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_CdGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92963711 _cell_length_b 4.92963711 _cell_length_c 5.21952370 _cell_angle_alpha 102.40633467 _cell_angle_beta 102.40633467 _cell_angle_gamma 33.40478730 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGeMo2 _chemical_formula_sum 'Cd1 Ge1 Mo2' _cell_volume 68.05312352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13627107 0.00000000 2.54326147 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.58613162 0.00000000 3.88050550 1 Mo Mo3 1 6.68641051 -0.00000000 1.20601744 1 [/CIF]
CdGeMo2
C2/m
12
monoclinic
2/m
9,198.329776
false
[CIF] data_HfSc2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10305400 _cell_length_b 3.10305400 _cell_length_c 8.65523645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Si _chemical_formula_sum 'Hf1 Sc2 Si1' _cell_volume 83.34078827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.55152700 1.55152700 6.20245530 1 Sc Sc1 1 0.00000000 0.00000000 8.49684960 1 Sc Sc2 1 1.55152700 1.55152700 2.57946040 1 Si Si3 1 0.00000000 0.00000000 4.35932573 1 [/CIF]
HfSc2Si
P4mm
99
tetragonal
4mm
5,907.895253
false
[CIF] data_ScSn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32165047 _cell_length_b 3.32165047 _cell_length_c 9.31660036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSn2Hg _chemical_formula_sum 'Sc1 Sn2 Hg1' _cell_volume 102.79342278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.65830018 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.66082523 1.66082523 2.07527096 1 Sn Sn3 1 1.66082523 1.66082523 7.24132940 1 [/CIF]
HgScSn2
P4/mmm
123
tetragonal
4/mmm
7,801.917329
false
[CIF] data_RbCo2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61441459 _cell_length_b 4.61441459 _cell_length_c 4.61441459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCo2Ge _chemical_formula_sum 'Rb1 Co2 Ge1' _cell_volume 69.47600508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63144192 1.63144192 1.63144192 1 Co Co1 1 4.89432577 4.89432577 4.89432577 1 Ge Ge2 1 -0.00000000 0.00000000 0.00000000 1 Rb Rb3 1 3.26288385 3.26288385 3.26288385 1 [/CIF]
Co2GeRb
Fm-3m
225
cubic
m-3m
6,596.031584
false
[CIF] data_YRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60737998 _cell_length_b 4.60737998 _cell_length_c 4.60737998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRuAu _chemical_formula_sum 'Y1 Ru1 Au1' _cell_volume 69.15874375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88686445 4.88686445 4.88686445 1 Ru Ru1 1 3.25790963 3.25790963 3.25790963 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRuY
F-43m
216
cubic
-43m
9,290.698014
false
[CIF] data_Nd2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98706359 _cell_length_b 8.98706359 _cell_length_c 5.64520700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 155.39463144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Mg _chemical_formula_sum 'Nd4 Mg2' _cell_volume 189.84131911 _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 Nd Nd0 1 1.91492900 -7.23951343 4.23390525 1 Nd Nd1 1 1.91492900 4.78246815 4.23390525 1 Nd Nd2 1 1.91492900 7.23951343 1.41130175 1 Nd Nd3 1 1.91492900 -4.78246815 1.41130175 1 Mg Mg4 1 1.91492900 -1.19872101 4.23390525 1 Mg Mg5 1 1.91492900 1.19872101 1.41130175 1 [/CIF]
Mg2Nd4
Cmcm
63
orthorhombic
mmm
5,471.92104
false
[CIF] data_BeIr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73836415 _cell_length_b 3.59985211 _cell_length_c 5.54907399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeIr2Pt _chemical_formula_sum 'Be1 Ir2 Pt1' _cell_volume 54.70113976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.36918208 1.79992606 1.25930225 1 Ir Ir2 1 1.36918208 1.79992606 4.28977174 1 Pt Pt3 1 0.00000000 0.00000000 2.77453700 1 [/CIF]
BeIr2Pt
Pmmm
47
orthorhombic
mmm
17,865.758617
false
[CIF] data_Sc4MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42323188 _cell_length_b 5.42323188 _cell_length_c 5.42323188 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4MoOs _chemical_formula_sum 'Sc4 Mo1 Os1' _cell_volume 112.78712447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.91740202 1.91740202 1.91740202 1 Sc Sc2 1 2.87737140 2.87737140 4.79223668 1 Sc Sc3 1 2.87737140 4.79223668 2.87737140 1 Sc Sc4 1 4.79223668 2.87737140 2.87737140 1 Sc Sc5 1 4.79223668 4.79223668 4.79223668 1 [/CIF]
MoOsSc4
F-43m
216
cubic
-43m
6,861.012476
false
[CIF] data_Ta2NbGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42724655 _cell_length_b 3.42724655 _cell_length_c 5.93215192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbGe _chemical_formula_sum 'Ta2 Nb1 Ge1' _cell_volume 69.67916845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97318155 1 Nb Nb1 1 1.71362327 1.71362327 4.36152145 1 Ta Ta2 1 0.00000000 0.00000000 0.00061831 1 Ta Ta3 1 1.71362327 1.71362327 1.56290663 1 [/CIF]
GeNbTa2
P4mm
99
tetragonal
4mm
12,569.586992
false
[CIF] data_Mn2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87473049 _cell_length_b 2.87473049 _cell_length_c 5.80378149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrOs _chemical_formula_sum 'Mn2 Cr1 Os1' _cell_volume 47.96288778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59665774 1 Mn Mn1 1 1.43736525 1.43736525 5.65520109 1 Mn Mn2 1 0.00000000 0.00000000 1.38271768 1 Os Os3 1 1.43736525 1.43736525 2.87487722 1 [/CIF]
CrMn2Os
P4mm
99
tetragonal
4mm
12,190.246855
false
[CIF] data_ZrZn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58501679 _cell_length_b 4.58501679 _cell_length_c 3.20916665 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.10210031 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn2Os _chemical_formula_sum 'Zr1 Zn2 Os1' _cell_volume 64.48119614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72398745 0.00000000 0.00000000 1 Zn Zn1 1 1.36199373 -1.84406286 1.60458332 1 Zn Zn2 1 1.36199373 1.84406286 1.60458332 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsZn2Zr
Cmmm
65
orthorhombic
mmm
10,615.458332
false
[CIF] data_ZrFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98825487 _cell_length_b 2.98825487 _cell_length_c 8.28230825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeAs2 _chemical_formula_sum 'Zr1 Fe1 As2' _cell_volume 73.95825614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.94096650 1 As As1 1 1.49412744 1.49412744 2.85044641 1 Fe Fe2 1 0.00000000 0.00000000 4.03764548 1 Zr Zr3 1 1.49412744 1.49412744 5.87671223 1 [/CIF]
As2FeZr
P4mm
99
tetragonal
4mm
6,666.948936
false
[CIF] data_BIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25325688 _cell_length_b 5.25325688 _cell_length_c 5.25325688 _cell_angle_alpha 149.64579083 _cell_angle_beta 149.64579083 _cell_angle_gamma 43.46159294 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrPt _chemical_formula_sum 'B1 Ir1 Pt1' _cell_volume 36.92169589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18508481 1 Ir Ir1 1 0.00000000 -0.00000000 6.13709276 1 Pt Pt2 1 -0.00000000 0.00000000 3.43767721 1 [/CIF]
BIrPt
I4mm
107
tetragonal
4mm
17,904.936004
false
