405 3.54502405 3.54502405 1 [/CIF]
GePSn2
F-43m
216
cubic
-43m
6,355.634591
false
[CIF] data_SbRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37979626 _cell_length_b 3.37979626 _cell_length_c 8.51374859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbRuPb2 _chemical_formula_sum 'Sb1 Ru1 Pb2' _cell_volume 97.25274391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 8.36754514 1 Pb Pb1 1 1.68989813 1.68989813 2.54463081 1 Ru Ru2 1 0.00000000 0.00000000 4.51853959 1 Sb Sb3 1 1.68989813 1.68989813 5.85365594 1 [/CIF]
Pb2RuSb
P4mm
99
tetragonal
4mm
10,880.364573
false
[CIF] data_LiMn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23565279 _cell_length_b 6.23565279 _cell_length_c 6.36852943 _cell_angle_alpha 119.04653920 _cell_angle_beta 119.04653920 _cell_angle_gamma 61.59787089 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2OF3 _chemical_formula_sum 'Li2 Mn4 O2 F6' _cell_volume 179.68855653 _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 -1.79985900 -0.00000000 2.62679450 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 2.67811750 1.59641100 0.00000000 1 Mn Mn3 1 1.82342253 -0.00000000 2.97168211 1 Mn Mn4 1 5.28932947 -0.00000000 2.28190689 1 Mn Mn5 1 2.67811750 -1.59641100 0.00000000 1 O O6 1 1.85273476 -0.00000000 0.98317241 1 O O7 1 5.26001724 -0.00000000 4.27041659 1 F F8 1 7.21795537 0.00000000 1.44582447 1 F F9 1 4.45857374 1.70284372 1.38370078 1 F F10 1 2.65417826 -1.70284372 3.86988822 1 F F11 1 2.65417826 1.70284372 3.86988822 1 F F12 1 -0.10520337 -0.00000000 3.80776453 1 F F13 1 4.45857374 -1.70284372 1.38370078 1 [/CIF]
F6Li2Mn4O2
C2/m
12
monoclinic
2/m
3,508.178245
false
[CIF] data_BaLa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36802847 _cell_length_b 4.36802847 _cell_length_c 7.94172329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa2Bi _chemical_formula_sum 'Ba1 La2 Bi1' _cell_volume 151.52548082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 3.97086164 1 La La2 1 2.18401423 2.18401423 5.57824714 1 La La3 1 2.18401423 2.18401423 2.36347615 1 [/CIF]
BaBiLa2
P4/mmm
123
tetragonal
4/mmm
6,839.594788
false
[CIF] data_MnSeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61166692 _cell_length_b 4.61166692 _cell_length_c 4.61166692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSeBr _chemical_formula_sum 'Mn1 Se1 Br1' _cell_volume 69.35196956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26094095 3.26094095 3.26094095 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.63047048 1.63047048 1.63047048 1 [/CIF]
BrMnSe
F-43m
216
cubic
-43m
5,119.200658
false
[CIF] data_NaLaReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78318070 _cell_length_b 4.78318070 _cell_length_c 4.78318070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaReRh _chemical_formula_sum 'Na1 La1 Re1 Rh1' _cell_volume 77.38118335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69110976 1.69110976 1.69110976 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.38221951 3.38221951 3.38221951 1 Rh Rh3 1 5.07332927 5.07332927 5.07332927 1 [/CIF]
LaNaReRh
F-43m
216
cubic
-43m
9,678.269807
false
[CIF] data_TcPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86478507 _cell_length_b 4.86478507 _cell_length_c 4.86478507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPb2W _chemical_formula_sum 'Tc1 Pb2 W1' _cell_volume 81.40966621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.43992251 3.43992251 3.43992251 1 Pb Pb1 1 5.15988377 5.15988377 5.15988377 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.71996126 1.71996126 1.71996126 1 [/CIF]
Pb2TcW
F-43m
216
cubic
-43m
14,219.914589
false
[CIF] data_Nb2FeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79068724 _cell_length_b 4.41420411 _cell_length_c 5.08783108 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.76304965 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2FeTc _chemical_formula_sum 'Nb2 Fe1 Tc1' _cell_volume 61.57268663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04871571 0.00000000 3.83647265 1 Nb Nb1 1 -0.91200082 2.20710206 4.89815526 1 Nb Nb2 1 1.82440692 0.00000000 1.33643410 1 Tc Tc3 1 0.94698740 2.20710206 2.42475148 1 [/CIF]
FeNb2Tc
Pm
6
monoclinic
m
9,184.588025
false
[CIF] data_LiZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40437472 _cell_length_b 4.40437472 _cell_length_c 2.86970045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnGa _chemical_formula_sum 'Li1 Zn1 Ga1' _cell_volume 48.20984340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.54286695 1.43485022 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.20218734 1.27143348 1.43485022 1 [/CIF]
