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_CrGa2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93954336 _cell_length_b 4.93954336 _cell_length_c 2.70581980 _cell_angle_alpha 100.92214209 _cell_angle_beta 100.92214209 _cell_angle_gamma 114.50821080 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGa2Tc _chemical_formula_sum 'Cr1 Ga2 Tc1' _cell_volume 56.26533826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.86202861 2.07727006 1.26719308 1 Ga Ga2 1 0.86202861 -2.07727006 1.26719308 1 Tc Tc3 1 2.67186918 0.00000000 0.00000000 1 [/CIF]
CrGa2Tc
C2/m
12
monoclinic
2/m
8,568.946886
false
[CIF] data_Ga2Sn3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01248760 _cell_length_b 8.01248760 _cell_length_c 5.62260778 _cell_angle_alpha 102.40066353 _cell_angle_beta 102.40066353 _cell_angle_gamma 67.52154240 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2Sn3N4 _chemical_formula_sum 'Ga4 Sn6 N8' _cell_volume 322.22630287 _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 Ga Ga0 1 2.45925965 0.89831029 2.26377418 1 Ga Ga1 1 10.13716957 0.89831029 0.45212288 1 Ga Ga2 1 9.41099281 -0.89831029 3.16801994 1 Ga Ga3 1 1.73308288 -0.89831029 4.97967125 1 Sn Sn4 1 7.06697641 -2.07026517 4.72150095 1 Sn Sn5 1 4.07709928 -2.07026517 3.42619024 1 Sn Sn6 1 4.80327604 2.07026517 0.71029318 1 Sn Sn7 1 7.79315318 2.07026517 2.00560389 1 Sn Sn8 1 6.29821461 -1.12922947 1.35794853 1 Sn Sn9 1 5.57203784 1.12922947 4.07384559 1 N N10 1 7.82455392 -2.13260347 2.67531119 1 N N11 1 4.77187530 -2.13260347 0.04058588 1 N N12 1 4.04569853 2.13260347 2.75648294 1 N N13 1 7.09837716 2.13260347 5.39120825 1 N N14 1 2.98477639 0.81555710 0.36491189 1 N N15 1 9.61165282 0.81555710 2.35098517 1 N N16 1 8.88547606 -0.81555710 5.06688223 1 N N17 1 2.25859963 -0.81555710 3.08080896 1 [/CIF]
Ga4N8Sn6
C2/c
15
monoclinic
2/m
5,685.184546
false
[CIF] data_BTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95812301 _cell_length_b 2.95812301 _cell_length_c 9.58982955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BTe2Ir _chemical_formula_sum 'B1 Te2 Ir1' _cell_volume 83.91572429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.43100241 1 Ir Ir1 1 1.47906150 1.47906150 5.68925010 1 Te Te2 1 0.00000000 0.00000000 8.85663702 1 Te Te3 1 1.47906150 1.47906150 2.99768434 1 [/CIF]
BIrTe2
P4mm
99
tetragonal
4mm
9,067.496013
false
[CIF] data_CsGaH4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81113400 _cell_length_b 5.84422200 _cell_length_c 7.75880900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsGaH4 _chemical_formula_sum 'Cs4 Ga4 H16' _cell_volume 444.87804441 _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 Cs Cs0 1 6.71563047 1.46105550 1.27327727 1 Cs Cs1 1 1.81006347 1.46105550 2.60612723 1 Cs Cs2 1 8.00107053 4.38316650 5.15268177 1 Cs Cs3 1 3.09550353 4.38316650 6.48553173 1 Ga Ga4 1 9.22040052 4.38316650 1.52079725 1 Ga Ga5 1 4.31483352 4.38316650 2.35860725 1 Ga Ga6 1 5.49630048 1.46105550 5.40020175 1 Ga Ga7 1 0.59073348 1.46105550 6.23801175 1 H H8 1 8.07705050 4.38316650 0.40710735 1 H H9 1 0.88408658 4.38316650 0.91534728 1 H H10 1 4.12482668 3.08766600 1.43003726 1 H H11 1 4.12482668 5.67866700 1.43003726 1 H H12 1 9.03039368 3.08766600 2.44936724 1 H H13 1 9.03039368 5.67866700 2.44936724 1 H H14 1 5.78965358 4.38316650 2.96405722 1 H H15 1 3.17148350 4.38316650 3.47229715 1 H H16 1 6.63965050 1.46105550 4.28651185 1 H H17 1 4.02148042 1.46105550 4.79475178 1 H H18 1 0.78074032 0.16555500 5.30944176 1 H H19 1 0.78074032 2.75655600 5.30944176 1 H H20 1 5.68630732 0.16555500 6.32877174 1 H H21 1 5.68630732 2.75655600 6.32877174 1 H H22 1 8.92704742 1.46105550 6.84346172 1 H H23 1 1.73408350 1.46105550 7.35170165 1 [/CIF]
Cs4Ga4H16
Pnma
62
orthorhombic
mmm
3,085.495989
false
[CIF] data_Re2TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94933647 _cell_length_b 3.94933647 _cell_length_c 4.07040068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcHg _chemical_formula_sum 'Re2 Tc1 Hg1' _cell_volume 63.48709182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.97466823 1.97466823 0.00000000 1 Re Re1 1 1.97466823 0.00000000 2.03520034 1 Re Re2 1 0.00000000 1.97466823 2.03520034 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRe2Tc
P4/mmm
123
tetragonal
4/mmm
17,574.173022
false
[CIF] data_TeRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88452552 _cell_length_b 4.88452552 _cell_length_c 4.91581924 _cell_angle_alpha 100.49091579 _cell_angle_beta 100.49091579 _cell_angle_gamma 37.37149929 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeRhW2 _chemical_formula_sum 'Te1 Rh1 W2' _cell_volume 69.86199814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27752059 -0.00000000 2.61873870 1 Te Te1 1 6.63247337 -0.00000000 1.15651246 1 W W2 1 8.16966820 -0.00000000 4.73613407 1 W W3 1 1.69346122 -0.00000000 3.54900712 1 [/CIF]
RhTeW2
Cm
8
monoclinic
m
14,218.178957
false
[CIF] data_InBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23957339 _cell_length_b 9.23957339 _cell_length_c 3.63419623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.84698969 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBr3 _chemical_formula_sum 'In2 Br6' _cell_volume 301.23390822 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 5.69816623 5.03876652 2.72564717 1 Br Br1 1 5.69816623 -5.03876652 0.90854906 1 Br Br2 1 7.48205050 1.91554739 2.72564717 1 Br Br3 1 3.91428196 -1.91554739 0.90854906 1 Br Br4 1 7.48205050 -1.91554739 0.90854906 1 Br Br5 1 3.91428196 1.91554739 2.72564717 1 In In6 1 5.69816623 -2.96943455 2.72564717 1 In In7 1 5.69816623 2.96943455 0.90854906 1 [/CIF]
Br6In2
Cmcm
63
orthorhombic
mmm
3,908.662997
false
[CIF] data_SrSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07034701 _cell_length_b 6.07034701 _cell_length_c 5.54979559 _cell_angle_alpha 108.51698316 _cell_angle_beta 108.51698316 _cell_angle_gamma 42.44363650 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSbPb2 _chemical_formula_sum 'Sr1 Sb1 Pb2' _cell_volume 129.75670787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.44649814 0.00000000 4.97695604 1 Pb Pb1 1 1.34522194 0.00000000 3.83022539 1 Sb Sb2 1 4.69990876 -0.00000000 2.91417514 1 Sr Sr3 1 8.07494569 0.00000000 1.32310449 1 [/CIF]
Pb2SbSr
Cm
8
monoclinic
m
7,982.716855
false
[CIF] data_BaTcBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35589702 _cell_length_b 5.35589702 _cell_length_c 5.35589702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTcBi2 _chemical_formula_sum 'Ba1 Tc1 Bi2' _cell_volume 108.63797345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.78719110 3.78719110 3.78719110 1 Bi Bi1 1 5.68078665 5.68078665 5.68078665 1 Bi Bi2 1 1.89359555 1.89359555 1.89359555 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBi2Tc
Fm-3m
225
cubic
m-3m
9,999.401311
false
[CIF] data_TlNiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28084092 _cell_length_b 5.28084092 _cell_length_c 5.28084092 _cell_angle_alpha 139.97710491 _cell_angle_beta 129.58838996 _cell_angle_gamma 66.23067596 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiAu2 _chemical_formula_sum 'Tl1 Ni1 Au2' _cell_volume 71.90510018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 8.83639840 1 Au Au1 1 1.80714540 -0.00000000 2.40106320 1 Ni Ni2 1 -0.00000000 -0.00000000 4.42291452 1 Tl Tl3 1 0.00000000 2.24895681 2.03197232 1 [/CIF]
