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_KGa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45819960 _cell_length_b 4.62707729 _cell_length_c 6.98196435 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.77253421 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2Hg _chemical_formula_sum 'K1 Ga2 Hg1' _cell_volume 108.95641900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.86889493 2.31353864 2.13694051 1 Ga Ga1 1 0.04572489 2.31353864 4.67225824 1 Hg Hg2 1 0.95730991 0.00000000 3.40459938 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HgK
P2/m
10
monoclinic
2/m
5,778.157197
false
[CIF] data_FeReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69501994 _cell_length_b 2.69501994 _cell_length_c 9.04187790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.64052025 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReP2 _chemical_formula_sum 'Fe1 Re1 P2' _cell_volume 60.61152746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23680516 1 P P1 1 1.49452387 0.00000000 0.52265400 1 P P2 1 0.00000000 0.00000000 6.34645468 1 Re Re3 1 1.49452387 0.00000000 4.45690301 1 [/CIF]
FeP2Re
Cmm2
35
orthorhombic
mm2
8,328.499659
false
[CIF] data_Gd3Si2S8Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74280379 _cell_length_b 8.74280379 _cell_length_c 10.86200827 _cell_angle_alpha 98.46075846 _cell_angle_beta 98.46075846 _cell_angle_gamma 51.46348246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3Si2S8Br _chemical_formula_sum 'Gd6 Si4 S16 Br2' _cell_volume 640.71418566 _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 Gd Gd0 1 1.92828510 0.94122702 7.29302659 1 Gd Gd1 1 11.16228290 0.94122702 8.78119991 1 Gd Gd2 1 12.04931890 -0.94122702 3.42312441 1 Gd Gd3 1 2.81532110 -0.94122702 1.93495109 1 Gd Gd4 1 6.54528400 0.97940477 8.03711325 1 Gd Gd5 1 7.43232000 -0.97940477 2.67903775 1 Si Si6 1 10.31118580 -0.27879478 0.25696258 1 Si Si7 1 4.55345420 -0.27879478 5.10111292 1 Si Si8 1 3.66641820 0.27879478 10.45918842 1 Si Si9 1 9.42414980 0.27879478 5.61503808 1 S S10 1 9.86517852 -1.94147430 1.50794462 1 S S11 1 4.99946148 -1.94147430 3.85013088 1 S S12 1 4.11242548 1.94147430 9.20820638 1 S S13 1 8.97814252 1.94147430 6.86602012 1 S S14 1 12.17888624 0.50359866 0.93354821 1 S S15 1 2.68575376 0.50359866 4.42452729 1 S S16 1 1.79871776 -0.50359866 9.78260279 1 S S17 1 11.29185024 -0.50359866 6.29162371 1 S S18 1 8.86533103 1.26773829 0.37656555 1 S S19 1 5.99930897 1.26773829 4.98150995 1 S S20 1 5.11227297 -1.26773829 10.33958545 1 S S21 1 7.97829503 -1.26773829 5.73464105 1 S S22 1 8.68710953 -0.72150186 8.89724511 1 S S23 1 4.40345847 -0.72150186 7.17698139 1 S S24 1 5.29049447 0.72150186 1.81890589 1 S S25 1 9.57414553 0.72150186 3.53916961 1 Br Br26 1 7.43232000 3.68997976 2.67903775 1 Br Br27 1 6.54528400 -3.68997976 8.03711325 1 [/CIF]
Br2Gd6S16Si4
C2/c
15
monoclinic
2/m
4,480.246174
false
[CIF] data_SrTlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14437287 _cell_length_b 4.14437287 _cell_length_c 4.80238561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlRe2 _chemical_formula_sum 'Sr1 Tl1 Re2' _cell_volume 82.48494195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.07218643 0.00000000 2.40119280 1 Re Re1 1 0.00000000 2.07218643 2.40119280 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.07218643 2.07218643 0.00000000 1 [/CIF]
Re2SrTl
P4/mmm
123
tetragonal
4/mmm
13,375.664176
false
[CIF] data_B2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94738125 _cell_length_b 3.94738125 _cell_length_c 3.94738125 _cell_angle_alpha 139.21521304 _cell_angle_beta 139.21521304 _cell_angle_gamma 59.04684741 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2Ru _chemical_formula_sum 'B2 Ru1' _cell_volume 25.99312372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64840181 1 B B1 1 -0.00000000 0.00000000 2.22125981 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Ru
I4/mmm
139
tetragonal
4/mmm
7,838.029064
false
[CIF] data_ScTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88813427 _cell_length_b 4.88813427 _cell_length_c 3.44696229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTe2W _chemical_formula_sum 'Sc1 Te2 W1' _cell_volume 82.36122281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 2.44406713 1.72348115 1 Te Te2 1 2.44406713 0.00000000 1.72348115 1 W W3 1 2.44406713 2.44406713 0.00000000 1 [/CIF]
ScTe2W
P4/mmm
123
tetragonal
4/mmm
9,758.161579
false
[CIF] data_SrReAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92002088 _cell_length_b 4.09183482 _cell_length_c 6.97867265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrReAu2 _chemical_formula_sum 'Sr1 Re1 Au2' _cell_volume 83.38287742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46001044 2.04591741 2.09372609 1 Au Au1 1 1.46001044 2.04591741 4.88494656 1 Re Re2 1 0.00000000 0.00000000 3.48933633 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReSr
Pmmm
47
orthorhombic
mmm
13,298.195392
false
[CIF] data_MnCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97046711 _cell_length_b 2.97046711 _cell_length_c 6.90365377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdGa _chemical_formula_sum 'Mn1 Cd1 Ga1' _cell_volume 52.75445390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48523357 0.85749999 6.83121325 1 Ga Ga1 1 0.00000001 1.71499998 2.48152311 1 Mn Mn2 1 0.00000000 0.00000000 4.49457118 1 [/CIF]
CdGaMn
P3m1
156
trigonal
3m
7,462.258875
false
[CIF] data_VCuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84205247 _cell_length_b 4.84205247 _cell_length_c 4.84205247 _cell_angle_alpha 143.69402905 _cell_angle_beta 143.69402905 _cell_angle_gamma 52.28507214 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuP _chemical_formula_sum 'V1 Cu1 P1' _cell_volume 39.56856892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.64674488 1 P P1 1 0.00000000 -0.00000000 2.75261731 1 V V2 1 0.00000000 0.00000000 5.98749377 1 [/CIF]
CuPV
I4mm
107
tetragonal
4mm
6,104.443876
false
[CIF] data_GeAs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95853164 _cell_length_b 4.78255065 _cell_length_c 5.31714685 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.91402952 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAs2Pb _chemical_formula_sum 'Ge1 As2 Pb1' _cell_volume 100.42878770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85100617 0.00000000 0.17435164 1 As As1 1 2.91496803 2.39127533 1.80379200 1 Ge Ge2 1 1.77512391 0.00000000 1.86805639 1 Pb Pb3 1 0.81081167 2.39127533 4.11091758 1 [/CIF]
As2GePb
Pm
6
monoclinic
m
7,104.593774
false
[CIF] data_BaCrMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70694459 _cell_length_b 4.70694459 _cell_length_c 4.70694459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrMoPd _chemical_formula_sum 'Ba1 Cr1 Mo1 Pd1' _cell_volume 73.73985179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99246866 4.99246866 4.99246866 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.32831244 3.32831244 3.32831244 1 Pd Pd3 1 1.66415622 1.66415622 1.66415622 1 [/CIF]
BaCrMoPd
F-43m
216
cubic
-43m
8,820.71613
false
[CIF] data_SiPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81900515 _cell_length_b 2.81900515 _cell_length_c 7.55283739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPt2W _chemical_formula_sum 'Si1 Pt2 W1' _cell_volume 60.02081291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.40950258 1.40950258 5.79439062 1 Pt Pt1 1 1.40950258 1.40950258 1.75844677 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.77641869 1 [/CIF]
Pt2SiW
P4/mmm
123
tetragonal
4/mmm
16,657.551439
false