[CIF] data_B5C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54700600 _cell_length_b 5.54700600 _cell_length_c 4.75173487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B5C4 _chemical_formula_sum 'B10 C8' _cell_volume 126.61935711 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.24250276 3.88412872 3.56380115 1 B B1 1 1.06200048 0.00000000 3.56380115 1 B B2 1 -0.53100024 0.91971940 3.56380115 1 B B3 1 0.53100024 0.91971940 1.18793372 1 B B4 1 4.48500552 0.00000000 1.18793372 1 B B5 1 -2.24250276 3.88412872 1.18793372 1 B B6 1 -0.00000000 3.20256541 2.37586743 1 B B7 1 2.77350300 1.60128270 0.00000000 1 B B8 1 2.77350300 1.60128270 2.37586743 1 B B9 1 -0.00000000 3.20256541 0.00000000 1 C C10 1 0.00000000 0.00000000 2.37586743 1 C C11 1 0.00000000 0.00000000 0.00000000 1 C C12 1 1.48953558 2.57995131 3.56380115 1 C C13 1 2.56793484 0.00000000 3.56380115 1 C C14 1 -1.28396742 2.22389681 3.56380115 1 C C15 1 1.28396742 2.22389681 1.18793372 1 C C16 1 2.97907116 0.00000000 1.18793372 1 C C17 1 -1.48953558 2.57995131 1.18793372 1 [/CIF]
C8B10
P6_3/mcm
193
hexagonal
6/mmm
2,677.906274
false
[CIF] data_ReMoAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44476778 _cell_length_b 4.44476778 _cell_length_c 4.44476778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoAsPd _chemical_formula_sum 'Re1 Mo1 As1 Pd1' _cell_volume 62.09151124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14292544 3.14292544 3.14292544 1 Re Re1 1 1.57146272 1.57146272 1.57146272 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.71438816 4.71438816 4.71438816 1 [/CIF]
AsMoPdRe
F-43m
216
cubic
-43m
12,395.802948
false
[CIF] data_Na2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24125142 _cell_length_b 5.02682888 _cell_length_c 5.45588645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2OsBr _chemical_formula_sum 'Na2 Os1 Br1' _cell_volume 88.89393774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62062571 0.00000000 2.72794323 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 0.00000000 2.51341444 2.72794323 1 Os Os3 1 1.62062571 2.51341444 0.00000000 1 [/CIF]
BrNa2Os
Pmmm
47
orthorhombic
mmm
5,905.002001
false
[CIF] data_Hf2ScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71077071 _cell_length_b 5.71077071 _cell_length_c 5.71077071 _cell_angle_alpha 145.58687612 _cell_angle_beta 130.38410946 _cell_angle_gamma 61.77776517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScRh _chemical_formula_sum 'Hf2 Sc1 Rh1' _cell_volume 79.35077753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.68934565 -0.00000000 0.01662208 1 Hf Hf1 1 -0.00000000 -0.00000000 2.75117038 1 Rh Rh2 1 1.68934565 -0.00000000 4.87056846 1 Sc Sc3 1 0.00000000 -0.00000000 7.06398165 1 [/CIF]
Hf2RhSc
Imm2
44
orthorhombic
mm2
10,564.59575
false
[CIF] data_BeAlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03199597 _cell_length_b 4.03199597 _cell_length_c 2.78935592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlPd _chemical_formula_sum 'Be1 Al1 Pd1' _cell_volume 39.27125179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.01599801 1.16393697 1.39467796 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000002 2.32787395 0.00000000 1 [/CIF]
AlBePd
P-6m2
187
hexagonal
-6m2
6,021.798025
false
[CIF] data_NaSrCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02304102 _cell_length_b 5.02304102 _cell_length_c 5.02304102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrCu2 _chemical_formula_sum 'Na1 Sr1 Cu2' _cell_volume 89.61592203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55182637 3.55182637 3.55182637 1 Cu Cu1 1 1.77591319 1.77591319 1.77591319 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.32773956 5.32773956 5.32773956 1 [/CIF]
Cu2NaSr
F-43m
216
cubic
-43m
4,404.49716
false
[CIF] data_LaGaMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98023920 _cell_length_b 4.98023920 _cell_length_c 4.98023920 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaMoAu _chemical_formula_sum 'La1 Ga1 Mo1 Au1' _cell_volume 87.34450926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28234136 5.28234137 5.28234136 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 1.76078046 1.76078046 1.76078046 1 Mo Mo3 1 3.52156091 3.52156091 3.52156091 1 [/CIF]
AuGaLaMo
F-43m
216
cubic
-43m
9,535.25005
false
[CIF] data_AlPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46112107 _cell_length_b 5.46112107 _cell_length_c 5.46112107 _cell_angle_alpha 140.69267375 _cell_angle_beta 121.83454800 _cell_angle_gamma 72.46866269 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPbAu2 _chemical_formula_sum 'Al1 Pb1 Au2' _cell_volume 85.90886779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 0.00000000 2.65449764 2.56101899 1 Au Au2 1 1.83675934 -0.00000000 1.84395556 1 Pb Pb3 1 0.00000000 -0.00000000 4.40497455 1 [/CIF]
AlAu2Pb
Immm
71
orthorhombic
mmm
12,140.876555
false
[CIF] data_Ru2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28509208 _cell_length_b 7.28509208 _cell_length_c 4.41824966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.98271395 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru2W _chemical_formula_sum 'Ru4 W2' _cell_volume 87.90628376 _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 Ru Ru0 1 1.39113985 3.19884866 1.10456241 1 Ru Ru1 1 1.39113984 6.28998808 3.31368725 1 Ru Ru2 1 1.39113985 -6.28998808 1.10456241 1 Ru Ru3 1 1.39113985 -3.19884866 3.31368725 1 W W4 1 1.39113984 -1.56289752 1.10456241 1 W W5 1 1.39113984 1.56289752 3.31368725 1 [/CIF]
Ru4W2
Cmcm
63
orthorhombic
mmm
14,582.23102
false
[CIF] data_NaTl2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83204061 _cell_length_b 3.83204061 _cell_length_c 6.82083540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTl2Re _chemical_formula_sum 'Na1 Tl2 Re1' _cell_volume 100.16079777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49945368 1 Re Re1 1 1.91602030 1.91602030 5.62518975 1 Tl Tl2 1 0.00000000 0.00000000 6.26399399 1 Tl Tl3 1 1.91602030 1.91602030 1.66345108 1 [/CIF]
NaReTl2
P4mm
99
tetragonal
4mm
10,245.049353
false
[CIF] data_MnNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48427069 _cell_length_b 4.48427069 _cell_length_c 4.48427069 _cell_angle_alpha 129.60796459 _cell_angle_beta 129.60796459 _cell_angle_gamma 74.03428013 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi2Sn _chemical_formula_sum 'Mn1 Ni2 Sn1' _cell_volume 52.19475964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90902758 -0.00000000 1.79024517 1 Ni Ni2 1 0.00000000 -0.00000000 3.58049033 1 Sn Sn3 1 -0.00000000 1.90902758 1.79024517 1 [/CIF]
MnNi2Sn
I-4m2
119
tetragonal
-42m
9,259.066105
false
[CIF] data_ReSe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02254050 _cell_length_b 3.02254050 _cell_length_c 9.31156615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSe2Br _chemical_formula_sum 'Re1 Se2 Br1' _cell_volume 85.06815046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29849568 1 Re Re1 1 1.51127025 1.51127025 7.10514213 1 Se Se2 1 0.00000000 0.00000000 8.60201615 1 Se Se3 1 1.51127025 1.51127025 2.27326142 1 [/CIF]
BrReSe2
P4mm
99
tetragonal
4mm
8,277.128833
false
[CIF] data_SnMoRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79394431 _cell_length_b 4.79394431 _cell_length_c 4.79394431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoRuPb _chemical_formula_sum 'Sn1 Mo1 Ru1 Pb1' _cell_volume 77.90475319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.08474580 5.08474579 5.08474579 1 Ru Ru2 1 1.69491527 1.69491527 1.69491527 1 Sn Sn3 1 3.38983053 3.38983053 3.38983053 1 [/CIF]
MoPbRuSn