Au2NiTl
Imm2
44
orthorhombic
mm2
15,172.644228
false
[CIF] data_HfCrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26230503 _cell_length_b 4.26230503 _cell_length_c 4.26230503 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrFe2 _chemical_formula_sum 'Hf1 Cr1 Fe2' _cell_volume 54.75434421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 3.01390479 3.01390479 3.01390479 1 Fe Fe2 1 4.52085719 4.52085719 4.52085719 1 Hf Hf3 1 1.50695240 1.50695240 1.50695240 1 [/CIF]
CrFe2Hf
F-43m
216
cubic
-43m
10,377.200017
false
[CIF] data_CaGaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49672175 _cell_length_b 5.49672175 _cell_length_c 5.49672175 _cell_angle_alpha 148.76735449 _cell_angle_beta 127.64648608 _cell_angle_gamma 62.23431713 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaOs2 _chemical_formula_sum 'Ca1 Ga1 Os2' _cell_volume 67.53765158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 4.70581142 1 Os Os2 1 1.47968562 0.00000000 2.65303248 1 Os Os3 1 -0.00000000 2.42483388 2.05277894 1 [/CIF]
CaGaOs2
Immm
71
orthorhombic
mmm
12,053.98062
false
[CIF] data_Hf2NbBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49248829 _cell_length_b 5.49248829 _cell_length_c 5.49248829 _cell_angle_alpha 133.04315389 _cell_angle_beta 133.04315389 _cell_angle_gamma 68.58638539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NbBi _chemical_formula_sum 'Hf2 Nb1 Bi1' _cell_volume 86.91225635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 4.53770291 1 Hf Hf1 1 -0.00000000 2.18822758 2.26885146 1 Hf Hf2 1 2.18822758 -0.00000000 2.26885146 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHf2Nb
I4/mmm
139
tetragonal
4/mmm
12,588.259398
false
[CIF] data_Mg2AlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92038242 _cell_length_b 2.92038242 _cell_length_c 8.75524847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.06594945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AlAg _chemical_formula_sum 'Mg2 Al1 Ag1' _cell_volume 74.56342464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.00903911 0.00000000 4.19339052 1 Al Al1 1 0.00000000 0.00000000 2.38834283 1 Mg Mg2 1 2.00903911 0.00000000 0.14650595 1 Mg Mg3 1 0.00000000 0.00000000 6.40463341 1 [/CIF]
AgAlMg2
Cmm2
35
orthorhombic
mm2
4,085.67692
false
[CIF] data_LiZnCrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75958946 _cell_length_b 4.75958946 _cell_length_c 4.75958946 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnCrBi _chemical_formula_sum 'Li1 Zn1 Cr1 Bi1' _cell_volume 76.24186011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.04830697 5.04830697 5.04830697 1 Cr Cr1 1 3.36553798 3.36553798 3.36553798 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.68276899 1.68276899 1.68276899 1 [/CIF]
BiCrLiZn
F-43m
216
cubic
-43m
7,259.181751
false
[CIF] data_Ni3RhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28415775 _cell_length_b 4.28415775 _cell_length_c 4.28415775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3RhSe _chemical_formula_sum 'Ni3 Rh1 Se1' _cell_volume 78.63146402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14207888 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 2.14207888 1 Ni Ni2 1 2.14207888 0.00000000 0.00000000 1 Rh Rh3 1 2.14207888 2.14207888 2.14207888 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni3RhSe
Pm-3m
221
cubic
m-3m
7,559.096425
false
[CIF] data_HfCrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26380270 _cell_length_b 4.26380270 _cell_length_c 4.26380270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrRu _chemical_formula_sum 'Hf1 Cr1 Ru1' _cell_volume 54.81208238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.01496380 3.01496380 3.01496380 1 Ru Ru2 1 4.52244570 4.52244570 4.52244570 1 [/CIF]
CrHfRu
F-43m
216
cubic
-43m
10,044.53458
false
[CIF] data_Tc3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76587382 _cell_length_b 8.76587382 _cell_length_c 8.76587382 _cell_angle_alpha 156.89243933 _cell_angle_beta 156.89243933 _cell_angle_gamma 32.90848309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3B _chemical_formula_sum 'Tc6 B2' _cell_volume 103.65577849 _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 -0.00000000 0.00000000 10.15210421 1 B B1 1 -0.00000000 0.00000000 6.66165269 1 Tc Tc2 1 0.00000000 1.75569624 -0.00000000 1 Tc Tc3 1 1.75569624 0.00000000 -0.00000000 1 Tc Tc4 1 1.75569624 -0.00000000 4.20343922 1 Tc Tc5 1 -0.00000000 1.75569624 4.20343923 1 Tc Tc6 1 0.00000000 0.00000000 14.66955346 1 Tc Tc7 1 0.00000000 0.00000000 2.14420344 1 [/CIF]
B2Tc6
I4/mmm
139
tetragonal
4/mmm
9,853.091113
false
[CIF] data_AgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31582786 _cell_length_b 5.31582786 _cell_length_c 6.67979605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2 _chemical_formula_sum 'Ag2 Bi4' _cell_volume 163.46909275 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 3.06909465 1.66994901 1 Ag Ag1 1 2.65791393 1.53454732 5.00984704 1 Bi Bi2 1 0.00000000 0.00000000 0.00000000 1 Bi Bi3 1 0.00000000 0.00000000 3.33989803 1 Bi Bi4 1 2.65791393 1.53454732 1.66994901 1 Bi Bi5 1 0.00000000 3.06909465 5.00984704 1 [/CIF]
Ag2Bi4
P6_3/mmc
194
hexagonal
6/mmm
10,682.870776
false
[CIF] data_GaNi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98174033 _cell_length_b 2.98174033 _cell_length_c 5.53405562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNi2Ge _chemical_formula_sum 'Ga1 Ni2 Ge1' _cell_volume 49.20204554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46318486 1 Ge Ge1 1 1.49087017 1.49087017 4.44453936 1 Ni Ni2 1 0.00000000 0.00000000 0.03719942 1 Ni Ni3 1 1.49087017 1.49087017 1.35615979 1 [/CIF]
GaGeNi2
P4mm
99
tetragonal
4mm
8,766.397528
false
[CIF] data_MnTc2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35404536 _cell_length_b 4.35404536 _cell_length_c 4.35404536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTc2Au _chemical_formula_sum 'Mn1 Tc2 Au1' _cell_volume 58.36652669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07877500 3.07877500 3.07877500 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.53938750 1.53938750 1.53938750 1 Tc Tc3 1 4.61816250 4.61816250 4.61816250 1 [/CIF]
AuMnTc2
Fm-3m
225
cubic
m-3m
12,794.53675
false
[CIF] data_TcTe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30909976 _cell_length_b 4.26479529 _cell_length_c 5.52637401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTe2Ru _chemical_formula_sum 'Tc1 Te2 Ru1' _cell_volume 77.99168861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65454988 0.00000000 2.76318701 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.13239765 2.76318701 1 Te Te3 1 1.65454988 2.13239765 0.00000000 1 [/CIF]
RuTcTe2
Pmmm
47
orthorhombic
mmm
9,691.261668
false