[CIF] data_ZnSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30052303 _cell_length_b 4.30052303 _cell_length_c 4.30052303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSi2Ir _chemical_formula_sum 'Zn1 Si2 Ir1' _cell_volume 56.24045642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04092900 3.04092900 3.04092900 1 Si Si1 1 1.52046450 1.52046450 1.52046450 1 Si Si2 1 4.56139350 4.56139350 4.56139350 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSi2Zn
Fm-3m
225
cubic
m-3m
9,264.221079
false
[CIF] data_MnBe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41775326 _cell_length_b 4.41775326 _cell_length_c 4.41775326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Bi _chemical_formula_sum 'Mn1 Be2 Bi1' _cell_volume 60.96623436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.56191165 1.56191165 1.56191165 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 4.68573494 4.68573494 4.68573494 1 Mn Mn3 1 3.12382329 3.12382329 3.12382329 1 [/CIF]
Be2BiMn
F-43m
216
cubic
-43m
7,679.284342
false
[CIF] data_CrTc2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90656038 _cell_length_b 3.83110004 _cell_length_c 5.97323768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTc2Pb _chemical_formula_sum 'Cr1 Tc2 Pb1' _cell_volume 66.51393444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 2.98661884 1 Tc Tc2 1 1.45328019 1.91555002 4.80151406 1 Tc Tc3 1 1.45328019 1.91555002 1.17172362 1 [/CIF]
CrPbTc2
Pmmm
47
orthorhombic
mmm
11,409.345643
false
[CIF] data_Ca4TlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13128702 _cell_length_b 6.13128702 _cell_length_c 6.13128702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4TlIr _chemical_formula_sum 'Ca4 Tl1 Ir1' _cell_volume 162.98211273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24036654 3.24036654 5.43058272 1 Ca Ca1 1 3.24036654 5.43058272 3.24036654 1 Ca Ca2 1 5.43058272 3.24036654 3.24036654 1 Ca Ca3 1 5.43058272 5.43058272 5.43058272 1 Ir Ir4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.16773732 2.16773732 2.16773732 1 [/CIF]
Ca4IrTl
F-43m
216
cubic
-43m
5,674.086655
false
[CIF] data_GeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68755223 _cell_length_b 5.68755223 _cell_length_c 5.68755223 _cell_angle_alpha 131.58313665 _cell_angle_beta 131.58313665 _cell_angle_gamma 70.88821944 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBr3 _chemical_formula_sum 'Ge1 Br3' _cell_volume 100.81220010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33222207 0.00000000 2.31677205 1 Br Br1 1 0.00000000 0.00000000 4.63354409 1 Br Br2 1 0.00000000 2.33222207 2.31677205 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br3Ge
I4/mmm
139
tetragonal
4/mmm
5,144.939779
false
[CIF] data_AlVZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57857740 _cell_length_b 4.57857740 _cell_length_c 4.57857740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVZnHg _chemical_formula_sum 'Al1 V1 Zn1 Hg1' _cell_volume 67.86981788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.85631470 4.85631470 4.85631470 1 V V2 1 3.23754313 3.23754313 3.23754313 1 Zn Zn3 1 1.61877157 1.61877157 1.61877157 1 [/CIF]
AlHgVZn
F-43m
216
cubic
-43m
8,413.870011
false
[CIF] data_CuAgSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50687130 _cell_length_b 4.50687130 _cell_length_c 4.50687130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAgSnRu _chemical_formula_sum 'Cu1 Ag1 Sn1 Ru1' _cell_volume 64.73072511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78025889 4.78025889 4.78025889 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.18683926 3.18683926 3.18683926 1 Sn Sn3 1 1.59341963 1.59341963 1.59341963 1 [/CIF]
AgCuRuSn
F-43m
216
cubic
-43m
10,035.315541
false
[CIF] data_LaCuRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58704239 _cell_length_b 5.58704239 _cell_length_c 2.67758045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.40694306 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuRe2 _chemical_formula_sum 'La1 Cu1 Re2' _cell_volume 72.08444643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.77632083 -0.00000000 0.00000000 1 Re Re2 1 1.38816042 -2.42420530 1.33879022 1 Re Re3 1 1.38816041 2.42420530 1.33879022 1 [/CIF]
CuLaRe2
Cmmm
65
orthorhombic
mmm
13,242.614993
false
[CIF] data_ScCrCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73378111 _cell_length_b 4.73378111 _cell_length_c 4.73378111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrCuTe _chemical_formula_sum 'Sc1 Cr1 Cu1 Te1' _cell_volume 75.00833408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 3.34728873 3.34728873 3.34728873 1 Cu Cu2 1 1.67364436 1.67364436 1.67364436 1 Te Te3 1 5.02093309 5.02093309 5.02093309 1 [/CIF]
CrCuScTe
F-43m
216
cubic
-43m
6,377.93133
false
[CIF] data_CoSnMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40354152 _cell_length_b 4.40354152 _cell_length_c 4.40354152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnMoRh _chemical_formula_sum 'Co1 Sn1 Mo1 Rh1' _cell_volume 60.37974693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 3.11377407 3.11377407 3.11377407 1 Mo Mo1 1 1.55688703 1.55688703 1.55688703 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 4.67066110 4.67066110 4.67066110 1 [/CIF]
CoMoRhSn
F-43m
216
cubic
-43m
10,354.5879
false
[CIF] data_AlGeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39629335 _cell_length_b 4.39629335 _cell_length_c 4.39629335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGeOs2 _chemical_formula_sum 'Al1 Ge1 Os2' _cell_volume 60.08208473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 4.66297326 4.66297326 4.66297326 1 Os Os2 1 3.10864884 3.10864884 3.10864884 1 Os Os3 1 1.55432442 1.55432442 1.55432442 1 [/CIF]
AlGeOs2
F-43m
216
cubic
-43m
13,268.416926
false
[CIF] data_LaPtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92634100 _cell_length_b 4.92634100 _cell_length_c 4.92634100 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPtSe _chemical_formula_sum 'La1 Pt1 Se1' _cell_volume 84.53925454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74172456 1.74172456 1.74172456 1 Pt Pt1 1 3.48344913 3.48344913 3.48344913 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPtSe
F-43m
216
cubic
-43m
8,111.24644
false
[CIF] data_CdCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35844875 _cell_length_b 8.35844875 _cell_length_c 8.35844875 _cell_angle_alpha 20.92531882 _cell_angle_beta 20.92531882 _cell_angle_gamma 20.92531882 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo2Sn _chemical_formula_sum 'Cd1 Co2 Sn1' _cell_volume 65.22438001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 -0.00000000 1 Co Co1 1 -0.00000000 0.00000000 6.03916175 1 Co Co2 1 -0.00000000 0.00000000 18.47872095 1 Sn Sn3 1 -0.00000000 -0.00000000 12.25894135 1 [/CIF]
CdCo2Sn
R-3m
166
trigonal
-3m
8,884.824879
false
[CIF] data_Zr17Ga12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08310925 _cell_length_b 9.08310925 _cell_length_c 9.08310925 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr17Ga12 _chemical_formula_sum 'Zr17 Ga12' _cell_volume 576.87500564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31273462 -2.29058608 4.31273462 1 Ga Ga1 1 0.93140095 2.95354949 0.93140095 1 Ga Ga2 1 -0.93140095 7.53472165 0.93140095 1 Ga Ga3 1 0.93140095 7.53472165 -0.93140095 1 Ga Ga4 1 -0.93140095 0.93140095 7.53472165 1 Ga Ga5 1 0.93140095 -0.93140095 7.53472165 1 Ga Ga6 1 0.93140095 0.93140095 2.95354949 1 Ga Ga7 1 4.31273462 4.31273462 -2.29058608 1 Ga Ga8 1 7.53472165 0.93140095 -0.93140095 1 Ga Ga9 1 7.53472165 -0.93140095 0.93140095 1 Ga Ga10 1 -2.29058608 4.31273462 4.31273462 1 Ga Ga11 1 2.95354949 0.93140095 0.93140095 1 Zr Zr12 1 1.50872569 5.73251987 1.50872569 1 Zr Zr13 1 3.73540988 0.48838430 3.73540988 1 Zr Zr14 1 1.50872569 4.75575127 -1.50872569 1 Zr Zr15 1 -1.50872569 4.75575127 1.50872569 1 Zr Zr16 1 1.50872569 -1.50872569 4.75575127 1 Zr Zr17 1 -1.50872569 1.50872569 4.75575127 1 Zr Zr18 1 3.73540988 3.73540988 0.48838430 1 Zr Zr19 1 1.50872569 1.50872569 5.73251987 1 Zr Zr20 1 4.75575127 -1.50872569 1.50872569 1 Zr Zr21 1 4.75575127 1.50872569 -1.50872569 1 Zr Zr22 1 5.73251987 1.50872569 1.50872569 1 Zr Zr23 1 0.48838430 3.73540988 3.73540988 1 Zr Zr24 1 1.72321902 -1.72321902 1.72321902 1 Zr Zr25 1 3.52091655 3.52091655 3.52091655 1 Zr Zr26 1 1.72321902 1.72321902 -1.72321902 1 Zr Zr27 1 -1.72321902 1.72321902 1.72321902 1 Zr Zr28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga12Zr17