F-43m
216
cubic
-43m
11,146.461082
false
[CIF] data_MgFeCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20500312 _cell_length_b 4.20500312 _cell_length_c 4.20500312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeCoW _chemical_formula_sum 'Mg1 Fe1 Co1 W1' _cell_volume 52.57556746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48669311 1.48669311 1.48669311 1 Fe Fe1 1 4.46007933 4.46007933 4.46007933 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.97338622 2.97338622 2.97338622 1 [/CIF]
CoFeMgW
F-43m
216
cubic
-43m
10,199.159167
false
[CIF] data_K2HfGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12255866 _cell_length_b 3.12255866 _cell_length_c 12.56517581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HfGa _chemical_formula_sum 'K2 Hf1 Ga1' _cell_volume 122.51514575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 6.28258791 1 K K2 1 1.56127933 1.56127933 9.64599760 1 K K3 1 1.56127933 1.56127933 2.91917821 1 [/CIF]
GaHfK2
P4/mmm
123
tetragonal
4/mmm
4,424.072544
false
[CIF] data_Na2TaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00169992 _cell_length_b 3.00169992 _cell_length_c 10.51492281 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.19102962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TaRu _chemical_formula_sum 'Na2 Ta1 Ru1' _cell_volume 86.42178294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.21785196 1 Na Na1 1 1.63064399 0.00000000 7.49632579 1 Ru Ru2 1 0.00000000 0.00000000 4.94910751 1 Ta Ta3 1 1.63064399 0.00000000 3.10909896 1 [/CIF]
Na2RuTa
Cmm2
35
orthorhombic
mm2
6,302.259786
false
[CIF] data_TiAlV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99369550 _cell_length_b 4.99369550 _cell_length_c 4.99369550 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlV4 _chemical_formula_sum 'Ti1 Al1 V4' _cell_volume 88.05442235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76553798 1.76553798 1.76553798 1 V V2 1 2.66455189 2.66455189 4.39760001 1 V V3 1 2.66455189 4.39760001 2.66455189 1 V V4 1 4.39760001 2.66455189 2.66455189 1 V V5 1 4.39760001 4.39760001 4.39760001 1 [/CIF]
AlTiV4
F-43m
216
cubic
-43m
5,254.140718
false
[CIF] data_LaYTaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11950034 _cell_length_b 5.11950034 _cell_length_c 5.11950034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYTaNb _chemical_formula_sum 'La1 Y1 Ta1 Nb1' _cell_volume 94.87848293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43005012 5.43005012 5.43005012 1 Nb Nb1 1 3.62003341 3.62003341 3.62003341 1 Ta Ta2 1 1.81001671 1.81001671 1.81001671 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNbTaY
F-43m
216
cubic
-43m
8,780.023333
false
[CIF] data_HfTiCrMoWC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69726966 _cell_length_b 12.69726966 _cell_length_c 12.69726966 _cell_angle_alpha 14.04512839 _cell_angle_beta 14.04512839 _cell_angle_gamma 14.04512839 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiCrMoWC5 _chemical_formula_sum 'Hf1 Ti1 Cr1 Mo1 W1 C5' _cell_volume 104.93503556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.00000000 0.00000000 37.55705672 1 C C1 1 -0.00000000 0.00000000 22.74099409 1 C C2 1 -0.00000000 -0.00000000 7.63185974 1 C C3 1 -0.00000000 0.00000000 30.27885862 1 C C4 1 -0.00000000 0.00000000 14.93218022 1 Cr Cr5 1 -0.00000000 -0.00000000 11.26847972 1 Hf Hf6 1 -0.00000000 -0.00000000 3.76589922 1 Mo Mo7 1 -0.00000000 0.00000000 34.00478906 1 Ti Ti8 1 -0.00000000 0.00000000 18.96966572 1 W W9 1 -0.00000000 -0.00000000 26.25693466 1 [/CIF]
C5CrHfMoTiW
R3m
160
trigonal
3m
9,782.77852
false
[CIF] data_Hf2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10525641 _cell_length_b 5.10525641 _cell_length_c 3.28182339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SnBr _chemical_formula_sum 'Hf2 Sn1 Br1' _cell_volume 85.53627326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.55262821 1.64091170 1 Hf Hf2 1 2.55262821 0.00000000 1.64091170 1 Sn Sn3 1 2.55262821 2.55262821 0.00000000 1 [/CIF]
BrHf2Sn
P4/mmm
123
tetragonal
4/mmm
10,785.898274
false
[CIF] data_CaRe4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38449939 _cell_length_b 5.38449939 _cell_length_c 5.38449939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRe4Br _chemical_formula_sum 'Ca1 Re4 Br1' _cell_volume 110.38777960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71112405 5.71112405 5.71112405 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.75311603 4.75311603 2.86171603 1 Re Re3 1 4.75311603 2.86171603 4.75311603 1 Re Re4 1 2.86171603 4.75311603 4.75311603 1 Re Re5 1 2.86171603 2.86171603 2.86171603 1 [/CIF]
BrCaRe4
F-43m
216
cubic
-43m
13,009.146442
false
[CIF] data_ScVCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52222685 _cell_length_b 4.52222685 _cell_length_c 4.52222685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVCoHg _chemical_formula_sum 'Sc1 V1 Co1 Hg1' _cell_volume 65.39462205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.19769727 3.19769727 3.19769727 1 Hg Hg1 1 1.59884864 1.59884864 1.59884864 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.79654591 4.79654591 4.79654591 1 [/CIF]
CoHgScV
F-43m
216
cubic
-43m
9,025.051059
false
[CIF] data_YAlReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61142349 _cell_length_b 4.61142349 _cell_length_c 4.61142349 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlReOs _chemical_formula_sum 'Y1 Al1 Re1 Os1' _cell_volume 69.34098783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.26076882 3.26076882 3.26076882 1 Re Re2 1 1.63038441 1.63038441 1.63038441 1 Y Y3 1 4.89115323 4.89115323 4.89115323 1 [/CIF]
AlOsReY
F-43m
216
cubic
-43m
11,789.908195
false
[CIF] data_Mg2MnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00562090 _cell_length_b 3.00562090 _cell_length_c 7.90664285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.47647790 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2MnPd _chemical_formula_sum 'Mg2 Mn1 Pd1' _cell_volume 71.35998085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31455448 1 Mg Mg1 1 2.07887172 0.00000000 5.74873057 1 Mn Mn2 1 0.00000000 0.00000000 3.72668747 1 Pd Pd3 1 2.07887172 0.00000000 2.06999175 1 [/CIF]
Mg2MnPd
Cmm2
35
orthorhombic
mm2
4,885.933787
false
[CIF] data_LiNO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08454987 _cell_length_b 4.66104918 _cell_length_c 7.35093587 _cell_angle_alpha 99.22246354 _cell_angle_beta 102.34271275 _cell_angle_gamma 105.15096922 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNO3 _chemical_formula_sum 'Li2 N2 O6' _cell_volume 128.44889648 _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 -2.71332927 2.84087590 6.93991616 1 Li Li1 1 -0.21499766 3.54725177 3.75241686 1 N N2 1 0.25311874 1.01787429 6.93485106 1 N N3 1 1.06235613 1.86123070 0.04601735 1 O O4 1 -1.77369876 2.80668900 5.12256076 1 O O5 1 1.02253921 1.02120245 4.46309258 1 O O6 1 2.27264713 1.45682449 4.66607532 1 O O7 1 3.21391113 0.10668068 1.71322665 1 O O8 1 0.25120203 1.90988200 2.54639331 1 O O9 1 -0.94491682 1.37260175 2.25955085 1 [/CIF]
Li2N2O6
P1
1
triclinic
1
1,782.613375
false