[CIF] data_Tl2AgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28626888 _cell_length_b 3.28626888 _cell_length_c 10.52082293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.34057461 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2AgTe _chemical_formula_sum 'Tl2 Ag1 Te1' _cell_volume 112.68908372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 0.00000000 5.26041147 1 Tl Tl2 1 2.17022296 0.00000000 8.23385705 1 Tl Tl3 1 2.17022296 0.00000000 2.28696588 1 [/CIF]
AgTeTl2
Cmmm
65
orthorhombic
mmm
9,493.173767
false
[CIF] data_LiInAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84397049 _cell_length_b 4.84397049 _cell_length_c 4.84397049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInAgHg _chemical_formula_sum 'Li1 In1 Ag1 Hg1' _cell_volume 80.36916714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42520438 3.42520438 3.42520438 1 Hg Hg1 1 1.71260219 1.71260219 1.71260219 1 In In2 1 5.13780657 5.13780657 5.13780657 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHgInLi
F-43m
216
cubic
-43m
8,888.887283
false
[CIF] data_KBe4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87577030 _cell_length_b 4.87577030 _cell_length_c 4.87577030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe4Si _chemical_formula_sum 'K1 Be4 Si1' _cell_volume 81.96240890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32854232 4.32854232 2.56683816 1 Be Be1 1 4.32854232 2.56683816 4.32854232 1 Be Be2 1 2.56683816 4.32854232 4.32854232 1 Be Be3 1 2.56683816 2.56683816 2.56683816 1 K K4 1 5.17153536 5.17153536 5.17153536 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be4KSi
F-43m
216
cubic
-43m
2,091.466661
false
[CIF] data_ZrAuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29234763 _cell_length_b 4.29234763 _cell_length_c 4.29234763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAuF3 _chemical_formula_sum 'Zr1 Au1 F3' _cell_volume 79.08327800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14617381 2.14617381 2.14617381 1 F F1 1 2.14617381 0.00000000 0.00000000 1 F F2 1 0.00000000 2.14617381 0.00000000 1 F F3 1 0.00000000 0.00000000 2.14617381 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuF3Zr
Pm-3m
221
cubic
m-3m
7,247.985733
false
[CIF] data_TaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17723418 _cell_length_b 4.17723418 _cell_length_c 5.13553872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCu _chemical_formula_sum 'Ta2 Cu2' _cell_volume 77.60581887 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.08861709 1.20586364 3.85165404 1 Cu Cu1 1 0.00000000 2.41172728 1.28388468 1 Ta Ta2 1 2.08861709 1.20586364 1.28388468 1 Ta Ta3 1 0.00000000 2.41172728 3.85165404 1 [/CIF]
Cu2Ta2
P6_3/mmc
194
hexagonal
6/mmm
10,462.917475
false
[CIF] data_SrTa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77574378 _cell_length_b 5.77574378 _cell_length_c 5.77574378 _cell_angle_alpha 139.13060105 _cell_angle_beta 139.13060105 _cell_angle_gamma 59.17576766 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Ir _chemical_formula_sum 'Sr1 Ta2 Ir1' _cell_volume 81.69608251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 -0.00000000 5.02258311 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 2.01654099 -0.00000000 2.51129156 1 Ta Ta3 1 -0.00000000 2.01654099 2.51129156 1 [/CIF]
IrSrTa2
I4/mmm
139
tetragonal
4/mmm
13,043.738274
false
[CIF] data_SrHfTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02995221 _cell_length_b 5.02995221 _cell_length_c 5.02995221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfTa2 _chemical_formula_sum 'Sr1 Hf1 Ta2' _cell_volume 89.98633826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.33506998 5.33506998 5.33506998 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.77835666 1.77835666 1.77835666 1 Ta Ta3 1 3.55671332 3.55671332 3.55671332 1 [/CIF]
HfSrTa2
F-43m
216
cubic
-43m
11,588.73801
false
[CIF] data_La2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27382982 _cell_length_b 5.27382982 _cell_length_c 4.06482428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HgGe _chemical_formula_sum 'La2 Hg1 Ge1' _cell_volume 113.05609970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.63691491 2.63691491 0.00000000 1 La La2 1 2.63691491 0.00000000 2.12870376 1 La La3 1 0.00000000 2.63691491 1.93612052 1 [/CIF]
GeHgLa2
P-4m2
115
tetragonal
-42m
8,093.55684
false
[CIF] data_FePt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27558308 _cell_length_b 5.27558308 _cell_length_c 5.27558308 _cell_angle_alpha 149.91606692 _cell_angle_beta 62.26923348 _cell_angle_gamma 126.87171639 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePt3 _chemical_formula_sum 'Fe1 Pt3' _cell_volume 58.34519879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00492958 1 Pt Pt1 1 1.36915346 2.15122140 -0.74736457 1 Pt Pt2 1 1.36915346 -0.00000000 2.27621215 1 Pt Pt3 1 0.00000000 2.36443953 1.61187302 1 [/CIF]
FePt3
Imm2
44
orthorhombic
mm2
18,246.002003
false
[CIF] data_KMnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87060400 _cell_length_b 2.87060400 _cell_length_c 7.81496141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnFe2 _chemical_formula_sum 'K1 Mn1 Fe2' _cell_volume 64.39815265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43530200 1.43530200 5.07044316 1 Fe Fe1 1 1.43530200 1.43530200 2.74451825 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 3.90748071 1 [/CIF]
Fe2KMn
P4/mmm
123
tetragonal
4/mmm
5,304.758271
false
[CIF] data_MnNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95223610 _cell_length_b 3.95223610 _cell_length_c 3.95223610 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi2P _chemical_formula_sum 'Mn1 Ni2 P1' _cell_volume 43.65295479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19197943 4.19197943 4.19197943 1 Ni Ni1 1 1.39732648 1.39732648 1.39732648 1 Ni Ni2 1 2.79465295 2.79465295 2.79465295 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnNi2P
F-43m
216
cubic
-43m
7,733.388971
false
[CIF] data_TeOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05486358 _cell_length_b 3.05486358 _cell_length_c 7.12752067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOs2Pt _chemical_formula_sum 'Te1 Os2 Pt1' _cell_volume 66.51538776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.52743179 1.52743179 1.87649501 1 Os Os1 1 1.52743179 1.52743179 5.25102566 1 Pt Pt2 1 0.00000000 0.00000000 3.56376034 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2PtTe
P4/mmm
123
tetragonal
4/mmm
17,553.804026
false
[CIF] data_AcPrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65562700 _cell_length_b 4.65562700 _cell_length_c 4.65562700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcPrO3 _chemical_formula_sum 'Ac1 Pr1 O3' _cell_volume 100.91007630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 2.32781350 2.32781350 2.32781350 1 O O1 1 2.32781350 2.32781350 0.00000000 1 O O2 1 0.00000000 2.32781350 2.32781350 1 O O3 1 2.32781350 0.00000000 2.32781350 1 Pr Pr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcO3Pr
Pm-3m
221
cubic
m-3m
6,843.993556
false
[CIF] data_Zr2InHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48554229 _cell_length_b 4.48554229 _cell_length_c 4.36254432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2InHg _chemical_formula_sum 'Zr2 In1 Hg1' _cell_volume 87.77478276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24277114 2.24277114 0.00000000 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.24277114 2.18127216 1 Zr Zr3 1 2.24277114 0.00000000 2.18127216 1 [/CIF]