I-43m
217
cubic
-43m
6,872.39075
false
[CIF] data_Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07735906 _cell_length_b 4.07735906 _cell_length_c 4.07735906 _cell_angle_alpha 144.60733354 _cell_angle_beta 144.60733354 _cell_angle_gamma 50.92007456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe _chemical_formula_sum Fe2 _cell_volume 22.62022347 _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 Fe Fe0 1 0.00000000 0.00000000 1.09038710 1 Fe Fe1 1 -0.00000000 0.00000000 6.27238832 1 [/CIF]
Fe4
I4/mmm
139
tetragonal
4/mmm
8,199.105977
false
[CIF] data_Co2SnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62192484 _cell_length_b 4.62192484 _cell_length_c 4.62192484 _cell_angle_alpha 130.73856138 _cell_angle_beta 130.73856138 _cell_angle_gamma 72.22878063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2SnRh _chemical_formula_sum 'Co2 Sn1 Rh1' _cell_volume 55.41714986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92627140 1.86689222 1 Co Co1 1 1.92627140 0.00000000 1.86689222 1 Rh Rh2 1 0.00000000 -0.00000000 -0.00000000 1 Sn Sn3 1 0.00000000 -0.00000000 3.73378444 1 [/CIF]
Co2RhSn
I4/mmm
139
tetragonal
4/mmm
10,172.355348
false
[CIF] data_InGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02354942 _cell_length_b 5.02354942 _cell_length_c 2.88720070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.85755245 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGeMo2 _chemical_formula_sum 'In1 Ge1 Mo2' _cell_volume 68.52919338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.88650272 0.00000000 0.00000000 1 Mo Mo2 1 1.44325136 -2.05573288 1.44360035 1 Mo Mo3 1 1.44325136 2.05573289 1.44360035 1 [/CIF]
GeInMo2
Cmmm
65
orthorhombic
mmm
9,192.753613
false
[CIF] data_GaAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59082597 _cell_length_b 4.59082597 _cell_length_c 3.30143014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.35808506 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs2W _chemical_formula_sum 'Ga1 As2 W1' _cell_volume 67.09515645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39166144 -1.82543124 1.65071507 1 As As1 1 1.39166144 1.82543124 1.65071507 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.78332287 0.00000000 0.00000000 1 [/CIF]
As2GaW
Cmmm
65
orthorhombic
mmm
9,983.906294
false
[CIF] data_La(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58091589 _cell_length_b 5.58091589 _cell_length_c 5.58091589 _cell_angle_alpha 137.84571501 _cell_angle_beta 137.84571501 _cell_angle_gamma 61.13937548 _symmetry_Int_Tables_number 1 _chemical_formula_structural La(NiP)2 _chemical_formula_sum 'La1 Ni2 P2' _cell_volume 77.42549440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.00703458 -0.00000000 2.40261559 1 Ni Ni2 1 -0.00000000 2.00703458 2.40261559 1 P P3 1 0.00000000 -0.00000000 3.55105180 1 P P4 1 0.00000000 0.00000000 6.05941054 1 [/CIF]
LaNi2P2
I4/mmm
139
tetragonal
4/mmm
6,825.266207
false
[CIF] data_CaCu4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20724398 _cell_length_b 5.20724398 _cell_length_c 5.20724398 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu4Pb _chemical_formula_sum 'Ca1 Cu4 Pb1' _cell_volume 99.84096777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 4.60522457 4.60522457 2.75893049 1 Cu Cu2 1 4.60522457 2.75893049 4.60522457 1 Cu Cu3 1 2.75893049 4.60522457 4.60522457 1 Cu Cu4 1 2.75893049 2.75893049 2.75893049 1 Pb Pb5 1 5.52311630 5.52311630 5.52311630 1 [/CIF]
CaCu4Pb
F-43m
216
cubic
-43m
8,340.236077
false
[CIF] data_NiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33056698 _cell_length_b 4.33056698 _cell_length_c 5.29571515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiW2 _chemical_formula_sum 'Ni2 W4' _cell_volume 86.00917236 _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 Ni Ni0 1 -0.00000000 2.50025401 1.32392879 1 Ni Ni1 1 2.16528349 1.25012701 3.97178636 1 W W2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 2.64785758 1 W W4 1 -0.00000000 2.50025401 3.97178636 1 W W5 1 2.16528349 1.25012701 1.32392879 1 [/CIF]
Ni2W4
P6_3/mmc
194
hexagonal
6/mmm
16,463.585445
false
[CIF] data_KNaCa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50617802 _cell_length_b 6.50617802 _cell_length_c 3.94277210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaCa _chemical_formula_sum 'K1 Na1 Ca1' _cell_volume 144.53871556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25308904 1.87817180 3.84561707 1 K K1 1 0.00000003 3.75634361 1.49334772 1 Na Na2 1 0.00000000 0.00000000 2.54657941 1 [/CIF]
CaKNa
P3m1
156
trigonal
3m
1,173.739152
false
[CIF] data_MoC3S2Cl7O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23264303 _cell_length_b 10.13767393 _cell_length_c 8.58602073 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.57443646 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoC3S2Cl7O _chemical_formula_sum 'Mo2 C6 S4 Cl14 O2' _cell_volume 679.26138642 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 7.46243741 6.72115109 0.33350101 1 C C1 1 6.74355262 7.83662653 0.77881201 1 C C2 1 -0.83599595 3.13587715 3.97053594 1 C C3 1 6.09495728 3.41652284 4.40289115 1 C C4 1 5.37607249 2.30104740 4.84820215 1 C C5 1 -2.20347607 7.00179678 8.03992608 1 Cl Cl6 1 1.06754584 1.87907504 0.15784041 1 Cl Cl7 1 6.81076734 5.15683491 0.32454070 1 Cl Cl8 1 5.55941288 1.90153637 1.09951658 1 Cl Cl9 1 5.20125760 7.76941983 1.43658864 1 Cl Cl10 1 2.94254670 0.45537053 2.35741374 1 Cl Cl11 1 2.31543516 6.87990210 2.94022065 1 Cl Cl12 1 0.26599141 4.29586285 3.46419369 1 Cl Cl13 1 -0.29993429 8.25859889 4.22723055 1 Cl Cl14 1 5.44328721 4.98083902 4.39393084 1 Cl Cl15 1 4.19193275 8.23613756 5.16890672 1 Cl Cl16 1 3.83377747 2.36825410 5.50597878 1 Cl Cl17 1 1.57506658 9.68230340 6.42680388 1 Cl Cl18 1 0.94795504 3.25777183 7.00961078 1 Cl Cl19 1 -1.10148872 5.84181108 7.53358383 1 Mo Mo20 1 3.24805343 2.35351960 1.00407050 1 Mo Mo21 1 1.88057331 7.78415433 5.07346064 1 O O22 1 3.05237536 3.67517332 2.03172311 1 O O23 1 1.68489523 6.46250061 6.10111325 1 S S24 1 7.50848710 9.35715019 0.66956720 1 S S25 1 -0.33002579 1.51031938 3.99830261 1 S S26 1 6.14100697 0.78052374 4.73895734 1 S S27 1 -1.69750591 8.62735455 8.06769275 1 [/CIF]
C6Cl14Mo2O2S4
Pc
7
monoclinic
m
2,250.484699
false
[CIF] data_ZrHg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27940341 _cell_length_b 5.27940341 _cell_length_c 4.68785875 _cell_angle_alpha 113.80526023 _cell_angle_beta 113.80526023 _cell_angle_gamma 41.79756947 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHg2Os _chemical_formula_sum 'Zr1 Hg2 Os1' _cell_volume 78.53772661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -2.01332271 -0.00000000 4.21036235 1 Hg Hg1 1 0.86551774 -0.00000000 3.15599046 1 Os Os2 1 3.81404234 0.00000000 2.01904326 1 Zr Zr3 1 7.06649836 0.00000000 1.18394551 1 [/CIF]
Hg2OsZr
Cm
8
monoclinic
m
14,433.068974
false
[CIF] data_Ba2CaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61338596 _cell_length_b 6.61338596 _cell_length_c 6.77438258 _cell_angle_alpha 100.11529528 _cell_angle_beta 100.11529528 _cell_angle_gamma 33.38353000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaZr _chemical_formula_sum 'Ba2 Ca1 Zr1' _cell_volume 160.26708531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.35074104 0.00000000 1.79149345 1 Ba Ba1 1 2.07658489 -0.00000000 4.86804088 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.71366297 -0.00000000 3.32976716 1 [/CIF]