[CIF] data_TaCdInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65577458 _cell_length_b 4.65577458 _cell_length_c 4.65577458 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdInNi _chemical_formula_sum 'Ta1 Cd1 In1 Ni1' _cell_volume 71.36098527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93819467 4.93819467 4.93819467 1 In In1 1 1.64606489 1.64606489 1.64606489 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.29212978 3.29212978 3.29212978 1 [/CIF]
CdInNiTa
F-43m
216
cubic
-43m
10,863.868205
false
[CIF] data_BaHfScIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29453480 _cell_length_b 5.29453480 _cell_length_c 5.29453480 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfScIn _chemical_formula_sum 'Ba1 Hf1 Sc1 In1' _cell_volume 104.94661220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.61570219 5.61570219 5.61570219 1 Hf Hf1 1 3.74380146 3.74380146 3.74380146 1 In In2 1 1.87190073 1.87190073 1.87190073 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHfInSc
F-43m
216
cubic
-43m
7,525.133709
false
[CIF] data_ReMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82552710 _cell_length_b 4.82552710 _cell_length_c 4.82552710 _cell_angle_alpha 131.76647948 _cell_angle_beta 131.76647948 _cell_angle_gamma 70.59809814 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMo2Os _chemical_formula_sum 'Re1 Mo2 Os1' _cell_volume 61.24266672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.97169815 0.00000000 1.96917017 1 Mo Mo1 1 -0.00000000 1.97169815 1.96917017 1 Os Os2 1 0.00000000 -0.00000000 3.93834034 1 Re Re3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Mo2OsRe
I4/mmm
139
tetragonal
4/mmm
15,410.481823
false
[CIF] data_ZrSc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54762598 _cell_length_b 5.54762598 _cell_length_c 5.54762598 _cell_angle_alpha 135.48923142 _cell_angle_beta 135.48923142 _cell_angle_gamma 64.77098770 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Ge _chemical_formula_sum 'Zr1 Sc2 Ge1' _cell_volume 82.72459797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68476798 1 Sc Sc1 1 0.00000000 2.10108341 2.34238399 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.10108341 -0.00000000 2.34238399 1 [/CIF]
GeSc2Zr
I-4m2
119
tetragonal
-42m
5,094.067306
false
[CIF] data_BaZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28000445 _cell_length_b 3.28000445 _cell_length_c 6.63386213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnP2 _chemical_formula_sum 'Ba1 Zn1 P2' _cell_volume 71.36993600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31693107 1 P P1 1 1.64000223 1.64000223 4.91830153 1 P P2 1 1.64000223 1.64000223 1.71556060 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaP2Zn
P4/mmm
123
tetragonal
4/mmm
6,157.623236
false
[CIF] data_Na2LaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.16649859 _cell_length_b 12.16649859 _cell_length_c 12.16649859 _cell_angle_alpha 16.43144201 _cell_angle_beta 16.43144201 _cell_angle_gamma 16.43144201 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaSb _chemical_formula_sum 'Na2 La1 Sb1' _cell_volume 125.64946761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 17.99958668 1 Na Na1 1 -0.00000000 0.00000000 9.39500054 1 Na Na2 1 -0.00000000 0.00000000 26.60417281 1 Sb Sb3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
LaNa2Sb
R-3m
166
trigonal
-3m
4,052.512326
false
[CIF] data_CdPb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91982361 _cell_length_b 3.91982361 _cell_length_c 7.20962231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPb2Se _chemical_formula_sum 'Cd1 Pb2 Se1' _cell_volume 110.77597004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.60481116 1 Pb Pb1 1 1.95991180 1.95991180 5.53712173 1 Pb Pb2 1 1.95991180 1.95991180 1.67250058 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPb2Se
P4/mmm
123
tetragonal
4/mmm
9,081.121878
false
[CIF] data_AgSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29359244 _cell_length_b 4.94617291 _cell_length_c 5.16913805 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.60758792 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSb2Cl _chemical_formula_sum 'Ag1 Sb2 Cl1' _cell_volume 108.53975584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75997337 0.00000000 2.55545791 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.82351583 2.47308645 1.55947698 1 Sb Sb3 1 0.69643091 2.47308645 3.55143884 1 [/CIF]
AgClSb2
P2/m
10
monoclinic
2/m
5,918.245533
false
[CIF] data_ZrTcPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85232881 _cell_length_b 2.85232881 _cell_length_c 8.19377806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.55860069 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcPd2 _chemical_formula_sum 'Zr1 Tc1 Pd2' _cell_volume 66.63810933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98928274 0.00000000 8.13033724 1 Pd Pd1 1 0.00000000 0.00000000 6.08246621 1 Tc Tc2 1 1.98928274 0.00000000 4.25008720 1 Zr Zr3 1 0.00000000 0.00000000 2.02155458 1 [/CIF]
Pd2TcZr
Cmm2
35
orthorhombic
mm2
10,041.517781
false
[CIF] data_CdCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51077183 _cell_length_b 5.51077183 _cell_length_c 5.51077183 _cell_angle_alpha 151.88501400 _cell_angle_beta 126.30390711 _cell_angle_gamma 61.70106938 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCu2Mo _chemical_formula_sum 'Cd1 Cu2 Mo1' _cell_volume 63.04341394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73104139 1 Cu Cu1 1 1.33854118 0.00000000 2.31825788 1 Cu Cu2 1 -0.00000000 2.48880716 2.41278351 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCu2Mo
Immm
71
orthorhombic
mmm
8,835.965283
false
[CIF] data_MnTlCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53177002 _cell_length_b 4.53177002 _cell_length_c 4.53177002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlCrIr _chemical_formula_sum 'Mn1 Tl1 Cr1 Ir1' _cell_volume 65.80949943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.20444531 3.20444531 3.20444531 1 Mn Mn2 1 1.60222266 1.60222266 1.60222266 1 Tl Tl3 1 4.80666797 4.80666797 4.80666797 1 [/CIF]
CrIrMnTl
F-43m
216
cubic
-43m
12,705.439557
false
[CIF] data_Ta3Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65703596 _cell_length_b 7.65703596 _cell_length_c 5.30940434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ru5 _chemical_formula_sum 'Ta6 Ru10' _cell_volume 269.58629233 _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 Ru Ru0 1 -1.11653158 1.93388943 1.32735109 1 Ru Ru1 1 -2.71198640 4.69729823 3.98205326 1 Ru Ru2 1 2.23306317 0.00000000 1.32735109 1 Ru Ru3 1 1.11653158 1.93388943 3.98205326 1 Ru Ru4 1 -0.00000000 4.42079177 0.00000000 1 Ru Ru5 1 -0.00000000 4.42079177 2.65470217 1 Ru Ru6 1 3.82851798 2.21039589 0.00000000 1 Ru Ru7 1 3.82851798 2.21039589 2.65470217 1 Ru Ru8 1 5.42397280 0.00000000 3.98205326 1 Ru Ru9 1 2.71198640 4.69729823 1.32735109 1 Ta Ta10 1 -1.44362151 2.50042581 3.98205326 1 Ta Ta11 1 -2.38489647 4.13076185 1.32735109 1 Ta Ta12 1 2.88724303 0.00000000 3.98205326 1 Ta Ta13 1 1.44362151 2.50042581 1.32735109 1 Ta Ta14 1 4.76979293 0.00000000 1.32735109 1 Ta Ta15 1 2.38489647 4.13076185 3.98205326 1 [/CIF]
Ru10Ta6
P6_3/mcm
193
hexagonal
6/mmm
12,911.610647
false