HgInZr2
P4/mmm
123
tetragonal
4/mmm
9,418.529008
false
[CIF] data_Ba2NaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66150328 _cell_length_b 5.81718986 _cell_length_c 7.37871872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaZr _chemical_formula_sum 'Ba2 Na1 Zr1' _cell_volume 157.16419815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.97769015 1 Ba Ba1 1 1.83075164 2.90859493 2.10234314 1 Na Na2 1 0.00000000 0.00000000 3.73614966 1 Zr Zr3 1 1.83075164 2.90859493 5.63061378 1 [/CIF]
Ba2NaZr
Pmm2
25
orthorhombic
mm2
4,108.633711
false
[CIF] data_MgCo2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67447910 _cell_length_b 2.67447910 _cell_length_c 8.15324878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.41423069 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2Ag _chemical_formula_sum 'Mg1 Co2 Ag1' _cell_volume 58.14587834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.07662439 1 Co Co1 1 1.81690786 0.00000000 6.12701864 1 Co Co2 1 1.81690786 0.00000000 2.02623014 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCo2Mg
Cmmm
65
orthorhombic
mmm
7,140.669627
false
[CIF] data_CoSnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18964140 _cell_length_b 3.18964140 _cell_length_c 9.52663749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnTe2 _chemical_formula_sum 'Co1 Sn1 Te2' _cell_volume 96.92222123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 4.60628737 1 Sn Sn1 1 1.59482070 1.59482070 6.49887232 1 Te Te2 1 0.00000000 0.00000000 9.41331623 1 Te Te3 1 1.59482070 1.59482070 3.29811780 1 [/CIF]
CoSnTe2
P4mm
99
tetragonal
4mm
7,415.794242
false
[CIF] data_VCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31816337 _cell_length_b 4.31816337 _cell_length_c 4.31816337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdTc _chemical_formula_sum 'V1 Cd1 Tc1' _cell_volume 56.93537807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52670130 1.52670130 1.52670130 1 Tc Tc1 1 3.05340260 3.05340260 3.05340260 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdTcV
F-43m
216
cubic
-43m
7,648.861423
false
[CIF] data_VPtRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38504324 _cell_length_b 4.38504324 _cell_length_c 4.38504324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPtRhW _chemical_formula_sum 'V1 Pt1 Rh1 W1' _cell_volume 59.62201404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10069381 3.10069381 3.10069381 1 Rh Rh1 1 1.55034691 1.55034691 1.55034691 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.65104072 4.65104072 4.65104072 1 [/CIF]
PtRhVW
F-43m
216
cubic
-43m
14,838.261896
false
[CIF] data_Ba2TbNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00799206 _cell_length_b 6.00799206 _cell_length_c 6.00799206 _cell_angle_alpha 120.38253887 _cell_angle_beta 120.38253887 _cell_angle_gamma 89.33869050 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TbNbO6 _chemical_formula_sum 'Ba2 Tb1 Nb1 O6' _cell_volume 152.44854519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98661000 2.13636900 1 Ba Ba1 1 2.98661000 0.00000000 2.13636900 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 O O3 1 1.80416003 -1.35043012 4.27273800 1 O O4 1 1.63617988 1.18244997 0.00000000 1 O O5 1 1.35043012 1.80416003 4.27273800 1 O O6 1 1.18244997 4.33704012 0.00000000 1 O O7 1 -0.00000000 0.00000000 2.01812973 1 O O8 1 -0.00000000 0.00000000 6.52734627 1 Tb Tb9 1 0.00000000 -0.00000000 4.27273800 1 [/CIF]
Ba2NbO6Tb
I4/m
87
tetragonal
4/m
6,780.359195
false
[CIF] data_LiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13384637 _cell_length_b 6.13384637 _cell_length_c 1.65452135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiC _chemical_formula_sum 'Li3 C3' _cell_volume 53.90993357 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 3.06692319 1.77068893 0.82726068 1 C C2 1 0.00000000 3.54137786 0.82726068 1 Li Li3 1 -1.05365013 1.82497555 0.00000000 1 Li Li4 1 2.01327306 3.48709123 0.00000000 1 Li Li5 1 2.10730025 0.00000000 0.00000000 1 [/CIF]
C3Li3
P-62m
189
hexagonal
-6m2
1,751.219258
false
[CIF] data_BaPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99905208 _cell_length_b 6.99905208 _cell_length_c 6.99905208 _cell_angle_alpha 38.57598852 _cell_angle_beta 38.57598852 _cell_angle_gamma 38.57598852 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPbAu2 _chemical_formula_sum 'Ba1 Pb1 Au2' _cell_volume 119.79276413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 -0.00000000 19.21210882 1 Au Au1 1 0.00000000 0.00000000 5.47945103 1 Ba Ba2 1 -0.00000000 0.00000000 9.97312492 1 Pb Pb3 1 -0.00000000 -0.00000000 13.85991024 1 [/CIF]
Au2BaPb
R3m
160
trigonal
3m
10,236.360414
false
[CIF] data_YH2(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53852374 _cell_length_b 8.53852374 _cell_length_c 9.62255300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.29702254 _symmetry_Int_Tables_number 1 _chemical_formula_structural YH2(CO3)2 _chemical_formula_sum 'Y4 H8 C8 O24' _cell_volume 572.57878480 _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 Y Y0 1 3.92300700 -3.13355452 2.40563825 1 Y Y1 1 3.92300700 -3.13922732 7.21691475 1 Y Y2 1 3.92300700 3.13355452 7.21691475 1 Y Y3 1 3.92300700 3.13922732 2.40563825 1 H H4 1 7.02650568 -1.54119657 2.32374070 1 H H5 1 0.81950832 1.54119657 7.13501720 1 H H6 1 0.80135264 1.54242517 2.58104777 1 H H7 1 7.04466136 1.54242517 2.23022873 1 H H8 1 7.02650568 1.54119657 7.29881230 1 H H9 1 0.81950832 -1.54119657 2.48753580 1 H H10 1 0.80135264 -1.54242517 7.04150523 1 H H11 1 7.04466136 -1.54242517 7.39232427 1 C C12 1 4.69541962 0.00467930 7.31042672 1 C C13 1 3.15059438 0.00467930 7.12340278 1 C C14 1 4.69541962 -0.00467930 2.31212628 1 C C15 1 3.15059438 -0.00467930 2.49915022 1 C C16 1 5.42769595 -3.41720210 4.80746597 1 C C17 1 2.41831805 -3.41720210 0.00381053 1 C C18 1 5.42769595 3.41720210 4.81508703 1 C C19 1 2.41831805 3.41720210 9.61874247 1 O O20 1 5.86302027 -3.81005865 1.13710671 1 O O21 1 5.86276920 -3.83234032 8.47210943 1 O O22 1 5.27020291 -1.13173115 2.31571549 1 O O23 1 5.25551517 -1.12511794 7.45281164 1 O O24 1 4.32595474 -2.71535996 4.81575099 1 O O25 1 3.92300700 -5.49368194 2.40563825 1 O O26 1 3.92300700 -5.49723123 7.21691475 1 O O27 1 3.52005926 -2.71535996 9.61807851 1 O O28 1 2.59049883 -1.12511794 6.98101786 1 O O29 1 2.57581109 -1.13173115 2.49556101 1 O O30 1 1.98299373 -3.81005865 3.67416979 1 O O31 1 1.98324480 -3.83234032 5.96172007 1 O O32 1 5.86302027 3.81005865 8.48544629 1 O O33 1 5.86276920 3.83234032 1.15044357 1 O O34 1 5.27020291 1.13173115 7.30683751 1 O O35 1 5.25551517 1.12511794 2.16974136 1 O O36 1 4.32595474 2.71535996 4.80680201 1 O O37 1 3.92300700 5.49723123 2.40563825 1 O O38 1 3.92300700 5.49368194 7.21691475 1 O O39 1 3.52005926 2.71535996 0.00447449 1 O O40 1 2.59049883 1.12511794 2.64153514 1 O O41 1 2.57581109 1.13173115 7.12699199 1 O O42 1 1.98324480 3.83234032 3.66083293 1 O O43 1 1.98299373 3.81005865 5.94838321 1 [/CIF]
C8H8O24Y4
C222_1
20
orthorhombic
222
2,446.987835
true