GaLiZn
P-6m2
187
hexagonal
-6m2
4,892.561242
false
[CIF] data_TiPtCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91284759 _cell_length_b 2.91284759 _cell_length_c 9.23038844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPtCl2 _chemical_formula_sum 'Ti1 Pt1 Cl2' _cell_volume 78.31690218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45642380 1.45642380 1.50994479 1 Cl Cl1 1 1.45642380 1.45642380 7.72044365 1 Pt Pt2 1 0.00000000 0.00000000 4.61519422 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2PtTi
P4/mmm
123
tetragonal
4/mmm
6,654.656695
false
[CIF] data_CaVInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70678411 _cell_length_b 4.70678411 _cell_length_c 4.70678411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVInOs _chemical_formula_sum 'Ca1 V1 In1 Os1' _cell_volume 73.73230948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.99229844 4.99229844 4.99229844 1 Os Os2 1 1.66409948 1.66409948 1.66409948 1 V V3 1 3.32819896 3.32819896 3.32819896 1 [/CIF]
CaInOsV
F-43m
216
cubic
-43m
8,919.909893
false
[CIF] data_LiSi2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49611371 _cell_length_b 4.49611371 _cell_length_c 2.75736739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.01398226 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSi2Tc _chemical_formula_sum 'Li1 Si2 Tc1' _cell_volume 52.37408313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.28920773 1.84165769 1.37868369 1 Si Si2 1 1.28920773 -1.84165769 1.37868369 1 Tc Tc3 1 2.57841546 -0.00000000 0.00000000 1 [/CIF]
LiSi2Tc
Cmmm
65
orthorhombic
mmm
5,137.576686
false
[CIF] data_Cu2PPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28872664 _cell_length_b 3.28872664 _cell_length_c 6.55366008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2PPb _chemical_formula_sum 'Cu2 P1 Pb1' _cell_volume 70.88257149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.33892732 1 Cu Cu1 1 1.64436332 1.64436332 1.85838574 1 P P2 1 0.00000000 0.00000000 2.60143624 1 Pb Pb3 1 1.64436332 1.64436332 5.03174082 1 [/CIF]
Cu2PPb
P4mm
99
tetragonal
4mm
8,556.942204
false
[CIF] data_YCdMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82424900 _cell_length_b 4.82424900 _cell_length_c 4.82424900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdMoPt _chemical_formula_sum 'Y1 Cd1 Mo1 Pt1' _cell_volume 79.39152567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41125918 3.41125918 3.41125918 1 Mo Mo1 1 1.70562959 1.70562959 1.70562959 1 Pt Pt2 1 5.11688877 5.11688877 5.11688877 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMoPtY
F-43m
216
cubic
-43m
10,298.132192
false
[CIF] data_MgTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26252165 _cell_length_b 5.26252165 _cell_length_c 5.63774041 _cell_angle_alpha 120.96216442 _cell_angle_beta 120.96216442 _cell_angle_gamma 50.61425941 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc _chemical_formula_sum 'Mg3 Tc3' _cell_volume 99.22691452 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.78278430 -0.00000000 0.80114954 1 Mg Mg1 1 3.52379558 -0.00000000 3.83463406 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 -1.60418416 0.00000000 2.31789180 1 Tc Tc4 1 0.86411727 0.00000000 2.89455194 1 Tc Tc5 1 5.44246261 -0.00000000 1.74123166 1 [/CIF]
Mg3Tc3
C2/m
12
monoclinic
2/m
6,185.731322
false
[CIF] data_Ba2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53808320 _cell_length_b 8.53808320 _cell_length_c 8.53808320 _cell_angle_alpha 28.92285577 _cell_angle_beta 28.92285577 _cell_angle_gamma 28.92285577 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2PtRh _chemical_formula_sum 'Ba2 Pt1 Rh1' _cell_volume 128.75244782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.44945145 1 Ba Ba1 1 -0.00000000 0.00000000 6.07674804 1 Pt Pt2 1 -0.00000000 -0.00000000 12.26309974 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2PtRh
R-3m
166
trigonal
-3m
7,385.466599
false
[CIF] data_LaAgMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76063473 _cell_length_b 4.76063473 _cell_length_c 4.76063473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAgMoOs _chemical_formula_sum 'La1 Ag1 Mo1 Os1' _cell_volume 76.29210253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36627710 3.36627710 3.36627710 1 La La1 1 5.04941565 5.04941565 5.04941565 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.68313855 1.68313855 1.68313855 1 [/CIF]
AgLaMoOs
F-43m
216
cubic
-43m
11,600.243876
false