[CIF] data_Cr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91518101 _cell_length_b 4.91518101 _cell_length_c 5.82371739 _cell_angle_alpha 106.99004713 _cell_angle_beta 106.99004713 _cell_angle_gamma 34.24011079 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Os _chemical_formula_sum 'Cr4 Os2' _cell_volume 75.37278272 _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 Cr Cr0 1 6.02851746 -0.00000000 5.02207138 1 Cr Cr1 1 1.58563951 0.00000000 0.52275228 1 Cr Cr2 1 7.03162225 0.00000000 2.31506834 1 Cr Cr3 1 0.58253471 0.00000000 3.22975532 1 Os Os4 1 4.28357447 -0.00000000 1.31717552 1 Os Os5 1 3.33058250 0.00000000 4.22764814 1 [/CIF]
Cr4Os2
C2/m
12
monoclinic
2/m
12,964.028651
false
[CIF] data_LaHo2Th _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71461598 _cell_length_b 5.71461598 _cell_length_c 5.71461598 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHo2Th _chemical_formula_sum 'La1 Ho2 Th1' _cell_volume 131.96116973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 6.06126557 6.06126557 6.06126557 1 Ho Ho1 1 2.02042186 2.02042186 2.02042186 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Th Th3 1 4.04084371 4.04084371 4.04084371 1 [/CIF]
Ho2LaTh
Fm-3m
225
cubic
m-3m
8,818.599476
false
[CIF] data_In2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10615117 _cell_length_b 5.10615117 _cell_length_c 3.26588271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2As _chemical_formula_sum 'In2 As1' _cell_volume 73.74261806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 2.94803775 0.89828075 1 In In2 1 2.55307559 1.47401888 2.36760196 1 [/CIF]
AsIn2
P-3m1
164
trigonal
-3m
6,858.039567
false
[CIF] data_ZrCuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06124648 _cell_length_b 4.98890255 _cell_length_c 3.27723203 _cell_angle_alpha 72.16857689 _cell_angle_beta 69.77703434 _cell_angle_gamma 38.05438878 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuIr _chemical_formula_sum 'Zr1 Cu1 Ir1' _cell_volume 47.78076506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.23754134 2.39450591 0.04962459 1 Ir Ir1 1 2.23754134 2.39450591 5.92550334 1 Zr Zr2 1 2.23754134 2.39450591 2.94284435 1 [/CIF]
CuIrZr
Fmm2
42
orthorhombic
mm2
12,058.941887
false
[CIF] data_K24Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.17710814 _cell_length_b 13.17710814 _cell_length_c 13.17710814 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural K24Tc5 _chemical_formula_sum 'K24 Tc5' _cell_volume 1761.32069970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.08779566 -1.08779566 4.04605075 1 K K1 1 -1.08779566 1.08779566 4.04605075 1 K K2 1 1.08779566 1.08779566 11.16956311 1 K K3 1 6.52001127 6.52001127 3.56175618 1 K K4 1 1.08779566 11.16956311 1.08779566 1 K K5 1 6.52001127 3.56175618 6.52001127 1 K K6 1 -1.08779566 4.04605075 1.08779566 1 K K7 1 1.08779566 4.04605075 -1.08779566 1 K K8 1 4.04605075 -1.08779566 1.08779566 1 K K9 1 4.04605075 1.08779566 -1.08779566 1 K K10 1 3.56175618 6.52001127 6.52001127 1 K K11 1 11.16956311 1.08779566 1.08779566 1 K K12 1 -2.27549239 2.27549239 9.32577412 1 K K13 1 2.27549239 -2.27549239 9.32577412 1 K K14 1 5.33231454 5.33231454 -1.71796719 1 K K15 1 2.27549239 2.27549239 5.88983974 1 K K16 1 5.33231454 -1.71796719 5.33231454 1 K K17 1 2.27549239 5.88983974 2.27549239 1 K K18 1 2.27549239 9.32577412 -2.27549239 1 K K19 1 -2.27549239 9.32577412 2.27549239 1 K K20 1 9.32577412 2.27549239 -2.27549239 1 K K21 1 9.32577412 -2.27549239 2.27549239 1 K K22 1 5.88983974 2.27549239 2.27549239 1 K K23 1 -1.71796719 5.33231454 5.33231454 1 Tc Tc24 1 5.99092353 -5.99092353 5.99092353 1 Tc Tc25 1 -5.99092353 5.99092353 5.99092353 1 Tc Tc26 1 5.99092353 5.99092353 -5.99092353 1 Tc Tc27 1 1.61688340 1.61688340 1.61688340 1 Tc Tc28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K24Tc5
I-43m
217
cubic
-43m
1,350.901148
false
[CIF] data_TcAgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06516729 _cell_length_b 5.06516729 _cell_length_c 5.12482093 _cell_angle_alpha 98.06346012 _cell_angle_beta 98.06346012 _cell_angle_gamma 31.59539049 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgAu2 _chemical_formula_sum 'Tc1 Ag1 Au2' _cell_volume 68.14983976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83654923 -0.00000000 3.82203829 1 Au Au1 1 -0.73766619 0.00000000 5.02119419 1 Au Au2 1 7.16214530 0.00000000 1.35761823 1 Tc Tc3 1 4.49283450 -0.00000000 2.47433855 1 [/CIF]
AgAu2Tc
Cm
8
monoclinic
m
14,636.840496
false
[CIF] data_ReSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78402801 _cell_length_b 4.78402801 _cell_length_c 5.10691556 _cell_angle_alpha 100.00889364 _cell_angle_beta 100.00889364 _cell_angle_gamma 35.01717786 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnPd2 _chemical_formula_sum 'Re1 Sn1 Pd2' _cell_volume 65.94604021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.89099388 -0.00000000 4.99123337 1 Pd Pd1 1 1.55702232 0.00000000 3.71711985 1 Re Re2 1 4.06298511 0.00000000 2.62054994 1 Sn Sn3 1 6.63140239 0.00000000 1.22457608 1 [/CIF]
Pd2ReSn
Cm
8
monoclinic
m
13,037.260809
false
[CIF] data_NbZn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05898616 _cell_length_b 9.05898616 _cell_length_c 9.05898616 _cell_angle_alpha 17.50400437 _cell_angle_beta 17.50400437 _cell_angle_gamma 17.50400437 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2Fe _chemical_formula_sum 'Nb1 Zn2 Fe1' _cell_volume 58.69616387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 -0.00000000 -0.00000000 13.37710122 1 Zn Zn2 1 0.00000000 0.00000000 19.84925581 1 Zn Zn3 1 0.00000000 0.00000000 6.90494663 1 [/CIF]
FeNbZn2
R-3m
166
trigonal
-3m
7,907.494046
false
[CIF] data_CdGaNiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41710657 _cell_length_b 4.41710657 _cell_length_c 4.41710657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaNiPd _chemical_formula_sum 'Cd1 Ga1 Ni1 Pd1' _cell_volume 60.93946470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56168300 1.56168300 1.56168301 1 Ga Ga1 1 3.12336601 3.12336601 3.12336601 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.68504901 4.68504901 4.68504902 1 [/CIF]
CdGaNiPd
F-43m
216
cubic
-43m
9,462.142083
false
[CIF] data_KAl4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39532231 _cell_length_b 5.39532231 _cell_length_c 5.39532231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl4Mo _chemical_formula_sum 'K1 Al4 Mo1' _cell_volume 111.05476143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.86704790 2.86704790 4.76309008 1 Al Al1 1 2.86704790 4.76309008 2.86704790 1 Al Al2 1 4.76309008 2.86704790 2.86704790 1 Al Al3 1 4.76309008 4.76309008 4.76309008 1 K K4 1 0.00000000 0.00000000 0.00000000 1 Mo Mo5 1 1.90753449 1.90753449 1.90753449 1 [/CIF]
Al4KMo
F-43m
216
cubic
-43m
3,633.209183
false
[CIF] data_Fe2BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24444339 _cell_length_b 4.24444339 _cell_length_c 4.24444339 _cell_angle_alpha 140.19244512 _cell_angle_beta 117.31339267 _cell_angle_gamma 76.87617056 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BAs _chemical_formula_sum 'Fe2 B1 As1' _cell_volume 42.42510811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 -0.00000000 3.32458931 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 2.20780986 1.99231666 1 Fe Fe3 1 1.44498485 -0.00000000 1.33227265 1 [/CIF]
AsBFe2
Immm
71
orthorhombic
mmm
7,727.215192
false