[CIF] data_CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60357510 _cell_length_b 4.60357510 _cell_length_c 4.60357510 _cell_angle_alpha 36.16875933 _cell_angle_beta 36.16875933 _cell_angle_gamma 36.16875933 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAu _chemical_formula_sum 'Cu1 Au1' _cell_volume 30.40234996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 6.44652304 1 Cu Cu1 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuCu
R-3m
166
trigonal
-3m
14,228.877317
false
[CIF] data_MnCo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38232064 _cell_length_b 4.38232064 _cell_length_c 4.38232064 _cell_angle_alpha 131.90143589 _cell_angle_beta 131.90143589 _cell_angle_gamma 70.38474280 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCo2Rh _chemical_formula_sum 'Mn1 Co2 Rh1' _cell_volume 45.68935022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78589323 1.79066363 1 Co Co1 1 1.78589323 0.00000000 1.79066363 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 3.58132726 1 [/CIF]
Co2MnRh
I4/mmm
139
tetragonal
4/mmm
10,020.433995
false
[CIF] data_SrNbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40672204 _cell_length_b 3.40672204 _cell_length_c 7.26612096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbSe2 _chemical_formula_sum 'Sr1 Nb1 Se2' _cell_volume 84.32882008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 3.63306048 1 Se Se1 1 1.70336102 1.70336102 5.15855838 1 Se Se2 1 1.70336102 1.70336102 2.10756258 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSe2Sr
P4/mmm
123
tetragonal
4/mmm
6,664.429022
false
[CIF] data_ScPOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89320011 _cell_length_b 3.99429027 _cell_length_c 5.27141900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPOs2 _chemical_formula_sum 'Sc1 P1 Os2' _cell_volume 60.91799949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.18900989 1 Os Os1 1 1.44660006 1.99714513 1.29763079 1 P P2 1 0.00000000 0.00000000 2.51783198 1 Sc Sc3 1 1.44660006 1.99714513 3.90265584 1 [/CIF]
Os2PSc
Pmm2
25
orthorhombic
mm2
12,440.541213
false
[CIF] data_HfMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81723392 _cell_length_b 4.81723392 _cell_length_c 4.81723392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMo3 _chemical_formula_sum 'Hf1 Mo3' _cell_volume 111.78749058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 2.40861696 1 Mo Mo2 1 0.00000000 2.40861696 0.00000000 1 Mo Mo3 1 2.40861696 0.00000000 0.00000000 1 [/CIF]
HfMo3
Pm-3m
221
cubic
m-3m
6,927.658904
false
[CIF] data_Cd2HgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37303937 _cell_length_b 4.37303937 _cell_length_c 4.11043754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2HgB _chemical_formula_sum 'Cd2 Hg1 B1' _cell_volume 78.60584268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 2.18651968 2.05521877 1 Cd Cd2 1 2.18651968 0.00000000 2.05521877 1 Hg Hg3 1 2.18651968 2.18651968 0.00000000 1 [/CIF]
BCd2Hg
P4/mmm
123
tetragonal
4/mmm
9,215.158932
false
[CIF] data_TlCrInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70649992 _cell_length_b 4.70649992 _cell_length_c 4.70649992 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrInOs _chemical_formula_sum 'Tl1 Cr1 In1 Os1' _cell_volume 73.71895486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.99199701 4.99199701 4.99199702 1 Os Os2 1 1.66399900 1.66399900 1.66399901 1 Tl Tl3 1 3.32799801 3.32799801 3.32799801 1 [/CIF]
CrInOsTl
F-43m
216
cubic
-43m
12,646.301518
false
[CIF] data_BaMgVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11502318 _cell_length_b 5.11502318 _cell_length_c 5.11502318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgVPt _chemical_formula_sum 'Ba1 Mg1 V1 Pt1' _cell_volume 94.62977815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80843379 1.80843379 1.80843379 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.61686758 3.61686758 3.61686758 1 V V3 1 5.42530137 5.42530137 5.42530137 1 [/CIF]
BaMgPtV
F-43m
216
cubic
-43m
7,153.469212
false
[CIF] data_CuRe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41538739 _cell_length_b 5.41538739 _cell_length_c 2.92388984 _cell_angle_alpha 104.51883297 _cell_angle_beta 104.51883297 _cell_angle_gamma 119.08954701 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRe2Sb _chemical_formula_sum 'Cu1 Re2 Sb1' _cell_volume 65.12397520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.64934872 2.33410104 1.27060197 1 Re Re2 1 0.64934872 -2.33410104 1.27060197 1 Sb Sb3 1 2.74486974 -0.00000000 0.00000000 1 [/CIF]
CuRe2Sb
C2/m
12
monoclinic
2/m
14,220.812617
false
[CIF] data_CrNF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83353333 _cell_length_b 3.83353333 _cell_length_c 3.83353333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNF3 _chemical_formula_sum 'Cr1 N1 F3' _cell_volume 56.33752068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91676666 1.91676666 1.91676666 1 F F1 1 0.00000000 1.91676666 1.91676666 1 F F2 1 1.91676666 0.00000000 1.91676666 1 F F3 1 1.91676666 1.91676666 0.00000000 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrF3N
Pm-3m
221
cubic
m-3m
3,625.345908
false
[CIF] data_Mg2VMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85185482 _cell_length_b 2.85185482 _cell_length_c 8.85231099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VMo _chemical_formula_sum 'Mg2 V1 Mo1' _cell_volume 71.99651730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42592741 1.42592741 8.69286237 1 Mg Mg1 1 0.00000000 0.00000000 2.38577713 1 Mo Mo2 1 1.42592741 1.42592741 4.59704555 1 V V3 1 0.00000000 0.00000000 6.45509243 1 [/CIF]
Mg2MoV
P4mm
99
tetragonal
4mm
4,509.308171
false
[CIF] data_AlHgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66767869 _cell_length_b 5.66767869 _cell_length_c 6.02494526 _cell_angle_alpha 101.47388748 _cell_angle_beta 101.47388748 _cell_angle_gamma 36.13106449 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgBi2 _chemical_formula_sum 'Al1 Hg1 Bi2' _cell_volume 111.59000195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.84379983 0.00000000 4.51874268 1 Bi Bi2 1 7.67211595 0.00000000 1.37284128 1 Hg Hg3 1 4.75795789 0.00000000 2.94579198 1 [/CIF]
AlBi2Hg
C2/m
12
monoclinic
2/m
9,605.983047
false
[CIF] data_Co2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07378422 _cell_length_b 4.07378422 _cell_length_c 2.60318411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2W _chemical_formula_sum 'Co2 W1' _cell_volume 37.41377750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03689211 1.17600021 1.30159205 1 Co Co1 1 -0.00000000 2.35200042 1.30159205 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2W
P6/mmm
191
hexagonal
6/mmm
13,390.661967
false
[CIF] data_LiBeIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69616002 _cell_length_b 3.69616002 _cell_length_c 5.51410458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeIn2 _chemical_formula_sum 'Li1 Be1 In2' _cell_volume 75.33148503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84808001 1.84808001 4.19823774 1 In In1 1 0.00000000 0.00000000 5.32099909 1 In In2 1 1.84808001 1.84808001 1.53720145 1 Li Li3 1 0.00000000 0.00000000 2.72882322 1 [/CIF]
BeIn2Li
P4mm
99