Ba2CaZr
C2/m
12
monoclinic
2/m
4,206.139994
false
[CIF] data_HfHgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50137911 _cell_length_b 8.15570601 _cell_length_c 3.38380695 _cell_angle_alpha 84.08054370 _cell_angle_beta 72.59684058 _cell_angle_gamma 23.32261572 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgBr _chemical_formula_sum 'Hf1 Hg1 Br1' _cell_volume 78.97198801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68704524 2.93326232 15.50382782 1 Hf Hf1 1 1.68704524 2.93326232 5.41215567 1 Hg Hg2 1 1.68704524 2.93326232 11.00126407 1 [/CIF]
BrHfHg
Fmm2
42
orthorhombic
mm2
9,651.027942
false
[CIF] data_BeReTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09710915 _cell_length_b 4.09710915 _cell_length_c 4.09710915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReTcNi _chemical_formula_sum 'Be1 Re1 Tc1 Ni1' _cell_volume 48.63149301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.89709366 2.89709366 2.89709366 1 Re Re2 1 1.44854683 1.44854683 1.44854683 1 Tc Tc3 1 4.34564049 4.34564049 4.34564049 1 [/CIF]
BeNiReTc
F-43m
216
cubic
-43m
12,047.118743
false
[CIF] data_CrCuOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20118367 _cell_length_b 4.20118367 _cell_length_c 4.20118367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuOsRh _chemical_formula_sum 'Cr1 Cu1 Os1 Rh1' _cell_volume 52.43243262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.97068546 2.97068546 2.97068546 1 Os Os2 1 4.45602819 4.45602819 4.45602819 1 Rh Rh3 1 1.48534273 1.48534273 1.48534273 1 [/CIF]
CrCuOsRh
F-43m
216
cubic
-43m
12,942.850189
false
[CIF] data_LiGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30999204 _cell_length_b 3.30999204 _cell_length_c 5.55029511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGa2Pd _chemical_formula_sum 'Li1 Ga2 Pd1' _cell_volume 60.80929578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43001849 1 Ga Ga1 1 1.65499602 1.65499602 1.47626505 1 Li Li2 1 0.00000000 0.00000000 2.79337311 1 Pd Pd3 1 1.65499602 1.65499602 4.17608106 1 [/CIF]
Ga2LiPd
P4mm
99
tetragonal
4mm
6,903.482345
false
[CIF] data_CoB2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88543435 _cell_length_b 5.88543435 _cell_length_c 5.88543435 _cell_angle_alpha 33.40606603 _cell_angle_beta 33.40606603 _cell_angle_gamma 33.40606603 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoB2Sb _chemical_formula_sum 'Co1 B2 Sb1' _cell_volume 55.02935216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67086269 1 B B1 1 -0.00000000 -0.00000000 10.98474751 1 Co Co2 1 0.00000000 -0.00000000 -0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 8.32780510 1 [/CIF]
B2CoSb
R-3m
166
trigonal
-3m
6,104.965288
false
[CIF] data_InCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27647104 _cell_length_b 4.27647104 _cell_length_c 5.52292347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCl2 _chemical_formula_sum 'In1 Cl2' _cell_volume 87.47233663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46902171 4.15554217 1 Cl Cl1 1 2.13823552 1.23451085 1.36738130 1 In In2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2In
P-3m1
164
trigonal
-3m
3,525.708464
false
[CIF] data_BaSrTiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26786246 _cell_length_b 5.26786246 _cell_length_c 5.26786246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrTiRh _chemical_formula_sum 'Ba1 Sr1 Ti1 Rh1' _cell_volume 103.36851683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86247064 1.86247064 1.86247064 1 Rh Rh1 1 5.58741190 5.58741190 5.58741190 1 Sr Sr2 1 3.72494127 3.72494127 3.72494127 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRhSrTi
F-43m
216
cubic
-43m
6,035.656958
false
[CIF] data_Li2CN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10545380 _cell_length_b 5.10545380 _cell_length_c 5.10545380 _cell_angle_alpha 137.28418106 _cell_angle_beta 137.28418106 _cell_angle_gamma 62.00109655 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CN2 _chemical_formula_sum 'Li2 C1 N2' _cell_volume 60.51856894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85936908 0.00000000 2.18810144 1 Li Li1 1 0.00000000 1.85936908 2.18810144 1 C C2 1 0.00000000 0.00000000 0.00000000 1 N N3 1 0.00000000 -0.00000000 1.23762956 1 N N4 1 -0.00000000 0.00000000 7.51477622 1 [/CIF]
CLi2N2
I4/mmm
139
tetragonal
4/mmm
1,479.102803
false
[CIF] data_NbCo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57021974 _cell_length_b 4.57021974 _cell_length_c 4.57021974 _cell_angle_alpha 130.28327901 _cell_angle_beta 130.28327901 _cell_angle_gamma 72.95430118 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo2W _chemical_formula_sum 'Nb1 Co2 W1' _cell_volume 54.25689635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92121303 1.83744316 1 Co Co1 1 1.92121303 0.00000000 1.83744316 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.67488632 1 [/CIF]
Co2NbW
I4/mmm
139
tetragonal
4/mmm
12,077.172947
false
[CIF] data_BaLiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08322726 _cell_length_b 4.22603409 _cell_length_c 6.54722426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiPt2 _chemical_formula_sum 'Ba1 Li1 Pt2' _cell_volume 85.30917657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54161363 2.11301704 3.12630266 1 Li Li1 1 0.00000000 0.00000000 5.49906328 1 Pt Pt2 1 1.54161363 2.11301704 6.40237170 1 Pt Pt3 1 0.00000000 0.00000000 1.34032307 1 [/CIF]
BaLiPt2
Pmm2
25
orthorhombic
mm2
10,402.771334
false
[CIF] data_MnGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75149500 _cell_length_b 3.75149500 _cell_length_c 3.48453100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaNi2 _chemical_formula_sum 'Mn1 Ga1 Ni2' _cell_volume 49.04029528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.87574750 1.87574750 0.00000000 1 Ni Ni2 1 1.87574750 0.00000000 1.74226550 1 Ni Ni3 1 0.00000000 1.87574750 1.74226550 1 [/CIF]
GaMnNi2
P4/mmm
123
tetragonal
4/mmm
8,195.911144
false
[CIF] data_CoAgPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38235087 _cell_length_b 4.38235087 _cell_length_c 4.38235087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgPdW _chemical_formula_sum 'Co1 Ag1 Pd1 W1' _cell_volume 59.51225978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09879002 3.09879002 3.09879002 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.64818503 4.64818503 4.64818503 1 W W3 1 1.54939501 1.54939501 1.54939501 1 [/CIF]
AgCoPdW
F-43m
216
cubic
-43m
12,753.142042
false
[CIF] data_BeCuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18452614 _cell_length_b 4.18452614 _cell_length_c 2.93296291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuPt2 _chemical_formula_sum 'Be1 Cu1 Pt2' _cell_volume 51.35694024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.09226307 2.09226307 0.00000000 1 Pt Pt2 1 2.09226307 0.00000000 1.46648146 1 Pt Pt3 1 0.00000000 2.09226307 1.46648146 1 [/CIF]
BeCuPt2
P4/mmm
123
tetragonal
4/mmm
14,961.466533
false
[CIF] data_VCdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07912854 _cell_length_b 4.28346146 _cell_length_c 4.64907593 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdRu2 _chemical_formula_sum 'V1 Cd1 Ru2' _cell_volume 61.31818934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53956427 0.00000000 2.32453797 1 Ru Ru1 1 1.53956427 2.14173073 0.00000000 1 Ru Ru2 1 0.00000000 2.14173073 2.32453797 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdRu2V
Pmmm
47
orthorhombic
mmm
9,897.79022
false