[CIF] data_Y2Ge2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22414136 _cell_length_b 7.22414136 _cell_length_c 4.13538611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Ge2P _chemical_formula_sum 'Y4 Ge4 P2' _cell_volume 215.81843343 _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 Ge Ge0 1 0.90963441 4.52170509 0.00000000 1 Ge Ge1 1 6.31450695 2.70243627 0.00000000 1 Ge Ge2 1 2.70243627 0.90963441 0.00000000 1 Ge Ge3 1 4.52170509 6.31450695 0.00000000 1 P P4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 3.61207068 3.61207068 0.00000000 1 Y Y6 1 2.32742611 5.93949679 2.06769305 1 Y Y7 1 4.89671525 1.28464457 2.06769305 1 Y Y8 1 1.28464457 2.32742611 2.06769305 1 Y Y9 1 5.93949679 4.89671525 2.06769305 1 [/CIF]
Ge4P2Y4
P4/mbm
127
tetragonal
4/mmm
5,448.464456
false
[CIF] data_SrCaInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11852306 _cell_length_b 6.11852306 _cell_length_c 6.11852306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaInPb _chemical_formula_sum 'Sr1 Ca1 In1 Pb1' _cell_volume 161.96635429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32644915 4.32644915 4.32644915 1 Pb Pb2 1 2.16322458 2.16322458 2.16322458 1 Sr Sr3 1 6.48967373 6.48967373 6.48967373 1 [/CIF]
CaInPbSr
F-43m
216
cubic
-43m
4,610.655035
false
[CIF] data_YNiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53790727 _cell_length_b 4.53790727 _cell_length_c 4.53790727 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiIr2 _chemical_formula_sum 'Y1 Ni1 Ir2' _cell_volume 66.07723354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.81317750 4.81317750 4.81317750 1 Ir Ir1 1 1.60439250 1.60439250 1.60439250 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.20878500 3.20878500 3.20878500 1 [/CIF]
Ir2NiY
Fm-3m
225
cubic
m-3m
13,370.142015
false
[CIF] data_SbPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96359163 _cell_length_b 2.96359163 _cell_length_c 7.51314409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPdRu2 _chemical_formula_sum 'Sb1 Pd1 Ru2' _cell_volume 65.98700802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 5.70010146 1 Ru Ru1 1 1.48179582 1.48179582 0.13782577 1 Ru Ru2 1 0.00000000 0.00000000 1.71632067 1 Sb Sb3 1 1.48179582 1.48179582 3.71546823 1 [/CIF]
PdRu2Sb
P4mm
99
tetragonal
4mm
10,828.846352
false
[CIF] data_NaTiTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46656896 _cell_length_b 4.46656896 _cell_length_c 4.46656896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiTcRh _chemical_formula_sum 'Na1 Ti1 Tc1 Rh1' _cell_volume 63.00965948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.15834120 3.15834120 3.15834120 1 Tc Tc2 1 1.57917060 1.57917060 1.57917060 1 Ti Ti3 1 4.73751180 4.73751180 4.73751180 1 [/CIF]
NaRhTcTi
F-43m
216
cubic
-43m
7,185.829112
false
[CIF] data_NbAgPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50083425 _cell_length_b 4.50083425 _cell_length_c 4.50083425 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAgPdRu _chemical_formula_sum 'Nb1 Ag1 Pd1 Ru1' _cell_volume 64.47094879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18257042 3.18257042 3.18257042 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.77385563 4.77385563 4.77385563 1 Ru Ru3 1 1.59128521 1.59128521 1.59128521 1 [/CIF]
AgNbPdRu
F-43m
216
cubic
-43m
10,515.422797
false
[CIF] data_LiRe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41459251 _cell_length_b 9.41459251 _cell_length_c 9.41459251 _cell_angle_alpha 16.64854064 _cell_angle_beta 16.64854064 _cell_angle_gamma 16.64854064 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Os _chemical_formula_sum 'Li1 Re2 Os1' _cell_volume 59.73508926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 -0.00000000 -0.00000000 13.92316156 1 Re Re2 1 -0.00000000 0.00000000 20.98447033 1 Re Re3 1 -0.00000000 -0.00000000 6.86185279 1 [/CIF]
LiOsRe2
R-3m
166
trigonal
-3m
15,833.54368
false
[CIF] data_Ba2LiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87102955 _cell_length_b 5.87102955 _cell_length_c 5.87102955 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiMo _chemical_formula_sum 'Ba2 Li1 Mo1' _cell_volume 143.09610143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.22716722 6.22716722 6.22716721 1 Ba Ba1 1 2.07572240 2.07572241 2.07572241 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.15144481 4.15144481 4.15144481 1 [/CIF]
Ba2LiMo
Fm-3m
225
cubic
m-3m
4,381.285172
false
[CIF] data_Mg5Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54226903 _cell_length_b 5.54226903 _cell_length_c 6.85902967 _cell_angle_alpha 107.89615387 _cell_angle_beta 107.89615387 _cell_angle_gamma 36.74177894 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Pt _chemical_formula_sum 'Mg5 Pt1' _cell_volume 119.24520355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.37519823 0.00000000 0.19561394 1 Mg Mg1 1 3.34346646 0.00000000 1.28120524 1 Mg Mg2 1 6.45187172 0.00000000 2.43798070 1 Mg Mg3 1 -0.91876227 -0.00000000 3.83419846 1 Mg Mg4 1 1.90144110 0.00000000 4.77335760 1 Pt Pt5 1 5.34671744 -0.00000000 5.86460640 1 [/CIF]
Mg5Pt
Cm
8
monoclinic
m
4,408.912038
false
[CIF] data_FePBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44303036 _cell_length_b 6.44303036 _cell_length_c 6.44303036 _cell_angle_alpha 155.78945411 _cell_angle_beta 149.46793645 _cell_angle_gamma 39.34074007 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePBr _chemical_formula_sum 'Fe1 P1 Br1' _cell_volume 55.62711222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.88219551 1 Fe Fe1 1 -0.00000000 0.00000000 9.53198546 1 P P2 1 -0.00000000 0.00000000 2.85400175 1 [/CIF]
BrFeP
Imm2
44
orthorhombic
mm2
4,976.883547
false
[CIF] data_YScBeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59809549 _cell_length_b 4.59809549 _cell_length_c 4.59809549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScBeRu _chemical_formula_sum 'Y1 Sc1 Be1 Ru1' _cell_volume 68.74149294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.87701675 4.87701675 4.87701675 1 Sc Sc2 1 3.25134450 3.25134450 3.25134450 1 Y Y3 1 1.62567225 1.62567225 1.62567225 1 [/CIF]
BeRuScY
F-43m
216
cubic
-43m
5,892.779335
false
[CIF] data_Mg2SnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04982156 _cell_length_b 5.04982156 _cell_length_c 5.04982156 _cell_angle_alpha 130.74212596 _cell_angle_beta 130.74212596 _cell_angle_gamma 72.22310829 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2SnRh _chemical_formula_sum 'Mg2 Sn1 Rh1' _cell_volume 72.27038933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 0.00000000 2.10446236 2.03980233 1 Rh Rh2 1 0.00000000 -0.00000000 4.07960465 1 Sn Sn3 1 2.10446236 -0.00000000 2.03980233 1 [/CIF]
Mg2RhSn
I-4m2
119
tetragonal
-42m
6,208.91372
false
[CIF] data_SrZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82608070 _cell_length_b 4.82608070 _cell_length_c 4.82608070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn2Rh _chemical_formula_sum 'Sr1 Zn2 Rh1' _cell_volume 79.48199175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 5.11883159 5.11883159 5.11883159 1 Sr Sr1 1 3.41255439 3.41255439 3.41255439 1 Zn Zn2 1 1.70627720 1.70627720 1.70627720 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhSrZn2
F-43m
216
cubic
-43m
6,712.301901
false
[CIF] data_SrZr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28367849 _cell_length_b 6.28367849 _cell_length_c 6.28367849 _cell_angle_alpha 148.46855240 _cell_angle_beta 133.86698428 _cell_angle_gamma 56.95211510 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2Be _chemical_formula_sum 'Sr1 Zr2 Be1' _cell_volume 92.86659525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32807473 1 Sr Sr1 1 0.00000000 2.46194127 2.30474181 1 Zr Zr2 1 0.00000000 -0.00000000 0.02642289 1 Zr Zr3 1 1.70730415 0.00000000 3.38767381 1 [/CIF]