[CIF] data_MnInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69642009 _cell_length_b 4.69642009 _cell_length_c 4.69642009 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInAu2 _chemical_formula_sum 'Mn1 In1 Au2' _cell_volume 73.24632043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98130573 4.98130573 4.98130573 1 Au Au1 1 1.66043525 1.66043525 1.66043525 1 In In2 1 3.32087049 3.32087049 3.32087049 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2InMn
Fm-3m
225
cubic
m-3m
12,779.179955
false
[CIF] data_HfTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28698964 _cell_length_b 3.28698964 _cell_length_c 21.47444991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl _chemical_formula_sum 'Hf4 Tl4' _cell_volume 200.93211237 _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 Hf Hf0 1 -0.00000002 1.89774436 18.88910481 1 Hf Hf1 1 -0.00000002 1.89774436 2.58534510 1 Hf Hf2 1 0.00000000 0.00000000 4.95410620 1 Hf Hf3 1 0.00000000 0.00000000 16.52034371 1 Tl Tl4 1 -0.00000002 1.89774436 7.62447939 1 Tl Tl5 1 -0.00000002 1.89774436 13.84997052 1 Tl Tl6 1 0.00000000 0.00000000 0.00000000 1 Tl Tl7 1 0.00000000 0.00000000 10.73722496 1 [/CIF]
Hf4Tl4
P-6m2
187
hexagonal
-6m2
12,656.534881
false
[CIF] data_ZrAgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04446367 _cell_length_b 5.04446367 _cell_length_c 5.04446367 _cell_angle_alpha 133.56912305 _cell_angle_beta 133.56912305 _cell_angle_gamma 67.76177691 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgRh2 _chemical_formula_sum 'Zr1 Ag1 Rh2' _cell_volume 66.23644998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98847490 2.09395253 1 Rh Rh1 1 0.00000000 0.00000000 4.18790506 1 Rh Rh2 1 1.98847490 0.00000000 2.09395253 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRh2Zr
I-4m2
119
tetragonal
-42m
10,151.055858
false
[CIF] data_SrMnRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14813075 _cell_length_b 3.14813075 _cell_length_c 7.99932989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnRe2 _chemical_formula_sum 'Sr1 Mn1 Re2' _cell_volume 79.27917668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.53073524 1 Re Re1 1 1.57406538 1.57406538 0.10995167 1 Re Re2 1 0.00000000 0.00000000 1.47134162 1 Sr Sr3 1 1.57406538 1.57406538 3.88696623 1 [/CIF]
MnRe2Sr
P4mm
99
tetragonal
4mm
10,786.344503
false
[CIF] data_CuAsPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61449676 _cell_length_b 5.61449676 _cell_length_c 5.61449676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAsPb3 _chemical_formula_sum 'Cu1 As1 Pb3' _cell_volume 176.98338885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.80724838 0.00000000 2.80724838 1 Pb Pb1 1 2.80724838 2.80724838 0.00000000 1 Pb Pb2 1 0.00000000 2.80724838 2.80724838 1 As As3 1 2.80724838 2.80724838 2.80724838 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCuPb3
Pm-3m
221
cubic
m-3m
7,131.301707
false
[CIF] data_MgPd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81639762 _cell_length_b 4.81639762 _cell_length_c 3.11197769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.22017710 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPd2Cl _chemical_formula_sum 'Mg1 Pd2 Cl1' _cell_volume 68.95467410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85745867 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.42872934 1.93859589 1.55598884 1 Pd Pd3 1 1.42872934 -1.93859589 1.55598884 1 [/CIF]
ClMgPd2
Cmmm
65
orthorhombic
mmm
6,564.596735
false
[CIF] data_ZrBAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12749995 _cell_length_b 5.12749995 _cell_length_c 5.12749995 _cell_angle_alpha 140.97432847 _cell_angle_beta 140.97432847 _cell_angle_gamma 56.37686453 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBAs _chemical_formula_sum 'Zr1 B1 As1' _cell_volume 53.02604975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24932917 1 B B1 1 0.00000000 -0.00000000 2.28441707 1 Zr Zr2 1 0.00000000 0.00000000 6.50499877 1 [/CIF]
AsBZr
I4mm
107
tetragonal
4mm
5,541.490433
false
[CIF] data_Pb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.98776607 _cell_length_b 11.98776607 _cell_length_c 11.98776607 _cell_angle_alpha 159.94199466 _cell_angle_beta 159.94199466 _cell_angle_gamma 28.51504749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2Br _chemical_formula_sum 'Pb4 Br2' _cell_volume 202.54327304 _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 Br Br0 1 -0.00000000 2.08762939 5.80926292 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.08762939 -0.00000000 7.43319728 1 Pb Pb3 1 -0.00000000 0.00000000 9.99459146 1 Pb Pb4 1 2.08762939 0.00000000 4.18532855 1 Pb Pb5 1 -0.00000000 0.00000000 13.24246020 1 [/CIF]
Br2Pb4
I4_1/amd
141
tetragonal
4/mmm
8,105.044324
false