tetragonal
4mm
5,413.545623
false
[CIF] data_Hf2MnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54773189 _cell_length_b 4.24910814 _cell_length_c 4.39023720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnSi _chemical_formula_sum 'Hf2 Mn1 Si1' _cell_volume 66.18149314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77386595 0.00000000 2.19511860 1 Hf Hf1 1 1.77386595 2.12455407 0.00000000 1 Mn Mn2 1 0.00000000 2.12455407 2.19511860 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2MnSi
Pmmm
47
orthorhombic
mmm
11,039.990807
false
[CIF] data_UO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62999371 _cell_length_b 3.62999371 _cell_length_c 3.62999371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UO _chemical_formula_sum 'U1 O1' _cell_volume 33.82225976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 U U1 1 2.56679317 2.56679317 2.56679317 1 [/CIF]
OU
Fm-3m
225
cubic
m-3m
12,471.784433
false
[CIF] data_TiMnZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48262214 _cell_length_b 4.48262214 _cell_length_c 4.48262214 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnZnAu _chemical_formula_sum 'Ti1 Mn1 Zn1 Au1' _cell_volume 63.69148818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75453876 4.75453876 4.75453876 1 Mn Mn1 1 3.16969251 3.16969251 3.16969251 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.58484625 1.58484625 1.58484625 1 [/CIF]
AuMnTiZn
F-43m
216
cubic
-43m
9,520.087183
false
[CIF] data_HfNbZn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12080360 _cell_length_b 5.12080360 _cell_length_c 5.12080360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbZn4 _chemical_formula_sum 'Hf1 Nb1 Zn4' _cell_volume 94.95096009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43143243 5.43143243 5.43143243 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.52747756 4.52747756 2.71443234 1 Zn Zn3 1 4.52747756 2.71443234 4.52747756 1 Zn Zn4 1 2.71443234 4.52747756 4.52747756 1 Zn Zn5 1 2.71443234 2.71443234 2.71443234 1 [/CIF]
HfNbZn4
F-43m
216
cubic
-43m
9,319.847502
false
[CIF] data_PrPa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17014841 _cell_length_b 5.17014841 _cell_length_c 5.17014841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrPa2Zn _chemical_formula_sum 'Pr1 Pa2 Zn1' _cell_volume 97.72237905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 5.48377050 5.48377050 5.48377050 1 Pa Pa1 1 1.82792350 1.82792350 1.82792350 1 Pr Pr2 1 3.65584700 3.65584700 3.65584700 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pa2PrZn
Fm-3m
225
cubic
m-3m
11,357.039418
false
[CIF] data_Li4CaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31221516 _cell_length_b 5.31221516 _cell_length_c 5.31221516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CaPt _chemical_formula_sum 'Li4 Ca1 Pt1' _cell_volume 106.00149048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 4.67019161 4.67019161 2.84241511 1 Li Li2 1 4.67019161 2.84241511 4.67019161 1 Li Li3 1 2.84241511 4.67019161 4.67019161 1 Li Li4 1 2.84241511 2.84241511 2.84241511 1 Pt Pt5 1 5.63445504 5.63445504 5.63445504 1 [/CIF]
CaLi4Pt
F-43m
216
cubic
-43m
4,118.799582
false
[CIF] data_Hf3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41088904 _cell_length_b 4.77555896 _cell_length_c 4.79785937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Re _chemical_formula_sum 'Hf3 Re1' _cell_volume 78.15185973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70544452 0.00000000 4.50749743 1 Hf Hf1 1 0.00000000 0.00000000 2.05537196 1 Hf Hf2 1 0.00000000 2.38777948 4.33881674 1 Re Re3 1 1.70544452 2.38777948 1.89260549 1 [/CIF]
Hf3Re
Pmm2
25
orthorhombic
mm2
15,333.900641
false
[CIF] data_MgScHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38815377 _cell_length_b 3.38815377 _cell_length_c 7.46122186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScHg2 _chemical_formula_sum 'Mg1 Sc1 Hg2' _cell_volume 85.65173797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.69407689 1.69407689 5.61603595 1 Hg Hg1 1 1.69407689 1.69407689 1.84518591 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 3.73061093 1 [/CIF]
Hg2MgSc
P4/mmm
123
tetragonal
4/mmm
9,120.532698
false
[CIF] data_KPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99464264 _cell_length_b 3.99464264 _cell_length_c 5.34938972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPPt _chemical_formula_sum 'K1 P1 Pt1' _cell_volume 73.92489874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.30630802 2.67469486 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.99732130 1.15315401 0.00000000 1 [/CIF]
KPPt
P-6m2
187
hexagonal
-6m2
5,956.071736
false
[CIF] data_Sc3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26327674 _cell_length_b 5.26327674 _cell_length_c 3.41627338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.27806211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Se _chemical_formula_sum 'Sc3 Se1' _cell_volume 87.57363486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46629510 -2.18529155 1.70813669 1 Sc Sc1 1 1.46629511 2.18529156 1.70813669 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.93259021 0.00000000 0.00000000 1 [/CIF]
Sc3Se
Cmmm
65
orthorhombic
mmm
4,054.522913
false
[CIF] data_SrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47011835 _cell_length_b 4.47011835 _cell_length_c 4.47011835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRe _chemical_formula_sum 'Sr1 Re1' _cell_volume 63.15999221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16085100 3.16085100 3.16085100 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSr
Fm-3m
225
cubic
m-3m
7,199.184406
false
[CIF] data_Na4GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57235237 _cell_length_b 5.57235237 _cell_length_c 5.57235237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4GeRu _chemical_formula_sum 'Na4 Ge1 Ru1' _cell_volume 122.34908254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 4.92026559 4.92026559 2.96023071 1 Na Na2 1 4.92026559 2.96023071 4.92026559 1 Na Na3 1 2.96023071 4.92026559 4.92026559 1 Na Na4 1 2.96023071 2.96023071 2.96023071 1 Ru Ru5 1 5.91037223 5.91037223 5.91037222 1 [/CIF]
GeNa4Ru
F-43m
216
cubic
-43m
3,605.69832
false
[CIF] data_KAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22533780 _cell_length_b 5.22533780 _cell_length_c 5.22533780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgSn _chemical_formula_sum 'K1 Ag1 Sn1' _cell_volume 100.88535239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69487179 3.69487179 3.69487179 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.54230769 5.54230769 5.54230769 1 [/CIF]
AgKSn
F-43m
216
cubic
-43m
4,372.946091
false
[CIF] data_NaCe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39064351 _cell_length_b 5.39064351 _cell_length_c 5.39064351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCe2Ge _chemical_formula_sum 'Na1 Ce2 Ge1' _cell_volume 110.76609349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71764087 5.71764087 5.71764087 1 Ce Ce1 1 1.90588029 1.90588029 1.90588029 1 Ge Ge2 1 3.81176058 3.81176058 3.81176058 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2GeNa
Fm-3m