BeSrZr2
Imm2
44
orthorhombic
mm2
4,990.207121
false
[CIF] data_BaOsRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76266237 _cell_length_b 4.76266237 _cell_length_c 4.76266237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOsRuPt _chemical_formula_sum 'Ba1 Os1 Ru1 Pt1' _cell_volume 76.38962673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.05156629 5.05156629 5.05156629 1 Os Os1 1 3.36771086 3.36771086 3.36771086 1 Pt Pt2 1 1.68385543 1.68385543 1.68385543 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOsPtRu
F-43m
216
cubic
-43m
13,558.077531
false
[CIF] data_HgPtCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13035677 _cell_length_b 6.13035677 _cell_length_c 6.13035677 _cell_angle_alpha 147.39447498 _cell_angle_beta 114.43867275 _cell_angle_gamma 75.16007167 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPtCl2 _chemical_formula_sum 'Hg1 Pt1 Cl2' _cell_volume 110.99875892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72087075 0.00000000 1.57314403 1 Cl Cl1 1 0.00000000 3.31912536 3.28517716 1 Hg Hg2 1 0.00000000 0.00000000 4.85832119 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2HgPt
Immm
71
orthorhombic
mmm
6,980.026851
false
[CIF] data_La2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43221248 _cell_length_b 5.43221248 _cell_length_c 5.43221248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SnPd _chemical_formula_sum 'La2 Sn1 Pd1' _cell_volume 113.34836198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.76173142 5.76173142 5.76173142 1 La La1 1 1.92057714 1.92057714 1.92057714 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.84115428 3.84115428 3.84115428 1 [/CIF]
La2PdSn
Fm-3m
225
cubic
m-3m
7,368.254362
false
[CIF] data_TiIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22580005 _cell_length_b 4.22580005 _cell_length_c 4.22580005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIrW _chemical_formula_sum 'Ti1 Ir1 W1' _cell_volume 53.35951007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.48213781 4.48213781 4.48213781 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.49404593 1.49404593 1.49404593 1 [/CIF]
IrTiW
F-43m
216
cubic
-43m
13,192.444278
false
[CIF] data_MgTiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99125621 _cell_length_b 4.13890951 _cell_length_c 6.11640628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiBi2 _chemical_formula_sum 'Mg1 Ti1 Bi2' _cell_volume 101.03965723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71203702 1 Bi Bi1 1 1.99562811 2.06945476 1.94286691 1 Mg Mg2 1 0.00000000 0.00000000 2.87474802 1 Ti Ti3 1 1.99562811 2.06945476 4.76136375 1 [/CIF]
Bi2MgTi
Pmm2
25
orthorhombic
mm2
8,055.10118
false
[CIF] data_Sn2RuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29228057 _cell_length_b 3.29228057 _cell_length_c 8.38525214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2RuPb _chemical_formula_sum 'Sn2 Ru1 Pb1' _cell_volume 90.88868138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19262607 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.64614028 1.64614028 1.61706233 1 Sn Sn3 1 1.64614028 1.64614028 6.76818981 1 [/CIF]
PbRuSn2
P4/mmm
123
tetragonal
4/mmm
9,969.779035
false
[CIF] data_ZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61012196 _cell_length_b 3.61012196 _cell_length_c 3.61012196 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPt _chemical_formula_sum 'Zn1 Pt1' _cell_volume 33.26983326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 2.55274172 2.55274172 2.55274172 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtZn
Fm-3m
225
cubic
m-3m
13,000.084614
false
[CIF] data_Y2CuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00530304 _cell_length_b 7.00530304 _cell_length_c 7.00530304 _cell_angle_alpha 33.45478754 _cell_angle_beta 33.45478754 _cell_angle_gamma 33.45478754 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CuRh _chemical_formula_sum 'Y2 Cu1 Rh1' _cell_volume 93.04502555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 -0.00000000 0.00000000 9.91066356 1 Y Y2 1 0.00000000 0.00000000 14.96781571 1 Y Y3 1 0.00000000 0.00000000 4.85351141 1 [/CIF]
CuRhY2
R-3m
166
trigonal
-3m
6,135.604973
false
[CIF] data_Ge2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46062981 _cell_length_b 5.46062981 _cell_length_c 5.46062981 _cell_angle_alpha 142.36753242 _cell_angle_beta 142.36753242 _cell_angle_gamma 54.27556172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2Se _chemical_formula_sum 'Ge2 Se1' _cell_volume 60.29566712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.43610132 1 Ge Ge1 1 0.00000000 0.00000000 3.28286112 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2Se
I4/mmm
139
tetragonal
4/mmm
6,175.581353
false
[CIF] data_VBiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77836668 _cell_length_b 4.77836668 _cell_length_c 4.77836668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBiCl _chemical_formula_sum 'V1 Bi1 Cl1' _cell_volume 77.14777787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.68940774 1.68940774 1.68940774 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 5.06822322 5.06822322 5.06822322 1 [/CIF]
BiClV
F-43m
216
cubic
-43m
6,357.688767
false
[CIF] data_LaYCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04070139 _cell_length_b 5.04070139 _cell_length_c 3.62401547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYCl2 _chemical_formula_sum 'La1 Y1 Cl2' _cell_volume 92.08141498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 2.52035069 1.81200774 1 Cl Cl1 1 2.52035069 0.00000000 1.81200774 1 La La2 1 2.52035069 2.52035069 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2LaY
P4/mmm
123
tetragonal
4/mmm
5,386.882683
false
[CIF] data_ZrSbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37866333 _cell_length_b 4.68230703 _cell_length_c 6.55385538 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.57519715 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbCl2 _chemical_formula_sum 'Zr1 Sb1 Cl2' _cell_volume 101.19438567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.82798899 2.34115351 6.33555760 1 Cl Cl1 1 2.28372017 0.00000000 0.78977738 1 Sb Sb2 1 0.87933847 2.34115351 3.63523706 1 Zr Zr3 1 -0.83435053 0.00000000 5.23101707 1 [/CIF]
Cl2SbZr
Pm
6
monoclinic
m
4,658.464326
false
[CIF] data_Fe2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83380763 _cell_length_b 3.73410628 _cell_length_c 4.12164564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BRh _chemical_formula_sum 'Fe2 B1 Rh1' _cell_volume 43.61417787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 1.86705314 2.06082282 1 Fe Fe2 1 1.41690382 0.00000000 2.06082282 1 Rh Rh3 1 1.41690382 1.86705314 0.00000000 1 [/CIF]
BFe2Rh
Pmmm
47
orthorhombic
mmm
8,581.986808
false
[CIF] data_HgPRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18400288 _cell_length_b 5.18400288 _cell_length_c 5.18400288 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPRh4 _chemical_formula_sum 'Hg1 P1 Rh4' _cell_volume 98.51008743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49846539 5.49846539 5.49846539 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.58336061 4.58336061 2.74792657 1 Rh Rh3 1 4.58336061 2.74792657 4.58336061 1 Rh Rh4 1 2.74792657 4.58336061 4.58336061 1 Rh Rh5 1 2.74792657 2.74792657 2.74792657 1 [/CIF]