[CIF] data_FeTcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79444202 _cell_length_b 4.79444202 _cell_length_c 4.79444202 _cell_angle_alpha 130.26204553 _cell_angle_beta 130.26204553 _cell_angle_gamma 72.98818817 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcAu2 _chemical_formula_sum 'Fe1 Tc1 Au2' _cell_volume 62.67729401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 3.85433905 1 Au Au1 1 -0.00000000 2.01627686 1.92716953 1 Fe Fe2 1 0.00000000 -0.00000000 0.00000000 1 Tc Tc3 1 2.01627686 0.00000000 1.92716953 1 [/CIF]
Au2FeTc
I-4m2
119
tetragonal
-42m
14,536.552557
false
[CIF] data_GaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25570378 _cell_length_b 4.25570378 _cell_length_c 2.76487008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaOs2 _chemical_formula_sum 'Ga1 Os2' _cell_volume 43.36587782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 2.12785189 1.22851586 2.06217464 1 Os Os2 1 0.00000000 2.45703172 0.70269544 1 [/CIF]
GaOs2
P-3m1
164
trigonal
-3m
17,238.125819
false
[CIF] data_La2CoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59107771 _cell_length_b 4.88103908 _cell_length_c 5.10877643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CoIr _chemical_formula_sum 'La2 Co1 Ir1' _cell_volume 89.54760721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.44051954 2.55438821 1 La La2 1 1.79553885 2.44051954 0.00000000 1 La La3 1 1.79553885 0.00000000 2.55438821 1 [/CIF]
CoIrLa2
Pmmm
47
orthorhombic
mmm
9,808.867671
false
[CIF] data_Ti(NiTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19667342 _cell_length_b 7.19667342 _cell_length_c 7.19667342 _cell_angle_alpha 150.88565769 _cell_angle_beta 150.88565769 _cell_angle_gamma 41.64288766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(NiTe)2 _chemical_formula_sum 'Ti1 Ni2 Te2' _cell_volume 88.03754323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80885451 3.36333908 1 Ni Ni1 1 1.80885451 -0.00000000 3.36333908 1 Te Te2 1 0.00000000 -0.00000000 8.29566064 1 Te Te3 1 0.00000000 -0.00000000 5.15769568 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2Te2Ti
I4/mmm
139
tetragonal
4/mmm
7,930.479827
false
[CIF] data_AlSiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64837647 _cell_length_b 4.64837647 _cell_length_c 4.64837647 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiCl _chemical_formula_sum 'Al1 Si1 Cl1' _cell_volume 71.02134344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.64344926 1.64344926 1.64344926 1 Si Si2 1 3.28689852 3.28689852 3.28689852 1 [/CIF]
AlClSi
F-43m
216
cubic
-43m
2,116.435048
false
[CIF] data_YMn2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61755811 _cell_length_b 4.61755811 _cell_length_c 4.61755811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMn2Nb _chemical_formula_sum 'Y1 Mn2 Nb1' _cell_volume 69.61809095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63255333 1.63255333 1.63255332 1 Mn Mn1 1 4.89765997 4.89765997 4.89765997 1 Nb Nb2 1 3.26510665 3.26510665 3.26510665 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2NbY
Fm-3m
225
cubic
m-3m
6,957.384841
false
[CIF] data_Cs3NaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01136693 _cell_length_b 7.01136693 _cell_length_c 7.01136693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3NaP _chemical_formula_sum 'Cs3 Na1 P1' _cell_volume 344.67365353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50568347 0.00000000 3.50568347 1 Cs Cs1 1 3.50568347 3.50568347 0.00000000 1 Cs Cs2 1 0.00000000 3.50568347 3.50568347 1 P P3 1 3.50568347 3.50568347 3.50568347 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3NaP
Pm-3m
221
cubic
m-3m
2,180.882204
false
[CIF] data_MgFe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31528519 _cell_length_b 3.31528519 _cell_length_c 5.43443538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFe2Pt _chemical_formula_sum 'Mg1 Fe2 Pt1' _cell_volume 59.73050906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65764260 1.65764260 3.93476316 1 Fe Fe1 1 1.65764260 1.65764260 1.49967222 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 2.71721769 1 [/CIF]
Fe2MgPt
P4/mmm
123
tetragonal
4/mmm
9,204.167556
false
[CIF] data_Na2ZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68067205 _cell_length_b 3.82447416 _cell_length_c 7.18540144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZnHg _chemical_formula_sum 'Na2 Zn1 Hg1' _cell_volume 101.14627445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84033603 1.91223708 5.18888577 1 Na Na1 1 0.00000000 0.00000000 6.95605456 1 Na Na2 1 1.84033603 1.91223708 2.03807258 1 Zn Zn3 1 0.00000000 0.00000000 3.78049068 1 [/CIF]
HgNa2Zn
Pmm2
25
orthorhombic
mm2
5,121.339351