225
cubic
m-3m
5,634.694985
false
[CIF] data_NaHfPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83251464 _cell_length_b 4.83251464 _cell_length_c 4.83251464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfPb _chemical_formula_sum 'Na1 Hf1 Pb1' _cell_volume 79.80030229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70855193 1.70855193 1.70855194 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.12565581 5.12565581 5.12565581 1 [/CIF]
HfNaPb
F-43m
216
cubic
-43m
8,504.087116
false
[CIF] data_ScBeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89609643 _cell_length_b 4.89609643 _cell_length_c 4.89609643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeBr2 _chemical_formula_sum 'Sc1 Be1 Br2' _cell_volume 82.99174412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.73103150 1.73103150 1.73103150 1 Br Br2 1 5.19309449 5.19309449 5.19309449 1 Sc Sc3 1 3.46206299 3.46206299 3.46206299 1 [/CIF]
BeBr2Sc
Fm-3m
225
cubic
m-3m
4,277.335768
false
[CIF] data_CdMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95251663 _cell_length_b 4.95251663 _cell_length_c 4.97421143 _cell_angle_alpha 98.50090754 _cell_angle_beta 98.50090754 _cell_angle_gamma 32.93814601 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoPd2 _chemical_formula_sum 'Cd1 Mo1 Pd2' _cell_volume 65.54505409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.35900769 0.00000000 2.57770496 1 Mo Mo1 1 6.91890018 0.00000000 1.04557715 1 Pd Pd2 1 -0.01384672 0.00000000 0.13950652 1 Pd Pd3 1 1.83376925 0.00000000 3.60934753 1 [/CIF]
CdMoPd2
Cm
8
monoclinic
m
10,671.092281
false
[CIF] data_FeMoPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34314381 _cell_length_b 4.34314381 _cell_length_c 4.34314381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoPtRh _chemical_formula_sum 'Fe1 Mo1 Pt1 Rh1' _cell_volume 57.92921349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.60659966 4.60659966 4.60659966 1 Pt Pt2 1 1.53553322 1.53553322 1.53553322 1 Rh Rh3 1 3.07106644 3.07106644 3.07106644 1 [/CIF]
FeMoPtRh
F-43m
216
cubic
-43m
12,893.34507
false
[CIF] data_HfSnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73126817 _cell_length_b 4.73126817 _cell_length_c 4.73126817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSnP _chemical_formula_sum 'Hf1 Sn1 P1' _cell_volume 74.88894244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34551181 3.34551181 3.34551181 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.67275591 1.67275591 1.67275591 1 [/CIF]
HfPSn
F-43m
216
cubic
-43m
7,276.713153
false
[CIF] data_YGaHg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97274237 _cell_length_b 5.97274237 _cell_length_c 5.97274237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaHg4 _chemical_formula_sum 'Y1 Ga1 Hg4' _cell_volume 150.66290882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.27913241 5.27913241 3.16760085 1 Hg Hg2 1 5.27913241 3.16760085 5.27913241 1 Hg Hg3 1 3.16760085 5.27913241 5.27913241 1 Hg Hg4 1 3.16760085 3.16760085 3.16760085 1 Y Y5 1 6.33504994 6.33504994 6.33504994 1 [/CIF]
GaHg4Y
F-43m
216
cubic
-43m
10,591.58847
false
[CIF] data_HfCoCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51275777 _cell_length_b 4.51275777 _cell_length_c 4.51275777 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoCuSn _chemical_formula_sum 'Hf1 Co1 Cu1 Sn1' _cell_volume 64.98469272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 4.78650243 4.78650243 4.78650243 1 Hf Hf2 1 3.19100162 3.19100162 3.19100162 1 Sn Sn3 1 1.59550081 1.59550081 1.59550081 1 [/CIF]
CoCuHfSn
F-43m
216
cubic
-43m
10,723.966978
false
[CIF] data_Zr2MnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17163763 _cell_length_b 3.17163763 _cell_length_c 7.84152589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2MnBr _chemical_formula_sum 'Zr2 Mn1 Br1' _cell_volume 78.88014577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 3.92076295 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.58581882 1.58581882 1.57071990 1 Zr Zr3 1 1.58581882 1.58581882 6.27080599 1 [/CIF]
BrMnZr2
P4/mmm
123
tetragonal
4/mmm
6,679.405952
false
[CIF] data_Re2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78316604 _cell_length_b 2.78316604 _cell_length_c 6.46755091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Ir _chemical_formula_sum 'Re2 Ir1' _cell_volume 43.38591088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 1.60686166 2.17302803 1 Re Re2 1 1.39158302 0.80343083 4.29452288 1 [/CIF]
IrRe2
P-3m1
164
trigonal
-3m
21,610.513967
false
[CIF] data_Cr2FeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51523126 _cell_length_b 4.51523126 _cell_length_c 4.51523126 _cell_angle_alpha 136.27131355 _cell_angle_beta 136.27131355 _cell_angle_gamma 63.56115801 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FeP _chemical_formula_sum 'Cr2 Fe1 P1' _cell_volume 43.41088802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68151859 -0.00000000 1.91913417 1 Cr Cr1 1 -0.00000000 1.68151859 1.91913417 1 Fe Fe2 1 0.00000000 -0.00000000 3.83826833 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2FeP
I4/mmm
139
tetragonal
4/mmm
7,298.838406
false
[CIF] data_VCdNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60120745 _cell_length_b 4.60120745 _cell_length_c 4.60120745 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdNiSn _chemical_formula_sum 'V1 Cd1 Ni1 Sn1' _cell_volume 68.88115889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88031749 4.88031749 4.88031749 1 Ni Ni1 1 1.62677249 1.62677250 1.62677250 1 Sn Sn2 1 3.25354499 3.25354499 3.25354499 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNiSnV
F-43m
216
cubic
-43m
8,214.706217
false
[CIF] data_MgScAlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59556959 _cell_length_b 4.59556959 _cell_length_c 4.59556959 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScAlRe _chemical_formula_sum 'Mg1 Sc1 Al1 Re1' _cell_volume 68.62826867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 4.87433763 4.87433763 4.87433763 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 3.24955842 3.24955842 3.24955842 1 Sc Sc3 1 1.62477921 1.62477921 1.62477921 1 [/CIF]
AlMgReSc
F-43m
216
cubic
-43m
6,834.185914
false
[CIF] data_CuRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87841724 _cell_length_b 2.87841724 _cell_length_c 8.95928407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.45249060 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRh2Br _chemical_formula_sum 'Cu1 Rh2 Br1' _cell_volume 63.99014755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42935411 0.00000000 4.43262255 1 Cu Cu1 1 0.00000000 0.00000000 2.15097520 1 Rh Rh2 1 1.42935411 0.00000000 0.04056343 1 Rh Rh3 1 0.00000000 0.00000000 6.81476493 1 [/CIF]
BrCuRh2
Cmm2
35
orthorhombic
mm2
9,063.294228
false
[CIF] data_ScSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19433244 _cell_length_b 3.19433244 _cell_length_c 8.55025324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSn2Ir _chemical_formula_sum 'Sc1 Sn2 Ir1' _cell_volume 87.24472983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59716622 1.59716622 4.43425111 1 Sc Sc1 1 0.00000000 0.00000000 5.98998918 1 Sn Sn2 1 1.59716622 1.59716622 8.34687931 1 Sn Sn3 1 0.00000000 0.00000000 2.60451350 1 [/CIF]