[CIF] data_Nb2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16860194 _cell_length_b 4.37796983 _cell_length_c 6.06469612 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.89310448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2HgTe _chemical_formula_sum 'Nb2 Hg1 Te1' _cell_volume 81.30356121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.80493752 0.00000000 2.93048245 1 Nb Nb1 1 -0.44910769 2.18898491 4.49653619 1 Nb Nb2 1 2.05898273 2.18898491 1.36442870 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNb2Te
P2/m
10
monoclinic
2/m
10,497.961598
false
[CIF] data_VNiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63356500 _cell_length_b 2.63356500 _cell_length_c 8.38319092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.05270423 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiMo2 _chemical_formula_sum 'V1 Ni1 Mo2' _cell_volume 56.14795976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60225167 0.00000000 0.06110751 1 Mo Mo1 1 0.00000000 0.00000000 6.14939296 1 Ni Ni2 1 1.60225167 0.00000000 4.12713442 1 V V3 1 0.00000000 0.00000000 2.23715157 1 [/CIF]
Mo2NiV
Cmm2
35
orthorhombic
mm2
8,918.288293
false
[CIF] data_NbCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45748664 _cell_length_b 4.45748664 _cell_length_c 4.45748664 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdTc _chemical_formula_sum 'Nb1 Cd1 Tc1' _cell_volume 62.62606907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72787855 4.72787855 4.72787855 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.57595952 1.57595952 1.57595952 1 [/CIF]
CdNbTc
F-43m
216
cubic
-43m
8,066.531192
false
[CIF] data_MnTeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92437369 _cell_length_b 2.92437369 _cell_length_c 8.55277468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.51046362 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTeMo2 _chemical_formula_sum 'Mn1 Te1 Mo2' _cell_volume 68.04863498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94536495 1 Mo Mo1 1 1.64563119 0.00000000 0.13961678 1 Mo Mo2 1 0.00000000 0.00000000 6.60546748 1 Te Te3 1 1.64563119 0.00000000 4.13871281 1 [/CIF]
MnMo2Te
Cmm2
35
orthorhombic
mm2
9,137.614777
false
[CIF] data_RePdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84503147 _cell_length_b 4.84503147 _cell_length_c 4.84503147 _cell_angle_alpha 132.44896904 _cell_angle_beta 132.44896904 _cell_angle_gamma 69.52084674 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePdPt2 _chemical_formula_sum 'Re1 Pd1 Pt2' _cell_volume 60.74670633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pt Pt1 1 1.95329510 0.00000000 1.99020140 1 Pt Pt2 1 0.00000000 1.95329510 1.99020140 1 Re Re3 1 -0.00000000 0.00000000 3.98040280 1 [/CIF]
PdPt2Re
I4/mmm
139
tetragonal
4/mmm
18,664.514348
false
[CIF] data_VAg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09572616 _cell_length_b 5.09572616 _cell_length_c 4.69800363 _cell_angle_alpha 99.05640801 _cell_angle_beta 99.05640801 _cell_angle_gamma 31.31367484 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAg2Os _chemical_formula_sum 'V1 Ag2 Os1' _cell_volume 62.54832109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 7.17449217 -0.00000000 1.15431893 1 Ag Ag1 1 1.87081587 -0.00000000 3.48048675 1 Os Os2 1 4.52265402 -0.00000000 2.31740284 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2OsV
C2/m
12
monoclinic
2/m
12,130.036499
false
[CIF] data_SrIrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85424870 _cell_length_b 3.91930468 _cell_length_c 6.69399948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIrRh2 _chemical_formula_sum 'Sr1 Ir1 Rh2' _cell_volume 74.88356509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.42712435 1.95965234 5.47969452 1 Rh Rh1 1 0.00000000 0.00000000 6.57643216 1 Rh Rh2 1 1.42712435 1.95965234 1.34189567 1 Sr Sr3 1 0.00000000 0.00000000 3.33697628 1 [/CIF]
IrRh2Sr
Pmm2
25
orthorhombic
mm2
10,769.218528
false
[CIF] data_AlCr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57107531 _cell_length_b 2.57107531 _cell_length_c 8.06406439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.27561903 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2Si _chemical_formula_sum 'Al1 Cr2 Si1' _cell_volume 51.42356524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91638023 1 Cr Cr1 1 1.56026084 0.00000000 7.97961815 1 Cr Cr2 1 0.00000000 0.00000000 6.05314849 1 Si Si3 1 1.56026084 0.00000000 4.21101410 1 [/CIF]
AlCr2Si
Cmm2
35
orthorhombic
mm2
5,136.245968
false
[CIF] data_Ba2TiMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40096248 _cell_length_b 5.40096248 _cell_length_c 5.40096248 _cell_angle_alpha 121.72314896 _cell_angle_beta 121.72314896 _cell_angle_gamma 87.04046204 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiMn _chemical_formula_sum 'Ba2 Ti1 Mn1' _cell_volume 108.34468082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62984350 -0.00000000 1.95820339 1 Ba Ba1 1 -0.00000000 0.00000000 3.91640678 1 Mn Mn2 1 -0.00000000 2.62984350 1.95820339 1 Ti Ti3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ba2MnTi
I-4m2
119
tetragonal
-42m
5,785.106251
false
[CIF] data_BaPr2FeS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79452407 _cell_length_b 8.79452407 _cell_length_c 8.79452407 _cell_angle_alpha 126.28868553 _cell_angle_beta 126.28868553 _cell_angle_gamma 79.41418274 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPr2FeS5 _chemical_formula_sum 'Ba2 Pr4 Fe2 S10' _cell_volume 427.15928185 _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 S S0 1 2.79922489 -1.17365199 8.60949575 1 S S1 1 2.79922489 -1.17365199 4.92211939 1 S S2 1 1.17365199 5.14652888 -1.84368818 1 S S3 1 2.79922489 1.17365199 -1.84368818 1 S S4 1 1.17365199 2.79922489 4.92211939 1 S S5 1 1.17365199 2.79922489 8.60949575 1 S S6 1 2.79922489 1.17365199 1.84368818 1 S S7 1 1.17365199 5.14652888 1.84368818 1 S S8 1 0.00000000 -0.00000000 6.76580757 1 S S9 1 0.00000000 -0.00000000 -0.00000000 1 Fe Fe10 1 -0.00000000 3.97287689 3.38290378 1 Fe Fe11 1 3.97287689 -0.00000000 3.38290378 1 Ba Ba12 1 0.00000000 -0.00000000 3.38290378 1 Ba Ba13 1 0.00000000 0.00000000 10.14871135 1 Pr Pr14 1 1.28649993 2.68637695 -0.00000000 1 Pr Pr15 1 5.25937682 1.28649993 -0.00000000 1 Pr Pr16 1 -1.28649993 2.68637695 6.76580757 1 Pr Pr17 1 2.68637695 1.28649993 6.76580757 1 [/CIF]
Ba2Fe2Pr4S10
I4/mcm
140
tetragonal
4/mmm
4,939.426291
false
[CIF] data_CePu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42558791 _cell_length_b 5.42558791 _cell_length_c 5.42558791 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CePu2Te _chemical_formula_sum 'Ce1 Pu2 Te1' _cell_volume 112.93418320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 3.83647000 3.83647000 3.83647000 1 Pu Pu1 1 1.91823500 1.91823500 1.91823500 1 Pu Pu2 1 5.75470500 5.75470500 5.75470500 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CePu2Te
Fm-3m
225
cubic
m-3m
11,111.745848
false
[CIF] data_BaZn4Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78465855 _cell_length_b 5.78465855 _cell_length_c 5.78465855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn4Hg _chemical_formula_sum 'Ba1 Zn4 Hg1' _cell_volume 136.87312724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.04518565 2.04518565 2.04518565 1 Zn Zn2 1 3.08528160 3.08528160 5.09546098 1 Zn Zn3 1 3.08528160 5.09546098 3.08528160 1 Zn Zn4 1 5.09546098 3.08528160 3.08528160 1 Zn Zn5 1 5.09546098 5.09546098 5.09546098 1 [/CIF]
BaHgZn4
F-43m
216
cubic
-43m
7,272.344664
false
[CIF] data_Ti2CdGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26846017 _cell_length_b 5.26846017 _cell_length_c 5.26846017 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CdGe _chemical_formula_sum 'Ti2 Cd1 Ge1' _cell_volume 103.40370608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58804587 5.58804587 5.58804587 1 Ge Ge1 1 3.72536391 3.72536391 3.72536391 1 Ti Ti2 1 1.86268196 1.86268196 1.86268196 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGeTi2