false
[CIF] data_PrCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74288511 _cell_length_b 7.74288511 _cell_length_c 4.07071400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCdPd _chemical_formula_sum 'Pr3 Cd3 Pd3' _cell_volume 211.35223917 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.93629677 0.00000000 2.03535700 1 Cd Cd1 1 -0.96814838 1.67688219 2.03535700 1 Cd Cd2 1 2.90329417 5.02865302 2.03535700 1 Pd Pd3 1 3.87144256 2.23517840 2.03535700 1 Pd Pd4 1 -0.00000000 4.47035680 2.03535700 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 Pr Pr6 1 4.57059667 0.00000000 0.00000000 1 Pr Pr7 1 1.58614422 2.74728238 0.00000000 1 Pr Pr8 1 -2.28529833 3.95825282 0.00000000 1 [/CIF]
Cd3Pd3Pr3
P-62m
189
hexagonal
-6m2
8,479.137693
false
[CIF] data_FeReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07375539 _cell_length_b 4.07375539 _cell_length_c 4.07375539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReIr _chemical_formula_sum 'Fe1 Re1 Ir1' _cell_volume 47.80461731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88058006 2.88058006 2.88058006 1 Re Re2 1 4.32087009 4.32087009 4.32087009 1 [/CIF]
FeIrRe
F-43m
216
cubic
-43m
15,084.748722
false
[CIF] data_Ba3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.75546848 _cell_length_b 11.75546848 _cell_length_c 4.25760701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 140.01812115 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Rh _chemical_formula_sum 'Ba6 Rh2' _cell_volume 378.04996700 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.01886010 5.69521888 1.06440175 1 Ba Ba1 1 4.01886010 -5.69521888 3.19320526 1 Ba Ba2 1 5.88190791 2.01691805 1.06440175 1 Ba Ba3 1 2.15581229 -2.01691805 3.19320526 1 Ba Ba4 1 5.88190791 -2.01691805 3.19320526 1 Ba Ba5 1 2.15581229 2.01691805 1.06440175 1 Rh Rh6 1 4.01886010 -3.44660560 1.06440175 1 Rh Rh7 1 4.01886010 3.44660560 3.19320526 1 [/CIF]
Ba6Rh2
Cmcm
63
orthorhombic
mmm
4,523.154201
false
[CIF] data_ZrPa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91486306 _cell_length_b 4.91486306 _cell_length_c 4.91486306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPa2Co _chemical_formula_sum 'Zr1 Pa2 Co1' _cell_volume 83.94972316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pa Pa1 1 1.73766650 1.73766650 1.73766650 1 Pa Pa2 1 5.21299950 5.21299950 5.21299950 1 Zr Zr3 1 3.47533300 3.47533300 3.47533300 1 [/CIF]
CoPa2Zr
Fm-3m
225
cubic
m-3m
12,109.987493
false
[CIF] data_ZrVTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93874507 _cell_length_b 4.93874507 _cell_length_c 4.93874507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVTe2 _chemical_formula_sum 'Zr1 V1 Te2' _cell_volume 85.17944967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 1.74611007 1.74611007 1.74611007 1 Te Te1 1 5.23833020 5.23833020 5.23833020 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.49222013 3.49222013 3.49222013 1 [/CIF]
Te2VZr
Fm-3m
225
cubic
m-3m
7,746.48039
false
[CIF] data_K2InIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59481904 _cell_length_b 4.59481904 _cell_length_c 5.57952719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2InIr _chemical_formula_sum 'K2 In1 Ir1' _cell_volume 117.79699788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 2.78976360 1 K K2 1 2.29740952 2.29740952 4.12979803 1 K K3 1 2.29740952 2.29740952 1.44972916 1 [/CIF]
InIrK2
P4/mmm
123
tetragonal
4/mmm
5,430.462007
false
[CIF] data_AlZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99260899 _cell_length_b 3.99260899 _cell_length_c 3.99260899 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnCo _chemical_formula_sum 'Al1 Zn1 Co1' _cell_volume 45.00443797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 2.82320089 2.82320089 2.82320089 1 Zn Zn2 1 1.41160044 1.41160044 1.41160044 1 [/CIF]
AlCoZn
F-43m
216
cubic
-43m
5,582.356475
false
[CIF] data_Cr3Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87736305 _cell_length_b 4.87736305 _cell_length_c 4.87736305 _cell_angle_alpha 84.55718295 _cell_angle_beta 84.55718295 _cell_angle_gamma 84.55718295 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Cl2 _chemical_formula_sum 'Cr3 Cl2' _cell_volume 114.54978476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21117904 1 Cl Cl1 1 -0.00000000 -0.00000000 3.00318296 1 Cr Cr2 1 0.00000000 -1.89438913 1.53572700 1 Cr Cr3 1 -1.64058911 0.94719456 1.53572700 1 Cr Cr4 1 1.64058911 0.94719456 1.53572700 1 [/CIF]
Cl4Cr6
R-3m
166
trigonal
-3m
3,289.109914
false