IrScSn2
P4mm
99
tetragonal
4mm
9,033.015809
false
[CIF] data_MgHgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59273169 _cell_length_b 5.59273169 _cell_length_c 3.24164323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgSb2 _chemical_formula_sum 'Mg1 Hg1 Sb2' _cell_volume 101.39421674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79636584 2.79636584 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.79636584 1.62082162 1 Sb Sb3 1 2.79636584 0.00000000 1.62082162 1 [/CIF]
HgMgSb2
P4/mmm
123
tetragonal
4/mmm
7,671.260076
false
[CIF] data_Re2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03041085 _cell_length_b 5.03041085 _cell_length_c 5.03041085 _cell_angle_alpha 131.08714341 _cell_angle_beta 131.08714341 _cell_angle_gamma 71.67466300 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SnHg _chemical_formula_sum 'Re2 Sn1 Hg1' _cell_volume 70.74963584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08259575 0.00000000 2.03903306 1 Re Re1 1 0.00000000 -0.00000000 4.07806611 1 Re Re2 1 -0.00000000 2.08259575 2.03903306 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRe2Sn
I-4m2
119
tetragonal
-42m
16,234.968652
false
[CIF] data_GaTcP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14148214 _cell_length_b 3.76040131 _cell_length_c 5.14906990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTcP2 _chemical_formula_sum 'Ga1 Tc1 P2' _cell_volume 60.82716532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18387613 1 P P1 1 1.57074107 1.88020066 4.84438692 1 P P2 1 0.00000000 0.00000000 1.72442943 1 Tc Tc3 1 1.57074107 1.88020066 2.11998227 1 [/CIF]
GaP2Tc
Pmm2
25
orthorhombic
mm2
6,294.583284
false
[CIF] data_PrI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89472378 _cell_length_b 8.89472378 _cell_length_c 8.89472378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrI2 _chemical_formula_sum 'Pr4 I8' _cell_volume 497.60232341 _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 Pr Pr0 1 8.02877291 8.02877291 10.83978559 1 Pr Pr1 1 10.83978559 10.83978559 10.83978559 1 Pr Pr2 1 8.02877291 10.83978559 8.02877291 1 Pr Pr3 1 10.83978559 8.02877291 8.02877291 1 I I4 1 4.72563048 4.72563048 1.56388902 1 I I5 1 7.70063610 7.70063610 7.70063610 1 I I6 1 1.56388902 1.56388902 1.56388902 1 I I7 1 1.56388902 4.72563048 4.72563048 1 I I8 1 7.70063610 4.87840290 4.87840290 1 I I9 1 4.87840290 4.87840290 7.70063610 1 I I10 1 4.72563048 1.56388902 4.72563048 1 I I11 1 4.87840290 7.70063610 4.87840290 1 [/CIF]
I32Pr16
F-43m
216
cubic
-43m
5,268.804321
false
[CIF] data_Li4FeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94610492 _cell_length_b 4.94610492 _cell_length_c 4.94610492 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4FeAg _chemical_formula_sum 'Li4 Fe1 Ag1' _cell_volume 85.56082754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.24613650 5.24613650 5.24613650 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 4.37834722 4.37834722 2.61650144 1 Li Li3 1 4.37834722 2.61650144 4.37834722 1 Li Li4 1 2.61650144 4.37834722 4.37834722 1 Li Li5 1 2.61650144 2.61650144 2.61650144 1 [/CIF]
AgFeLi4
F-43m
216
cubic
-43m
3,716.132489
false
[CIF] data_In5Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99706108 _cell_length_b 5.99706108 _cell_length_c 5.60257450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In5Ge _chemical_formula_sum 'In5 Ge1' _cell_volume 174.49991351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99853054 1.73120241 0.00000000 1 In In2 1 0.00000000 3.46240483 0.00000000 1 In In3 1 -1.49926527 2.59680362 2.80128725 1 In In4 1 1.49926527 2.59680362 2.80128725 1 In In5 1 2.99853054 0.00000000 2.80128725 1 [/CIF]
GeIn5
P6/mmm
191
hexagonal
6/mmm
6,154.27486
false
[CIF] data_YGaRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32833270 _cell_length_b 3.32833270 _cell_length_c 6.05055933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaRe2 _chemical_formula_sum 'Y1 Ga1 Re2' _cell_volume 67.02687744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.66416635 1.66416635 1.41047075 1 Re Re2 1 1.66416635 1.66416635 4.64008858 1 Y Y3 1 0.00000000 0.00000000 3.02527966 1 [/CIF]
GaRe2Y
P4/mmm
123
tetragonal
4/mmm
13,156.176031
false
[CIF] data_MgBAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29770161 _cell_length_b 4.29770161 _cell_length_c 4.29770161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBAs _chemical_formula_sum 'Mg1 B1 As1' _cell_volume 56.12983668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55840093 4.55840093 4.55840092 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.03893395 3.03893395 3.03893395 1 [/CIF]
AsBMg
F-43m
216
cubic
-43m
3,255.340553
false
[CIF] data_Si2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35864217 _cell_length_b 3.35864217 _cell_length_c 7.30736031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2AgBi _chemical_formula_sum 'Si2 Ag1 Bi1' _cell_volume 82.43051156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.35324286 1 Bi Bi1 1 1.67932108 1.67932108 5.42952648 1 Si Si2 1 0.00000000 0.00000000 0.68848159 1 Si Si3 1 1.67932108 1.67932108 1.48978954 1 [/CIF]
AgBiSi2
P4mm
99
tetragonal
4mm
7,514.373097
false
[CIF] data_CoNiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27473998 _cell_length_b 4.27473998 _cell_length_c 4.27473998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiCl2 _chemical_formula_sum 'Co1 Ni1 Cl2' _cell_volume 55.23496869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53404645 4.53404645 4.53404645 1 Cl Cl1 1 1.51134882 1.51134882 1.51134882 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 3.02269763 3.02269763 3.02269763 1 [/CIF]
Cl2CoNi
Fm-3m
225
cubic
m-3m
5,667.890229
false
[CIF] data_AlTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42750818 _cell_length_b 4.42750818 _cell_length_c 4.42750818 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlIr _chemical_formula_sum 'Al1 Tl1 Ir1' _cell_volume 61.37098868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.69608159 4.69608159 4.69608159 1 Tl Tl2 1 3.13072106 3.13072106 3.13072106 1 [/CIF]
AlIrTl
F-43m
216
cubic
-43m
11,461.021014
false
[CIF] data_FeNiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08296042 _cell_length_b 4.08296042 _cell_length_c 3.17890903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiBr _chemical_formula_sum 'Fe1 Ni1 Br1' _cell_volume 45.89433403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04148023 1.17864914 3.13444007 1 Fe Fe1 1 0.00000000 0.00000000 1.02005370 1 Ni Ni2 1 0.00000002 2.35729829 2.20332432 1 [/CIF]
BrFeNi
P3m1
156
trigonal
3m
7,035.273709
false
[CIF] data_LiSb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82087877 _cell_length_b 4.82087877 _cell_length_c 3.57947756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSb2P _chemical_formula_sum 'Li1 Sb2 P1' _cell_volume 83.19018021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 2.41043939 2.41043939 0.00000000 1 Sb Sb2 1 2.41043939 0.00000000 1.78973878 1 Sb Sb3 1 0.00000000 2.41043939 1.78973878 1 [/CIF]
LiPSb2
P4/mmm
123
tetragonal
4/mmm
5,617.651216
false