F-43m
216
cubic
-43m
4,509.069157
false
[CIF] data_LiTaFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61139511 _cell_length_b 4.61139511 _cell_length_c 4.61139511 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaFePb _chemical_formula_sum 'Li1 Ta1 Fe1 Pb1' _cell_volume 69.33970746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63037438 1.63037438 1.63037438 1 Li Li1 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 4.89112313 4.89112313 4.89112313 1 Ta Ta3 1 3.26074875 3.26074875 3.26074875 1 [/CIF]
FeLiPbTa
F-43m
216
cubic
-43m
10,798.910922
false
[CIF] data_SrLa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41509391 _cell_length_b 6.41509391 _cell_length_c 6.41509391 _cell_angle_alpha 133.90558093 _cell_angle_beta 133.90558093 _cell_angle_gamma 67.23551937 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Hg _chemical_formula_sum 'Sr1 La2 Hg1' _cell_volume 134.77944268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.51144163 -0.00000000 2.67108367 1 La La1 1 0.00000000 -0.00000000 5.34216733 1 La La2 1 -0.00000000 2.51144163 2.67108367 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2Sr
I-4m2
119
tetragonal
-42m
6,973.614556
false
[CIF] data_K2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.42657811 _cell_length_b 10.42657811 _cell_length_c 10.42657811 _cell_angle_alpha 163.84400526 _cell_angle_beta 163.84400526 _cell_angle_gamma 22.92502572 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2W _chemical_formula_sum 'K2 W1' _cell_volume 87.74421443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.07386140 1 K K1 1 -0.00000000 0.00000000 7.36337728 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2W
I4/mmm
139
tetragonal
4/mmm
4,958.982356
false
[CIF] data_VInGaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43433413 _cell_length_b 4.43433413 _cell_length_c 4.43433413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInGaFe _chemical_formula_sum 'V1 In1 Ga1 Fe1' _cell_volume 61.65527568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13554773 3.13554773 3.13554773 1 Ga Ga1 1 1.56777387 1.56777387 1.56777387 1 In In2 1 4.70332160 4.70332160 4.70332160 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeGaInV
F-43m
216
cubic
-43m
7,846.217369
false
[CIF] data_Ca2BiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68024128 _cell_length_b 3.68024128 _cell_length_c 11.89326701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.47808411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2BiPb _chemical_formula_sum 'Ca2 Bi1 Pb1' _cell_volume 151.86548989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.94663351 1 Ca Ca1 1 2.12460831 0.00000000 8.91958454 1 Ca Ca2 1 2.12460831 0.00000000 2.97368247 1 Pb Pb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCa2Pb
Cmmm
65
orthorhombic
mmm
5,427.078812
false
[CIF] data_CuReIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56735686 _cell_length_b 4.56735686 _cell_length_c 4.56735686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReIrPb _chemical_formula_sum 'Cu1 Re1 Ir1 Pb1' _cell_volume 67.37206201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.22960901 3.22960901 3.22960901 1 Pb Pb2 1 1.61480450 1.61480450 1.61480450 1 Re Re3 1 4.84441351 4.84441352 4.84441352 1 [/CIF]
CuIrPbRe
F-43m
216
cubic
-43m
16,000.284299
false
[CIF] data_LiMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27123512 _cell_length_b 7.27123512 _cell_length_c 4.66962424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.27356296 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2 _chemical_formula_sum 'Li2 Mg4' _cell_volume 126.14437345 _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 1.92642034 -5.82228027 1.16740606 1 Li Li1 1 1.92642034 5.82228027 3.50221818 1 Mg Mg2 1 1.92642034 -1.12954087 1.16740606 1 Mg Mg3 1 1.92642034 1.12954087 3.50221818 1 Mg Mg4 1 1.92642034 3.45369739 1.16740606 1 Mg Mg5 1 1.92642034 -3.45369739 3.50221818 1 [/CIF]
Li2Mg4
Cmcm
63
orthorhombic
mmm
1,462.524299
false
[CIF] data_YTaRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90893666 _cell_length_b 4.90893666 _cell_length_c 4.90893666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaRuPb _chemical_formula_sum 'Y1 Ta1 Ru1 Pb1' _cell_volume 83.64640632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73557120 1.73557120 1.73557120 1 Ru Ru1 1 5.20671360 5.20671360 5.20671360 1 Ta Ta2 1 3.47114240 3.47114240 3.47114240 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRuTaY
F-43m
216
cubic
-43m
11,476.847377
false
[CIF] data_HgTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59763280 _cell_length_b 4.85234328 _cell_length_c 4.95987805 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.72748244 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeAu2 _chemical_formula_sum 'Hg1 Te1 Au2' _cell_volume 110.60108153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.57460200 2.42617164 0.04088305 1 Au Au1 1 3.90007393 0.00000000 1.40247218 1 Hg Hg2 1 2.32795866 2.42617164 2.09589260 1 Te Te3 1 0.46716896 0.00000000 3.89718797 1 [/CIF]
Au2HgTe
Pm
6
monoclinic
m
10,841.789835
false
[CIF] data_LiGaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48814931 _cell_length_b 4.48814931 _cell_length_c 4.48814931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaSi2 _chemical_formula_sum 'Li1 Ga1 Si2' _cell_volume 63.92737778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17360081 3.17360081 3.17360081 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 4.76040122 4.76040122 4.76040122 1 Si Si3 1 1.58680040 1.58680041 1.58680041 1 [/CIF]
GaLiSi2
Fm-3m
225
cubic
m-3m
3,450.441963
false
[CIF] data_Mn2GaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.17696058 _cell_length_b 11.17696058 _cell_length_c 4.47111981 _cell_angle_alpha 98.86817356 _cell_angle_beta 98.86817356 _cell_angle_gamma 27.88473770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2GaNi _chemical_formula_sum 'Mn10 Ga5 Ni5' _cell_volume 257.91515144 _cell_formula_units_Z 5 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.84767138 0.00000000 0.00000000 1 Ga Ga1 1 19.14425604 0.00000000 2.51830398 1 Ga Ga2 1 1.84088840 0.00000000 1.89605110 1 Ga Ga3 1 15.12161465 0.00000000 0.60729726 1 Ga Ga4 1 5.86352978 0.00000000 3.80705781 1 Mn Mn5 1 10.49257222 1.32967415 2.20717754 1 Mn Mn6 1 10.49257222 -1.32967415 2.20717754 1 Mn Mn7 1 12.35694269 1.34233782 4.14844810 1 Mn Mn8 1 8.62820174 1.34233782 0.26590698 1 Mn Mn9 1 8.62820174 -1.34233782 0.26590698 1 Mn Mn10 1 12.35694269 -1.34233782 4.14844810 1 Mn Mn11 1 14.72429280 1.33878942 2.80159905 1 Mn Mn12 1 6.26085163 1.33878942 1.61275602 1 Mn Mn13 1 6.26085163 -1.33878942 1.61275602 1 Mn Mn14 1 14.72429280 -1.33878942 2.80159905 1 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1 Ni Ni16 1 12.70235421 -0.00000000 1.89925455 1 Ni Ni17 1 8.28279023 0.00000000 2.51510052 1 Ni Ni18 1 4.21812532 0.00000000 0.60750469 1 Ni Ni19 1 16.76701912 0.00000000 3.80685038 1 [/CIF]
Ga5Mn10Ni5
C2/m
12
monoclinic
2/m
7,671.010926
false
[CIF] data_Fe2SnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34233974 _cell_length_b 4.34233974 _cell_length_c 4.34233974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SnRu _chemical_formula_sum 'Fe2 Sn1 Ru1' _cell_volume 57.89704532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53524894 1.53524894 1.53524894 1 Fe Fe1 1 4.60574682 4.60574682 4.60574682 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.07049788 3.07049788 3.07049788 1 [/CIF]
Fe2RuSn
Fm-3m
225
cubic
m-3m
9,506.856202
false