[CIF] data_GeRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31720196 _cell_length_b 3.31720196 _cell_length_c 8.09417554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeRuPb2 _chemical_formula_sum 'Ge1 Ru1 Pb2' _cell_volume 89.06692203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.65860098 1.65860098 2.32196723 1 Pb Pb2 1 1.65860098 1.65860098 5.77220831 1 Ru Ru3 1 0.00000000 0.00000000 4.04708777 1 [/CIF]
GePb2Ru
P4/mmm
123
tetragonal
4/mmm
10,965.721985
false
[CIF] data_Ca(BiO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52658855 _cell_length_b 8.52658855 _cell_length_c 10.57844170 _cell_angle_alpha 125.42323181 _cell_angle_beta 125.42323181 _cell_angle_gamma 23.58141946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(BiO2)4 _chemical_formula_sum 'Ca1 Bi4 O8' _cell_volume 247.94122177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.91251848 0.00000000 1.72437016 1 Bi Bi1 1 2.45835427 0.00000000 4.76763909 1 Bi Bi2 1 13.23720616 0.00000000 1.73514545 1 Bi Bi3 1 -2.83518042 0.00000000 7.24437845 1 Bi Bi4 1 7.61522439 0.00000000 4.29476247 1 O O5 1 -1.81707187 0.00000000 5.33383619 1 O O6 1 4.21623328 0.00000000 6.69822304 1 O O7 1 6.17104551 0.00000000 2.32263739 1 O O8 1 11.60166379 0.00000000 3.29460425 1 O O9 1 9.48998857 0.00000000 5.48963459 1 O O10 1 2.80116492 -0.00000000 0.77106399 1 O O11 1 0.72940215 0.00000000 3.13554086 1 O O12 1 6.78904971 0.00000000 7.82154691 1 [/CIF]
Bi4CaO8
Cm
8
monoclinic
m
6,724.090985
false
[CIF] data_MnTlVCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49499952 _cell_length_b 4.49499952 _cell_length_c 4.49499952 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlVCu _chemical_formula_sum 'Mn1 Tl1 V1 Cu1' _cell_volume 64.22053961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17844464 3.17844464 3.17844464 1 Mn Mn1 1 1.58922232 1.58922232 1.58922232 1 Tl Tl2 1 4.76766696 4.76766696 4.76766696 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMnTlV
F-43m
216
cubic
-43m
9,665.508796
false
[CIF] data_SrNp2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32479549 _cell_length_b 5.32479549 _cell_length_c 5.32479549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNp2Al _chemical_formula_sum 'Sr1 Np2 Al1' _cell_volume 106.75637036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 1.88259950 1.88259950 1.88259950 1 Np Np2 1 5.64779850 5.64779850 5.64779850 1 Sr Sr3 1 3.76519900 3.76519900 3.76519900 1 [/CIF]
AlNp2Sr
Fm-3m
225
cubic
m-3m
9,155.386664
false
[CIF] data_SrZrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87377414 _cell_length_b 3.87377414 _cell_length_c 6.72322420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrOs _chemical_formula_sum 'Sr1 Zr1 Os1' _cell_volume 87.37291318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93688709 1.11826226 6.46091304 1 Sr Sr1 1 0.00000000 0.00000000 1.83059182 1 Zr Zr2 1 0.00000002 2.23652453 5.15494354 1 [/CIF]
OsSrZr
P3m1
156
trigonal
3m
7,014.322549
false
[CIF] data_BaLiFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81046481 _cell_length_b 4.81046481 _cell_length_c 4.81046481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiFeMo _chemical_formula_sum 'Ba1 Li1 Fe1 Mo1' _cell_volume 78.71293910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.10226844 5.10226844 5.10226844 1 Fe Fe1 1 3.40151229 3.40151229 3.40151229 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 1.70075615 1.70075615 1.70075615 1 [/CIF]
BaFeLiMo
F-43m
216
cubic
-43m
6,245.99702
false
[CIF] data_AlNi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20138288 _cell_length_b 3.32437181 _cell_length_c 4.90041546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi2As _chemical_formula_sum 'Al1 Ni2 As1' _cell_volume 52.15309787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27627934 1 As As1 1 1.60069144 1.66218591 3.86983957 1 Ni Ni2 1 0.00000000 0.00000000 4.75927703 1 Ni Ni3 1 1.60069144 1.66218591 1.34564267 1 [/CIF]
AlAsNi2
Pmm2
25
orthorhombic
mm2
6,982.12618
false
[CIF] data_LiTc2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72546590 _cell_length_b 2.72546590 _cell_length_c 6.85140482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTc2B _chemical_formula_sum 'Li1 Tc2 B1' _cell_volume 50.89336100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42570241 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.36273295 1.36273295 2.17869288 1 Tc Tc3 1 1.36273295 1.36273295 4.67271194 1 [/CIF]
BLiTc2
P4/mmm
123
tetragonal
4/mmm
7,033.597918
false
[CIF] data_Ba2IrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58144864 _cell_length_b 5.58144864 _cell_length_c 5.58144864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2IrSe _chemical_formula_sum 'Ba2 Ir1 Se1' _cell_volume 122.94922618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97334009 1.97334009 1.97334009 1 Ba Ba1 1 5.92002027 5.92002027 5.92002027 1 Ir Ir2 1 3.94668018 3.94668018 3.94668018 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2IrSe