HgPRh4
F-43m
216
cubic
-43m
10,841.885463
false
[CIF] data_KAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90850924 _cell_length_b 4.90850924 _cell_length_c 4.90850924 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAs2Pt _chemical_formula_sum 'K1 As2 Pt1' _cell_volume 83.62455912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47084017 3.47084017 3.47084017 1 As As1 1 1.73542008 1.73542008 1.73542008 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 5.20626026 5.20626026 5.20626026 1 [/CIF]
As2KPt
F-43m
216
cubic
-43m
7,625.622808
false
[CIF] data_SiMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39547998 _cell_length_b 4.39547998 _cell_length_c 4.39547998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMo2Pd _chemical_formula_sum 'Si1 Mo2 Pd1' _cell_volume 60.04874303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.66211055 4.66211055 4.66211055 1 Mo Mo1 1 3.10807370 3.10807370 3.10807370 1 Pd Pd2 1 1.55403685 1.55403685 1.55403685 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2PdSi
F-43m
216
cubic
-43m
9,026.705102
false
[CIF] data_Pt2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63529793 _cell_length_b 4.63529793 _cell_length_c 3.35844095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.54335867 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2BrCl _chemical_formula_sum 'Pt2 Br1 Cl1' _cell_volume 72.13324086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23321013 -0.00000000 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.61660506 1.66074826 1.67922047 1 Pt Pt3 1 1.61660507 -1.66074826 1.67922047 1 [/CIF]
BrClPt2
Cmmm
65
orthorhombic
mmm
11,637.408796
false
[CIF] data_SrCaSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77278069 _cell_length_b 6.77278069 _cell_length_c 6.77278069 _cell_angle_alpha 145.57992452 _cell_angle_beta 129.84542977 _cell_angle_gamma 62.24872835 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaSc2 _chemical_formula_sum 'Sr1 Ca1 Sc2' _cell_volume 133.40435575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 -0.00000000 2.87057792 3.01106182 1 Sc Sc2 1 2.00389921 -0.00000000 2.78675920 1 Sr Sr3 1 0.00000000 0.00000000 5.79782102 1 [/CIF]
CaSc2Sr
Immm
71
orthorhombic
mmm
2,708.679278
false
[CIF] data_Ba2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75703527 _cell_length_b 3.75703527 _cell_length_c 8.14289661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeTc _chemical_formula_sum 'Ba2 Be1 Tc1' _cell_volume 114.93954252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87851763 1.87851763 6.03623268 1 Ba Ba1 1 1.87851763 1.87851763 2.10666393 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 4.07144830 1 [/CIF]
Ba2BeTc
P4/mmm
123
tetragonal
4/mmm
5,527.054308
false
[CIF] data_MnAlCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14408551 _cell_length_b 4.14408551 _cell_length_c 4.14408551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlCo3 _chemical_formula_sum 'Mn1 Al1 Co3' _cell_volume 71.16822340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07204276 2.07204276 2.07204276 1 Co Co1 1 2.07204276 0.00000000 2.07204276 1 Co Co2 1 2.07204276 2.07204276 0.00000000 1 Co Co3 1 0.00000000 2.07204276 2.07204276 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCo3Mn
Pm-3m
221
cubic
m-3m
6,036.58861
false
[CIF] data_LiTlPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50845102 _cell_length_b 4.50845102 _cell_length_c 4.50845102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlPtRh _chemical_formula_sum 'Li1 Tl1 Pt1 Rh1' _cell_volume 64.79881594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.78193443 4.78193444 4.78193444 1 Rh Rh2 1 1.59397815 1.59397815 1.59397814 1 Tl Tl3 1 3.18795629 3.18795629 3.18795629 1 [/CIF]
LiPtRhTl
F-43m
216
cubic
-43m
13,051.711667
false
[CIF] data_Ti2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56059473 _cell_length_b 4.56059473 _cell_length_c 4.56059473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2PdAu _chemical_formula_sum 'Ti2 Pd1 Au1' _cell_volume 67.07326468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22482746 3.22482746 3.22482746 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.83724119 4.83724119 4.83724119 1 Ti Ti3 1 1.61241373 1.61241373 1.61241373 1 [/CIF]
AuPdTi2
Fm-3m
225
cubic
m-3m
9,881.065134
false
[CIF] data_Na2LiHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24407447 _cell_length_b 5.24407447 _cell_length_c 5.24407447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LiHf _chemical_formula_sum 'Na2 Li1 Hf1' _cell_volume 101.97449277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56218093 5.56218093 5.56218093 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.85406031 1.85406031 1.85406031 1 Na Na3 1 3.70812062 3.70812062 3.70812062 1 [/CIF]
HfLiNa2
F-43m
216
cubic
-43m
3,768.258407
false
[CIF] data_HfFe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89201330 _cell_length_b 3.89201330 _cell_length_c 3.50011481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2Ni _chemical_formula_sum 'Hf1 Fe2 Ni1' _cell_volume 53.01892533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 1.94600665 1.75005740 1 Fe Fe1 1 1.94600665 0.00000000 1.75005740 1 Hf Hf2 1 1.94600665 1.94600665 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2HfNi
P4/mmm
123
tetragonal
4/mmm
10,926.627899
false
[CIF] data_ZnGaNO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53757163 _cell_length_b 6.53757163 _cell_length_c 10.55413900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaNO _chemical_formula_sum 'Zn8 Ga8 N8 O8' _cell_volume 390.64868031 _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 Zn Zn0 1 -0.00000003 3.77446876 10.51731561 1 Zn Zn1 1 -1.57586696 2.86464156 7.78512343 1 Zn Zn2 1 -0.00000003 5.59412315 7.78512343 1 Zn Zn3 1 4.86277649 0.96694342 5.17338564 1 Zn Zn4 1 1.57586690 2.86464156 7.78512343 1 Zn Zn5 1 1.67479507 0.96694342 5.17338564 1 Zn Zn6 1 0.00000000 0.00000000 2.69268804 1 Zn Zn7 1 3.26878578 3.72781632 5.17338564 1 Ga Ga8 1 0.00000000 0.00000000 7.90729814 1 Ga Ga9 1 1.61037710 0.92975169 0.07744627 1 Ga Ga10 1 4.92719446 0.92975169 0.07744627 1 Ga Ga11 1 4.84352335 2.79640955 2.70381210 1 Ga Ga12 1 -0.00000003 3.77446876 5.23264713 1 Ga Ga13 1 1.69404822 2.79640955 2.70381210 1 Ga Ga14 1 3.26878578 0.06888407 2.70381210 1 Ga Ga15 1 3.26878578 3.80219978 0.07744627 1 N N16 1 -0.00000003 3.77446876 7.19785947 1 N N17 1 -0.00000003 5.60141542 4.59281301 1 N N18 1 -1.58218226 2.86099542 4.59281301 1 N N19 1 3.26878578 3.73250421 1.96792476 1 N N20 1 1.58218219 2.86099542 4.59281301 1 N N21 1 0.00000000 0.00000000 9.89424146 1 N N22 1 4.86683633 0.96459948 1.96792476 1 N N23 1 1.67073523 0.96459948 1.96792476 1 O O24 1 3.26878578 3.85067528 7.36913204 1 O O25 1 3.26878578 0.08549551 9.96197792 1 O O26 1 0.00000000 0.00000000 4.71114601 1 O O27 1 -0.00000003 3.77446876 1.98685888 1 O O28 1 1.56839609 0.90551394 7.36913204 1 O O29 1 1.70843414 2.78810383 9.96197792 1 O O30 1 4.82913742 2.78810383 9.96197792 1 O O31 1 4.96917547 0.90551394 7.36913204 1 [/CIF]
Ga8N8O8Zn8
P3m1
156
trigonal
3m
5,614.663286
false