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_ZrSc4Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76959108 _cell_length_b 5.76959108 _cell_length_c 5.76959108 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc4Be _chemical_formula_sum 'Zr1 Sc4 Be1' _cell_volume 135.80635838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 3.06152219 5.09791177 5.09791177 1 Sc Sc2 1 5.09791177 5.09791177 3.06152219 1 Sc Sc3 1 5.09791177 3.06152219 5.09791177 1 Sc Sc4 1 3.06152219 3.06152219 3.06152219 1 Zr Zr5 1 6.11957547 6.11957547 6.11957547 1 [/CIF]
BeSc4Zr
F-43m
216
cubic
-43m
3,424.363147
false
[CIF] data_ZrTiCrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67215077 _cell_length_b 4.67215077 _cell_length_c 4.67215077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiCrIn _chemical_formula_sum 'Zr1 Ti1 Cr1 In1' _cell_volume 72.11665063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95556423 4.95556424 4.95556424 1 In In1 1 3.30370949 3.30370949 3.30370949 1 Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 1.65185474 1.65185474 1.65185475 1 [/CIF]
CrInTiZr
F-43m
216
cubic
-43m
7,043.690531
false
[CIF] data_TaGeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94546683 _cell_length_b 2.94546683 _cell_length_c 5.60328299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeB _chemical_formula_sum 'Ta1 Ge1 B1' _cell_volume 42.09993853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09864294 1 Ge Ge1 1 -0.00000000 1.70056607 1.59227294 1 Ta Ta2 1 1.47273342 0.85028303 3.91236711 1 [/CIF]
BGeTa
P3m1
156
trigonal
3m
10,428.629683
false
[CIF] data_CaZrTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99653390 _cell_length_b 4.99653390 _cell_length_c 4.99653390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrTi2 _chemical_formula_sum 'Ca1 Zr1 Ti2' _cell_volume 88.20465710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.76654150 1.76654150 1.76654150 1 Ti Ti2 1 5.29962450 5.29962450 5.29962450 1 Zr Zr3 1 3.53308300 3.53308300 3.53308300 1 [/CIF]
CaTi2Zr
Fm-3m
225
cubic
m-3m
4,274.175082
false
[CIF] data_NbTcNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25334508 _cell_length_b 4.25334508 _cell_length_c 4.25334508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTcNi2 _chemical_formula_sum 'Nb1 Tc1 Ni2' _cell_volume 54.40976622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.50378457 1.50378457 1.50378458 1 Ni Ni2 1 4.51135373 4.51135373 4.51135373 1 Tc Tc3 1 3.00756915 3.00756915 3.00756915 1 [/CIF]
NbNi2Tc
Fm-3m
225
cubic
m-3m
9,436.497995
false
[CIF] data_SrTlPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59972910 _cell_length_b 6.59972910 _cell_length_c 6.59972910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlPb4 _chemical_formula_sum 'Sr1 Tl1 Pb4' _cell_volume 203.26533968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.49538035 3.49538035 5.83804605 1 Pb Pb1 1 3.49538035 5.83804605 3.49538035 1 Pb Pb2 1 5.83804605 3.49538035 3.49538035 1 Pb Pb3 1 5.83804605 5.83804605 5.83804605 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.33335660 2.33335660 2.33335660 1 [/CIF]
Pb4SrTl
F-43m
216
cubic
-43m
9,156.197848
false
[CIF] data_FeAg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49848213 _cell_length_b 4.49848213 _cell_length_c 4.49848213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAg2Pd _chemical_formula_sum 'Fe1 Ag2 Pd1' _cell_volume 64.36992473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18090722 3.18090722 3.18090722 1 Ag Ag1 1 4.77136083 4.77136083 4.77136083 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.59045361 1.59045361 1.59045361 1 [/CIF]
Ag2FePd
F-43m
216
cubic
-43m
9,751.232342
false
[CIF] data_Ta2VSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31054269 _cell_length_b 3.31054269 _cell_length_c 6.11123249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VSe _chemical_formula_sum 'Ta2 V1 Se1' _cell_volume 66.97723135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 3.05561624 1 Ta Ta1 1 1.65527135 1.65527135 4.69314189 1 Ta Ta2 1 1.65527135 1.65527135 1.41809060 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SeTa2V
P4/mmm
123
tetragonal
4/mmm
12,192.928054
false