[CIF] data_HfV2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93375955 _cell_length_b 4.24124370 _cell_length_c 5.14952673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfV2Tc _chemical_formula_sum 'Hf1 V2 Tc1' _cell_volume 64.07447563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57476337 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.46687978 2.12062185 1.16459209 1 V V3 1 1.46687978 2.12062185 3.98493464 1 [/CIF]
HfTcV2
Pmmm
47
orthorhombic
mmm
9,829.310698
false
[CIF] data_MgBe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70301495 _cell_length_b 4.70301495 _cell_length_c 4.70301495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Bi _chemical_formula_sum 'Mg1 Be2 Bi1' _cell_volume 73.55531824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.66276688 1.66276688 1.66276688 1 Be Be1 1 4.98830064 4.98830064 4.98830064 1 Bi Bi2 1 3.32553376 3.32553376 3.32553376 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2BiMg
Fm-3m
225
cubic
m-3m
5,673.412759
false
[CIF] data_LiTaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68788795 _cell_length_b 7.54400077 _cell_length_c 2.77523369 _cell_angle_alpha 82.43821999 _cell_angle_beta 76.59365776 _cell_angle_gamma 20.96812226 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaNb _chemical_formula_sum 'Li1 Ta1 Nb1' _cell_volume 54.33619962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65985669 2.22413979 14.70907400 1 Nb Nb1 1 1.65985669 2.22413979 9.89051500 1 Ta Ta2 1 1.65985669 2.22413979 4.83693888 1 [/CIF]
LiNbTa
Fmm2
42
orthorhombic
mm2
8,581.231338
false
[CIF] data_MgAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41181142 _cell_length_b 5.41181142 _cell_length_c 5.41181142 _cell_angle_alpha 147.16360028 _cell_angle_beta 131.10202831 _cell_angle_gamma 60.15705682 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAl2V _chemical_formula_sum 'Mg1 Al2 V1' _cell_volume 64.17929559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09478303 1 Al Al1 1 -0.00000000 2.23985610 2.41102756 1 Mg Mg2 1 0.00000000 0.00000000 4.60128766 1 V V3 1 1.52962775 0.00000000 2.25900797 1 [/CIF]
Al2MgV
Imm2
44
orthorhombic
mm2
3,343.096068
false
[CIF] data_Nb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25990622 _cell_length_b 5.25990622 _cell_length_c 16.98631355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Os _chemical_formula_sum 'Nb16 Os8' _cell_volume 406.99190426 _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 Nb Nb0 1 2.62995311 1.51840414 2.07329796 1 Nb Nb1 1 -0.00000000 3.03680827 14.91301559 1 Nb Nb2 1 0.00000000 3.03680827 10.56645474 1 Nb Nb3 1 2.62995311 1.51840414 6.41985881 1 Nb Nb4 1 -1.31497656 2.27760620 0.00000000 1 Nb Nb5 1 1.31497656 2.27760620 0.00000000 1 Nb Nb6 1 2.62995311 0.00000000 0.00000000 1 Nb Nb7 1 -1.31497656 2.27760620 8.49315677 1 Nb Nb8 1 1.31497656 2.27760620 8.49315677 1 Nb Nb9 1 2.62995311 0.00000000 8.49315677 1 Nb Nb10 1 1.27835540 0.73805884 4.24657839 1 Nb Nb11 1 3.98155082 0.73805884 4.24657839 1 Nb Nb12 1 2.62995311 3.07909473 4.24657839 1 Nb Nb13 1 1.35159771 3.81715357 12.73973516 1 Nb Nb14 1 -1.35159771 3.81715357 12.73973516 1 Nb Nb15 1 -0.00000000 1.47611767 12.73973516 1 Os Os16 1 0.00000000 0.00000000 1.67670576 1 Os Os17 1 0.00000000 0.00000000 15.30960779 1 Os Os18 1 0.00000000 0.00000000 10.16986254 1 Os Os19 1 0.00000000 0.00000000 6.81645101 1 Os Os20 1 2.62995311 1.51840414 14.25487798 1 Os Os21 1 -0.00000000 3.03680827 2.73143557 1 Os Os22 1 0.00000000 3.03680827 5.76172121 1 Os Os23 1 2.62995311 1.51840414 11.22459234 1 [/CIF]
Nb16Os8
P6_3/mmc
194
hexagonal
6/mmm
12,274.125104
false
[CIF] data_YTaNi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49619415 _cell_length_b 6.49619415 _cell_length_c 10.67332788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.48280314 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaNi6 _chemical_formula_sum 'Y4 Ta4 Ni24' _cell_volume 424.62986142 _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 Ni Ni0 1 3.75004330 -2.57944692 7.88630946 1 Ni Ni1 1 1.95643277 -1.30125629 9.25194544 1 Ni Ni2 1 5.54365383 1.30125629 9.25194544 1 Ni Ni3 1 3.75004330 2.57944692 7.88630946 1 Ni Ni4 1 5.54365383 -1.30125629 9.25194544 1 Ni Ni5 1 1.95643277 1.30125629 9.25194544 1 Ni Ni6 1 0.00000000 0.00000000 5.33666394 1 Ni Ni7 1 5.55978836 1.35461218 6.59314752 1 Ni Ni8 1 5.55978836 -1.35461218 6.59314752 1 Ni Ni9 1 3.75004330 -2.57944692 2.78701842 1 Ni Ni10 1 1.94029824 -1.35461218 4.08018036 1 Ni Ni11 1 5.55978836 1.35461218 4.08018036 1 Ni Ni12 1 3.75004330 2.57944692 2.78701842 1 Ni Ni13 1 5.55978836 -1.35461218 4.08018036 1 Ni Ni14 1 1.94029824 1.35461218 4.08018036 1 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1 Ni Ni16 1 5.54365383 1.30125629 1.42138244 1 Ni Ni17 1 5.54365383 -1.30125629 1.42138244 1 Ni Ni18 1 3.75004330 0.00000000 5.33666394 1 Ni Ni19 1 1.94029824 1.35461218 6.59314752 1 Ni Ni20 1 1.94029824 -1.35461218 6.59314752 1 Ni Ni21 1 3.75004330 0.00000000 0.00000000 1 Ni Ni22 1 1.95643277 1.30125629 1.42138244 1 Ni Ni23 1 1.95643277 -1.30125629 1.42138244 1 Ta Ta24 1 3.75004330 -2.68237914 5.33666394 1 Ta Ta25 1 3.75004330 2.68237914 5.33666394 1 Ta Ta26 1 3.75004330 0.00000000 8.00829354 1 Ta Ta27 1 3.75004330 0.00000000 2.66503434 1 Y Y28 1 3.75004330 -2.69026184 0.00000000 1 Y Y29 1 3.75004330 2.69026184 0.00000000 1 Y Y30 1 0.00000000 0.00000000 7.98108275 1 Y Y31 1 0.00000000 0.00000000 2.69224513 1 [/CIF]
Ni24Ta4Y4
Cmmm
65
orthorhombic
mmm
9,729.685608
false
[CIF] data_FeMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10000422 _cell_length_b 5.10000422 _cell_length_c 5.10000422 _cell_angle_alpha 144.67452836 _cell_angle_beta 129.32269656 _cell_angle_gamma 63.28403071 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMo2Os _chemical_formula_sum 'Fe1 Mo2 Os1' _cell_volume 58.65723732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.53071288 1 Mo Mo1 1 0.00000000 2.18263687 4.33437044 1 Mo Mo2 1 0.00000000 -0.00000000 2.14690553 1 Os Os3 1 -0.00000000 2.18263687 0.01356160 1 [/CIF]
FeMo2Os
Imm2
44
orthorhombic
mm2
12,399.285096
false
[CIF] data_YCuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46677050 _cell_length_b 4.46677050 _cell_length_c 3.86697238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuAu2 _chemical_formula_sum 'Y1 Cu1 Au2' _cell_volume 77.15398274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.23338525 0.00000000 1.93348619 1 Au Au1 1 0.00000000 2.23338525 1.93348619 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.23338525 2.23338525 0.00000000 1 [/CIF]
Au2CuY
P4/mmm
123
tetragonal
4/mmm
11,759.667107
false
[CIF] data_TcIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90168212 _cell_length_b 3.90168212 _cell_length_c 3.93470604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcIrPt2 _chemical_formula_sum 'Tc1 Ir1 Pt2' _cell_volume 59.89851530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.95084106 1.95084106 0.00000000 1 Pt Pt1 1 1.95084106 0.00000000 1.96735302 1 Pt Pt2 1 0.00000000 1.95084106 1.96735302 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPt2Tc
P4/mmm
123
tetragonal
4/mmm
18,887.176186
false
[CIF] data_Na4BiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18381822 _cell_length_b 6.18381822 _cell_length_c 6.18381822 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4BiSb _chemical_formula_sum 'Na4 Bi1 Sb1' _cell_volume 167.20726634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.18630990 2.18630990 2.18630990 1 Na Na1 1 5.46510212 3.28013748 3.28013748 1 Na Na2 1 3.28013748 3.28013748 5.46510212 1 Na Na3 1 3.28013748 5.46510212 3.28013748 1 Na Na4 1 5.46510212 5.46510212 5.46510212 1 Sb Sb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNa4Sb
F-43m
216
cubic
-43m
4,197.837872
false