Fm-3m
225
cubic
m-3m
7,371.934964
false
[CIF] data_Y2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52324555 _cell_length_b 5.52324555 _cell_length_c 5.52324555 _cell_angle_alpha 125.32046453 _cell_angle_beta 125.32046453 _cell_angle_gamma 81.00790579 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HgPb _chemical_formula_sum 'Y2 Hg1 Pb1' _cell_volume 108.09160433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 4.19966138 1 Y Y2 1 0.00000000 2.53664007 2.09983069 1 Y Y3 1 2.53664007 0.00000000 2.09983069 1 [/CIF]
HgPbY2
I4/mmm
139
tetragonal
4/mmm
8,996.207488
false
[CIF] data_K4AlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46552512 _cell_length_b 7.46552512 _cell_length_c 7.46552512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4AlCl _chemical_formula_sum 'K4 Al1 Cl1' _cell_volume 294.21586409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.63946172 2.63946172 2.63946172 1 K K2 1 3.95723973 3.95723973 6.60060715 1 K K3 1 3.95723973 6.60060715 3.95723973 1 K K4 1 6.60060715 3.95723973 3.95723973 1 K K5 1 6.60060715 6.60060715 6.60060715 1 [/CIF]
AlClK4
F-43m
216
cubic
-43m
1,235.052399
false
[CIF] data_CdGe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90368981 _cell_length_b 2.90368981 _cell_length_c 9.77617490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.61336044 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGe2Os _chemical_formula_sum 'Cd1 Ge2 Os1' _cell_volume 73.69382789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62824104 1 Ge Ge1 1 1.52551863 0.00000000 9.73090691 1 Ge Ge2 1 0.00000000 0.00000000 7.01106839 1 Os Os3 1 1.52551863 0.00000000 5.07022091 1 [/CIF]
CdGe2Os
Cmm2
35
orthorhombic
mm2
10,092.97984
false
[CIF] data_NaSrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16401644 _cell_length_b 5.16401644 _cell_length_c 5.16401644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrSi2 _chemical_formula_sum 'Na1 Sr1 Si2' _cell_volume 97.37508499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.82575552 1.82575552 1.82575552 1 Si Si2 1 5.47726656 5.47726656 5.47726656 1 Sr Sr3 1 3.65151104 3.65151104 3.65151104 1 [/CIF]
NaSi2Sr
Fm-3m
225
cubic
m-3m
2,844.115443
false
[CIF] data_LaGaSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32548816 _cell_length_b 5.32548816 _cell_length_c 5.32548816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaSnHg _chemical_formula_sum 'La1 Ga1 Sn1 Hg1' _cell_volume 106.79803749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.64853318 5.64853319 5.64853319 1 La La2 1 3.76568879 3.76568879 3.76568879 1 Sn Sn3 1 1.88284440 1.88284440 1.88284440 1 [/CIF]
GaHgLaSn
F-43m
216
cubic
-43m
8,208.445299
false
[CIF] data_AlCdRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72222068 _cell_length_b 2.72222068 _cell_length_c 8.65844743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdRe2 _chemical_formula_sum 'Al1 Cd1 Re2' _cell_volume 64.16329853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 0.00000000 4.32922372 1 Re Re2 1 1.36111034 1.36111034 6.66876097 1 Re Re3 1 1.36111034 1.36111034 1.98968646 1 [/CIF]
AlCdRe2
P4/mmm
123
tetragonal
4/mmm
13,245.49659
false
[CIF] data_HfP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12018502 _cell_length_b 4.12018502 _cell_length_c 3.29545238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP2 _chemical_formula_sum 'Hf1 P2' _cell_volume 48.44836329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 P P1 1 2.06009251 1.18939497 1.64772619 1 P P2 1 0.00000000 2.37878993 1.64772619 1 [/CIF]
HfP2
P6/mmm
191
hexagonal
6/mmm
8,240.854271
false
[CIF] data_SrMoN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01343586 _cell_length_b 4.01343586 _cell_length_c 4.01343586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMoN3 _chemical_formula_sum 'Sr1 Mo1 N3' _cell_volume 64.64708997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Mo Mo1 1 2.00671793 2.00671793 2.00671793 1 N N2 1 2.00671793 0.00000000 2.00671793 1 N N3 1 2.00671793 2.00671793 0.00000000 1 N N4 1 0.00000000 2.00671793 2.00671793 1 [/CIF]
MoN3Sr
Pm-3m
221
cubic
m-3m
5,794.812723
false
[CIF] data_CoAg4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32683931 _cell_length_b 5.32683931 _cell_length_c 5.32683931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAg4Mo _chemical_formula_sum 'Co1 Ag4 Mo1' _cell_volume 106.87934676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70915425 2.82413415 4.70915425 1 Ag Ag1 1 2.82413415 4.70915425 4.70915425 1 Ag Ag2 1 2.82413415 2.82413415 2.82413415 1 Ag Ag3 1 4.70915425 4.70915425 2.82413415 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 Mo Mo5 1 5.64996630 5.64996630 5.64996630 1 [/CIF]