[CIF] data_ScCd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16325286 _cell_length_b 6.16325286 _cell_length_c 5.06570998 _cell_angle_alpha 109.16620204 _cell_angle_beta 109.16620204 _cell_angle_gamma 32.49130379 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Pb _chemical_formula_sum 'Sc1 Cd2 Pb1' _cell_volume 97.13340953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79755714 0.00000000 3.63113414 1 Cd Cd1 1 8.30447540 -0.00000000 1.12918010 1 Pb Pb2 1 5.05101627 0.00000000 2.38015712 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2PbSc
C2/m
12
monoclinic
2/m
8,154.150674
false
[CIF] data_LiCaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82267714 _cell_length_b 3.82267714 _cell_length_c 5.95028165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaAs2 _chemical_formula_sum 'Li1 Ca1 As2' _cell_volume 86.95063579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91133857 1.91133857 5.74574024 1 As As1 1 0.00000000 0.00000000 1.49286759 1 Ca Ca2 1 1.91133857 1.91133857 2.73705012 1 Li Li3 1 0.00000000 0.00000000 4.90004617 1 [/CIF]
As2CaLi
P4mm
99
tetragonal
4mm
3,759.574279
false
[CIF] data_SnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33761693 _cell_length_b 6.33761693 _cell_length_c 8.83628963 _cell_angle_alpha 94.34984138 _cell_angle_beta 94.34984138 _cell_angle_gamma 33.93020749 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnS _chemical_formula_sum 'Sn3 S3' _cell_volume 197.48244599 _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 S S0 1 7.45542802 -0.00000000 3.35918264 1 S S1 1 2.49856902 -0.00000000 6.43070557 1 S S2 1 4.89759013 -0.00000000 0.66005824 1 Sn Sn3 1 0.66388804 -0.00000000 1.24265175 1 Sn Sn4 1 0.34918206 -0.00000000 4.95425815 1 Sn Sn5 1 8.41794169 -0.00000000 8.31045982 1 [/CIF]
S3Sn3
Cm
8
monoclinic
m
3,803.392902
false
[CIF] data_LiCuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77110249 _cell_length_b 4.33476449 _cell_length_c 5.35403927 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.67921844 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuAg2 _chemical_formula_sum 'Li1 Cu1 Ag2' _cell_volume 63.39760160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.86038447 2.16738225 1.32508797 1 Ag Ag1 1 0.01053351 2.16738225 3.95273396 1 Cu Cu2 1 0.93545899 0.00000000 2.63891097 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CuLi
P2/m
10
monoclinic
2/m
7,496.894606
false
[CIF] data_HoFePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02166871 _cell_length_b 5.02166871 _cell_length_c 5.02166871 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoFePb2 _chemical_formula_sum 'Ho1 Fe1 Pb2' _cell_volume 89.54249205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 3.55085600 3.55085600 3.55085600 1 Pb Pb2 1 5.32628400 5.32628400 5.32628400 1 Pb Pb3 1 1.77542800 1.77542800 1.77542800 1 [/CIF]
FeHoPb2
Fm-3m
225
cubic
m-3m
11,779.138696
false
[CIF] data_KTaMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56096371 _cell_length_b 4.56096371 _cell_length_c 4.56096371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaMnV _chemical_formula_sum 'K1 Ta1 Mn1 V1' _cell_volume 67.08954602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 3.22508837 3.22508837 3.22508837 1 Ta Ta2 1 1.61254419 1.61254419 1.61254419 1 V V3 1 4.83763256 4.83763256 4.83763256 1 [/CIF]
KMnTaV
F-43m
216
cubic
-43m
8,067.015374
false
[CIF] data_KBe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95391330 _cell_length_b 2.95391330 _cell_length_c 7.59264624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBe2Ir _chemical_formula_sum 'K1 Be2 Ir1' _cell_volume 66.25042276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47695665 1.47695665 2.69461800 1 Be Be1 1 1.47695665 1.47695665 4.89802824 1 Ir Ir2 1 0.00000000 0.00000000 3.79632312 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2IrK
P4/mmm
123
tetragonal
4/mmm
6,249.633547
false
[CIF] data_TlCrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10221764 _cell_length_b 3.10221764 _cell_length_c 7.30311588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrP2 _chemical_formula_sum 'Tl1 Cr1 P2' _cell_volume 70.28339275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.22234690 1 P P1 1 1.55110882 1.55110882 6.99816654 1 P P2 1 0.00000000 0.00000000 1.20095739 1 Tl Tl3 1 1.55110882 1.55110882 3.83631888 1 [/CIF]