[CIF] data_BaSr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69146210 _cell_length_b 7.69146210 _cell_length_c 6.35340476 _cell_angle_alpha 114.35983935 _cell_angle_beta 114.35983935 _cell_angle_gamma 32.18195900 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Hg _chemical_formula_sum 'Ba1 Sr2 Hg1' _cell_volume 180.80179854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.41621223 0.00000000 2.55725983 1 Hg Hg1 1 10.32408691 -0.00000000 1.46084328 1 Sr Sr2 1 0.66305818 -0.00000000 0.29586120 1 Sr Sr3 1 1.67591526 0.00000000 4.29333765 1 [/CIF]
BaHgSr2
Cm
8
monoclinic
m
4,712.990981
false
[CIF] data_BeSbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27320934 _cell_length_b 6.27320934 _cell_length_c 6.27320934 _cell_angle_alpha 146.98430845 _cell_angle_beta 142.44148944 _cell_angle_gamma 50.85739975 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSbAs2 _chemical_formula_sum 'Be1 Sb1 As2' _cell_volume 81.57730912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.27996133 1 As As1 1 1.78251134 -0.00000000 3.89781532 1 Be Be2 1 0.00000000 -0.00000000 5.52943689 1 Sb Sb3 1 0.00000000 2.01948991 1.95463782 1 [/CIF]
As2BeSb
Imm2
44
orthorhombic
mm2
5,712.039408
false
[CIF] data_Be4CrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34823301 _cell_length_b 4.34823301 _cell_length_c 4.34823301 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4CrAs _chemical_formula_sum 'Be4 Cr1 As1' _cell_volume 58.13309285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53733253 1.53733253 1.53733253 1 Be Be1 1 2.28769217 2.28769217 3.86163793 1 Be Be2 1 2.28769217 3.86163793 2.28769217 1 Be Be3 1 3.86163793 2.28769217 2.28769217 1 Be Be4 1 3.86163793 3.86163793 3.86163793 1 Cr Cr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBe4Cr
F-43m
216
cubic
-43m
4,655.044261
false
[CIF] data_HfMn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00707880 _cell_length_b 3.00707880 _cell_length_c 5.95189902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Fe _chemical_formula_sum 'Hf1 Mn2 Fe1' _cell_volume 53.82018324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 2.97594951 1 Mn Mn2 1 1.50353940 1.50353940 4.68253377 1 Mn Mn3 1 1.50353940 1.50353940 1.26936525 1 [/CIF]
FeHfMn2
P4/mmm
123
tetragonal
4/mmm
10,620.104349
false
[CIF] data_YScTlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88057381 _cell_length_b 4.88057381 _cell_length_c 4.88057381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScTlNi _chemical_formula_sum 'Y1 Sc1 Tl1 Ni1' _cell_volume 82.20489113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45108684 3.45108684 3.45108684 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.72554342 1.72554342 1.72554342 1 Y Y3 1 5.17663026 5.17663026 5.17663026 1 [/CIF]
NiScTlY
F-43m
216
cubic
-43m
8,018.158215
false
[CIF] data_LaV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20105757 _cell_length_b 5.20105757 _cell_length_c 5.20105757 _cell_angle_alpha 146.19291586 _cell_angle_beta 122.22776908 _cell_angle_gamma 68.64151855 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV2B _chemical_formula_sum 'La1 V2 B1' _cell_volume 65.28392394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 4.29552258 1 V V2 1 1.51226649 -0.00000000 1.49996908 1 V V3 1 -0.00000000 2.51247601 2.79555350 1 [/CIF]
BLaV2
Immm
71
orthorhombic
mmm
6,399.596162
false
[CIF] data_TcRu7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41206897 _cell_length_b 5.41206897 _cell_length_c 5.41206897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRu7 _chemical_formula_sum 'Tc1 Ru7' _cell_volume 112.09209082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91345533 1.91345533 0.00000000 1 Ru Ru1 1 1.91345534 0.00000000 1.91345534 1 Ru Ru2 1 3.82691067 1.91345534 1.91345534 1 Ru Ru3 1 0.00000000 1.91345534 1.91345534 1 Ru Ru4 1 1.91345534 3.82691067 1.91345534 1 Ru Ru5 1 1.91345534 1.91345534 3.82691067 1 Ru Ru6 1 3.82691067 3.82691067 3.82691067 1 Tc Tc7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru7Tc
Fm-3m
225
cubic
m-3m
11,946.002465
false
[CIF] data_CaTm2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05438269 _cell_length_b 5.05438269 _cell_length_c 5.05438269 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTm2Ir _chemical_formula_sum 'Ca1 Tm2 Ir1' _cell_volume 91.30390776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.57398827 3.57398827 3.57398827 1 Tm Tm2 1 5.36098241 5.36098241 5.36098241 1 Tm Tm3 1 1.78699414 1.78699414 1.78699414 1 [/CIF]
CaIrTm2
Fm-3m
225
cubic
m-3m
10,369.530248
false
[CIF] data_NaCeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43482822 _cell_length_b 6.43482822 _cell_length_c 6.43482822 _cell_angle_alpha 136.49640806 _cell_angle_beta 136.49640806 _cell_angle_gamma 63.21380717 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCeO2 _chemical_formula_sum 'Na2 Ce2 O4' _cell_volume 124.65748448 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 -0.00000000 2.38466080 2.74015511 1 Ce Ce2 1 0.00000000 0.00000000 5.48031021 1 Ce Ce3 1 2.38466080 -0.00000000 2.74015511 1 O O4 1 2.38466080 0.00000000 5.16626816 1 O O5 1 0.00000000 -0.00000000 3.05419716 1 O O6 1 0.00000000 0.00000000 7.90642326 1 O O7 1 2.38466080 -0.00000000 0.31404205 1 [/CIF]
Ce2Na2O4
I4_1/amd
141
tetragonal
4/mmm
5,197.903049
false
[CIF] data_Li2ReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55617085 _cell_length_b 4.41155752 _cell_length_c 4.59769307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ReNi _chemical_formula_sum 'Li2 Re1 Ni1' _cell_volume 51.84678124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.27808542 2.20577876 0.00000000 1 Ni Ni2 1 1.27808542 0.00000000 2.29884654 1 Re Re3 1 0.00000000 2.20577876 2.29884654 1 [/CIF]
Li2NiRe
Pmmm
47
orthorhombic
mmm
8,288.234577
false
[CIF] data_ZrTi4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50143038 _cell_length_b 5.50143038 _cell_length_c 5.50143038 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi4Cl _chemical_formula_sum 'Zr1 Ti4 Cl1' _cell_volume 117.73670218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 4.82380954 4.82380954 2.95638792 1 Ti Ti2 1 4.82380954 2.95638792 4.82380954 1 Ti Ti3 1 2.95638792 4.82380954 4.82380954 1 Ti Ti4 1 2.95638792 2.95638792 2.95638792 1 Zr Zr5 1 5.83514810 5.83514810 5.83514810 1 [/CIF]
ClTi4Zr
F-43m
216
cubic
-43m
4,487.064709
false
[CIF] data_HfTcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01362796 _cell_length_b 4.13657383 _cell_length_c 5.62278279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.84773350 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTcAu2 _chemical_formula_sum 'Hf1 Tc1 Au2' _cell_volume 70.08646981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46885412 2.06828691 1.37152913 1 Au Au1 1 1.46158364 2.06828691 4.25063822 1 Hf Hf2 1 -0.04159510 0.00000000 2.81108368 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2HfTc
P2/m
10
monoclinic
2/m
15,905.617665
false
[CIF] data_Ba2NdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09498610 _cell_length_b 6.09498610 _cell_length_c 6.09498610 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NdIn _chemical_formula_sum 'Ba2 Nd1 In1' _cell_volume 160.10436039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.46470900 6.46470900 6.46470900 1 Ba Ba1 1 2.15490300 2.15490300 2.15490300 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Nd Nd3 1 4.30980600 4.30980600 4.30980600 1 [/CIF]
Ba2InNd
Fm-3m
225
cubic
m-3m
5,535.470397
false
[CIF] data_Ca2AgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18434256 _cell_length_b 5.18434256 _cell_length_c 5.18434256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AgGe _chemical_formula_sum 'Ca2 Ag1 Ge1' _cell_volume 98.52945322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66588378 3.66588378 3.66588378 1 Ca Ca1 1 5.49882567 5.49882567 5.49882567 1 Ca Ca2 1 1.83294189 1.83294189 1.83294189 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCa2Ge
Fm-3m
225
cubic
m-3m
4,393.032471
false