Ag4CoMo
F-43m
216
cubic
-43m
9,110.119696
false
[CIF] data_Be2InPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47469359 _cell_length_b 4.47469359 _cell_length_c 3.82711330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2InPb _chemical_formula_sum 'Be2 In1 Pb1' _cell_volume 76.62984078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23734680 0.00000000 1.91355665 1 Be Be1 1 0.00000000 2.23734680 1.91355665 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.23734680 2.23734680 0.00000000 1 [/CIF]
Be2InPb
P4/mmm
123
tetragonal
4/mmm
7,368.586754
false
[CIF] data_KCaNbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36720585 _cell_length_b 5.36720585 _cell_length_c 5.36720585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaNbHg _chemical_formula_sum 'K1 Ca1 Nb1 Hg1' _cell_volume 109.32758579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69278148 5.69278148 5.69278148 1 Hg Hg1 1 3.79518765 3.79518765 3.79518765 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.89759383 1.89759383 1.89759383 1 [/CIF]
CaHgKNb
F-43m
216
cubic
-43m
5,660.397051
false
[CIF] data_VPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77494882 _cell_length_b 4.77494882 _cell_length_c 4.77494882 _cell_angle_alpha 131.77882091 _cell_angle_beta 131.77882091 _cell_angle_gamma 70.57858031 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPd2Pt _chemical_formula_sum 'V1 Pd2 Pt1' _cell_volume 59.31565775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95056261 -0.00000000 1.94876546 1 Pd Pd1 1 0.00000000 -0.00000000 3.89753092 1 Pt Pt2 1 -0.00000000 1.95056261 1.94876546 1 V V3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Pd2PtV
I-4m2
119
tetragonal
-42m
12,845.918227
false
[CIF] data_BMo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93063883 _cell_length_b 4.41102311 _cell_length_c 4.41102311 _cell_angle_alpha 40.34111565 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMo2P _chemical_formula_sum 'B1 Mo2 P1' _cell_volume 49.50763439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.87512262 1 Mo Mo1 1 0.00000000 -0.00000000 8.16227321 1 Mo Mo2 1 1.96531942 0.00000000 2.15653605 1 P P3 1 1.96531942 -0.00000000 4.50855083 1 [/CIF]
BMo2P
Amm2
38
orthorhombic
mm2
7,839.117571
false
[CIF] data_TlAgHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81913182 _cell_length_b 4.81913182 _cell_length_c 4.81913182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgHgRh _chemical_formula_sum 'Tl1 Ag1 Hg1 Rh1' _cell_volume 79.13915707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11146118 5.11146118 5.11146119 1 Hg Hg1 1 1.70382039 1.70382039 1.70382040 1 Rh Rh2 1 -0.00000000 -0.00000000 -0.00000000 1 Tl Tl3 1 3.40764079 3.40764079 3.40764079 1 [/CIF]
AgHgRhTl
F-43m
216
cubic
-43m
12,919.92468
false
[CIF] data_SrTaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33408765 _cell_length_b 5.33408765 _cell_length_c 3.64437581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaTe2 _chemical_formula_sum 'Sr1 Ta1 Te2' _cell_volume 103.69157015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ta Ta1 1 2.66704382 2.66704382 0.00000000 1 Te Te2 1 2.66704382 0.00000000 1.82218791 1 Te Te3 1 0.00000000 2.66704382 1.82218791 1 [/CIF]
SrTaTe2
P4/mmm
123
tetragonal
4/mmm
8,387.732003
false
[CIF] data_Ti2NbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31261929 _cell_length_b 3.31261929 _cell_length_c 5.67635630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NbP _chemical_formula_sum 'Ti2 Nb1 P1' _cell_volume 62.28919252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 2.83817815 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.65630965 1.65630965 1.30198726 1 Ti Ti3 1 1.65630965 1.65630965 4.37436904 1 [/CIF]
NbPTi2
P4/mmm
123
tetragonal
4/mmm
5,854.59287
false
[CIF] data_Be3ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94495995 _cell_length_b 3.94495995 _cell_length_c 3.94495995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3ZnRu _chemical_formula_sum 'Be3 Zn1 Ru1' _cell_volume 61.39426375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97247997 1.97247997 1.97247997 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Be Be2 1 0.00000000 1.97247997 0.00000000 1 Be Be3 1 0.00000000 0.00000000 1.97247997 1 Be Be4 1 1.97247997 0.00000000 0.00000000 1 [/CIF]
Be3RuZn
Pm-3m
221
cubic
m-3m
5,233.25713
false