CrP2Tl
P4mm
99
tetragonal
4mm
7,520.899037
false
[CIF] data_YZnAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72698127 _cell_length_b 4.72698127 _cell_length_c 4.72698127 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnAgRu _chemical_formula_sum 'Y1 Zn1 Ag1 Ru1' _cell_volume 74.68556080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01372076 5.01372076 5.01372077 1 Ru Ru1 1 3.34248051 3.34248051 3.34248051 1 Y Y2 1 1.67124025 1.67124025 1.67124026 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRuYZn
F-43m
216
cubic
-43m
8,075.827757
false
[CIF] data_IrW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01367845 _cell_length_b 5.01367845 _cell_length_c 5.01367845 _cell_angle_alpha 134.34505544 _cell_angle_beta 134.34505544 _cell_angle_gamma 66.54955657 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrW2Au _chemical_formula_sum 'Ir1 W2 Au1' _cell_volume 63.43509133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19168066 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.94509445 -0.00000000 2.09584033 1 W W3 1 -0.00000000 1.94509445 2.09584033 1 [/CIF]
AuIrW2
I4/mmm
139
tetragonal
4/mmm
19,812.401905
false
[CIF] data_SrAg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98906388 _cell_length_b 4.98906388 _cell_length_c 4.98906388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAg2Pt _chemical_formula_sum 'Sr1 Ag2 Pt1' _cell_volume 87.80963981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29170135 5.29170135 5.29170135 1 Ag Ag1 1 3.52780090 3.52780090 3.52780090 1 Pt Pt2 1 1.76390045 1.76390045 1.76390045 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2PtSr
F-43m
216
cubic
-43m
9,425.841608
false
[CIF] data_Al2GaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08431759 _cell_length_b 5.01058727 _cell_length_c 5.30661731 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.91956953 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2GaSn _chemical_formula_sum 'Al2 Ga1 Sn1' _cell_volume 81.96372932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50276243 2.50529364 4.05953984 1 Al Al1 1 2.40380183 2.50529364 1.24409957 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.45328213 0.00000000 2.65181971 1 [/CIF]
Al2GaSn
P2/m
10
monoclinic
2/m
4,910.808221
false
[CIF] data_Y2BePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22270839 _cell_length_b 6.22270839 _cell_length_c 6.22270839 _cell_angle_alpha 146.74545901 _cell_angle_beta 138.52232473 _cell_angle_gamma 54.16475061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2BePt _chemical_formula_sum 'Y2 Be1 Pt1' _cell_volume 86.95261170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.22984029 1 Pt Pt1 1 0.00000000 2.20351610 2.15673051 1 Y Y2 1 -0.00000000 -0.00000000 10.92130397 1 Y Y3 1 1.78059352 0.00000000 2.85375098 1 [/CIF]
BePtY2
Imm2
44
orthorhombic
mm2
7,293.316963
false
[CIF] data_Sr2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49752164 _cell_length_b 3.49752164 _cell_length_c 9.02771055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ReGe _chemical_formula_sum 'Sr2 Re1 Ge1' _cell_volume 110.43289227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.18875581 1 Re Re1 1 1.74876082 1.74876082 6.06042577 1 Sr Sr2 1 0.00000000 0.00000000 8.29081663 1 Sr Sr3 1 1.74876082 1.74876082 3.02927807 1 [/CIF]
GeReSr2
P4mm
99
tetragonal
4mm
6,527.207673
false
[CIF] data_K2HfPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60031398 _cell_length_b 3.66146194 _cell_length_c 9.95511345 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.22081453 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HfPd _chemical_formula_sum 'K2 Hf1 Pd1' _cell_volume 130.87648504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27079334 1.83073097 6.58178559 1 K K1 1 -0.68178734 0.00000000 9.44313980 1 K K2 1 1.66911584 1.83073097 3.14405605 1 Pd Pd3 1 3.11075282 0.00000000 5.65130177 1 [/CIF]
HfK2Pd
Pm
6
monoclinic
m
4,607.036126
false
[CIF] data_BiOs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00017487 _cell_length_b 3.00017487 _cell_length_c 8.78339455 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiOs2Cl _chemical_formula_sum 'Bi1 Os2 Cl1' _cell_volume 79.05976693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.50008744 1.50008744 4.06274861 1 Cl Cl1 1 0.00000000 0.00000000 7.14997706 1 Os Os2 1 1.50008744 1.50008744 0.22746023 1 Os Os3 1 0.00000000 0.00000000 1.73490593 1 [/CIF]
BiClOs2
P4mm
99
tetragonal
4mm
13,125.005846
false
[CIF] data_Mg2ScRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04959527 _cell_length_b 4.32610017 _cell_length_c 5.57919550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ScRu _chemical_formula_sum 'Mg2 Sc1 Ru1' _cell_volume 73.60551511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52479764 2.16305009 1.51325100 1 Mg Mg1 1 1.52479764 2.16305009 4.06594450 1 Ru Ru2 1 0.00000000 0.00000000 2.78959775 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2RuSc
Pmmm
47
orthorhombic
mmm
4,390.982594
false
[CIF] data_GaFeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73958754 _cell_length_b 2.73958754 _cell_length_c 7.07899771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeRh2 _chemical_formula_sum 'Ga1 Fe1 Rh2' _cell_volume 53.13028389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 3.53949886 1 Rh Rh2 1 1.36979377 1.36979377 5.37593520 1 Rh Rh3 1 1.36979377 1.36979377 1.70306251 1 [/CIF]
FeGaRh2
P4/mmm
123
tetragonal
4/mmm
10,356.951536
false
[CIF] data_K2SiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29258080 _cell_length_b 9.29258080 _cell_length_c 9.29258080 _cell_angle_alpha 30.77402752 _cell_angle_beta 30.77402752 _cell_angle_gamma 30.77402752 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SiTe _chemical_formula_sum 'K2 Si1 Te1' _cell_volume 186.29105552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.02767977 1 K K1 1 -0.00000000 0.00000000 5.60896732 1 Si Si2 1 -0.00000000 -0.00000000 12.24326377 1 Te Te3 1 -0.00000000 -0.00000000 20.92563826 1 [/CIF]
K2SiTe
R3m
160
trigonal
3m
2,084.750462
false
[CIF] data_Sc2BIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89940687 _cell_length_b 2.89940687 _cell_length_c 7.56823558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BIr _chemical_formula_sum 'Sc2 B1 Ir1' _cell_volume 63.62282788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15001670 1 Ir Ir1 1 1.44970343 1.44970343 5.15890292 1 Sc Sc2 1 0.00000000 0.00000000 7.19225411 1 Sc Sc3 1 1.44970343 1.44970343 2.41941529 1 [/CIF]
BIrSc2
P4mm
99
tetragonal
4mm
7,645.655418
false
[CIF] data_ZnGe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90932425 _cell_length_b 2.90932425 _cell_length_c 8.99809476 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.98947679 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGe2As _chemical_formula_sum 'Zn1 Ge2 As1' _cell_volume 74.49998041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83110470 0.00000000 2.43494527 1 Ge Ge1 1 0.00000000 0.00000000 8.97432143 1 Ge Ge2 1 1.83110470 0.00000000 6.60065949 1 Zn Zn3 1 0.00000000 0.00000000 4.48531071 1 [/CIF]
AsGe2Zn
Cmm2
35
orthorhombic
mm2
6,365.362795
false
[CIF] data_BaCaLaZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92869660 _cell_length_b 5.92869660 _cell_length_c 5.92869660 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaLaZr _chemical_formula_sum 'Ba1 Ca1 La1 Zr1' _cell_volume 147.35425473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09611078 2.09611078 2.09611078 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 6.28833235 6.28833235 6.28833235 1 Zr Zr3 1 4.19222157 4.19222157 4.19222157 1 [/CIF]
BaCaLaZr
F-43m
216
cubic
-43m
4,592.516922
false
[CIF] data_MgHgRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64112079 _cell_length_b 4.64112079 _cell_length_c 4.64112079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgRhAu _chemical_formula_sum 'Mg1 Hg1 Rh1 Au1' _cell_volume 70.68928934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92265197 4.92265197 4.92265197 1 Hg Hg1 1 3.28176798 3.28176798 3.28176798 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.64088399 1.64088399 1.64088399 1 [/CIF]
AuHgMgRh
F-43m
216
cubic
-43m
12,327.132258
false
[CIF] data_Sr4GaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87398353 _cell_length_b 6.87398353 _cell_length_c 6.87398353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4GaNi _chemical_formula_sum 'Sr4 Ga1 Ni1' _cell_volume 229.67327566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.29096055 7.29096055 7.29096055 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.07734216 6.07734216 3.64393858 1 Sr Sr3 1 6.07734216 3.64393858 6.07734216 1 Sr Sr4 1 3.64393858 6.07734216 6.07734216 1 Sr Sr5 1 3.64393858 3.64393858 3.64393858 1 [/CIF]
GaNiSr4
F-43m
216
cubic
-43m
3,462.423648
false
[CIF] data_Nb2PdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11047229 _cell_length_b 3.11047229 _cell_length_c 7.42491984 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PdSe _chemical_formula_sum 'Nb2 Pd1 Se1' _cell_volume 71.83638061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55523615 1.55523615 7.25360823 1 Nb Nb1 1 0.00000000 0.00000000 1.92924707 1 Pd Pd2 1 1.55523615 1.55523615 3.61330895 1 Se Se3 1 0.00000000 0.00000000 5.76613528 1 [/CIF]
Nb2PdSe
P4mm
99
tetragonal
4mm
8,580.333168
false
[CIF] data_KW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70308523 _cell_length_b 6.70308523 _cell_length_c 6.70308523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KW _chemical_formula_sum 'K4 W4' _cell_volume 301.17867928 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.62865622 3.98019884 6.07442901 1 K K1 1 2.72288639 2.72288639 2.72288639 1 K K2 1 6.07442901 0.62865622 3.98019884 1 K K3 1 3.98019884 6.07442901 0.62865622 1 W W4 1 2.66323088 6.01477349 4.03985435 1 W W5 1 0.68831174 0.68831174 0.68831174 1 W W6 1 4.03985435 2.66323088 6.01477349 1 W W7 1 6.01477349 4.03985435 2.66323088 1 [/CIF]
K4W4
P2_13
198
cubic
23
4,916.652898
false
[CIF] data_NaCd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38708035 _cell_length_b 10.38708035 _cell_length_c 10.38708035 _cell_angle_alpha 16.34024472 _cell_angle_beta 16.34024472 _cell_angle_gamma 16.34024472 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCd2Os _chemical_formula_sum 'Na1 Cd2 Os1' _cell_volume 77.34101309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.46436718 1 Cd Cd1 1 -0.00000000 0.00000000 23.27445488 1 Na Na2 1 -0.00000000 -0.00000000 -0.00000000 1 Os Os3 1 -0.00000000 0.00000000 15.36941103 1 [/CIF]
Cd2NaOs
R-3m
166
trigonal
-3m
9,404.912629
false
[CIF] data_Zr2ZnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65054549 _cell_length_b 4.65054549 _cell_length_c 3.39657000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnRe _chemical_formula_sum 'Zr2 Zn1 Re1' _cell_volume 73.45956683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32527274 2.32527274 0.00000000 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.32527274 1.69828500 1 Zr Zr3 1 2.32527274 0.00000000 1.69828500 1 [/CIF]
ReZnZr2
P4/mmm
123
tetragonal
4/mmm
9,811.275847
false
[CIF] data_Hf2TaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16358789 _cell_length_b 5.16358789 _cell_length_c 3.04204109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.40997895 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaGa _chemical_formula_sum 'Hf2 Ta1 Ga1' _cell_volume 77.80485987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.54637547 2.06745808 1.52102054 1 Hf Hf2 1 1.54637547 -2.06745807 1.52102054 1 Ta Ta3 1 3.09275093 -0.00000000 0.00000000 1 [/CIF]
GaHf2Ta
Cmmm
65
orthorhombic
mmm
12,968.701784
false
[CIF] data_NaYAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95100829 _cell_length_b 4.95100829 _cell_length_c 3.74261920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYAl2 _chemical_formula_sum 'Na1 Y1 Al2' _cell_volume 91.74088977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.47550415 0.00000000 1.87130960 1 Al Al1 1 0.00000000 2.47550415 1.87130960 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.47550415 2.47550415 0.00000000 1 [/CIF]
Al2NaY
P4/mmm
123
tetragonal
4/mmm
3,002.152214
false
[CIF] data_HfTcMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76550483 _cell_length_b 3.76550483 _cell_length_c 4.78137933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTcMo2 _chemical_formula_sum 'Hf1 Tc1 Mo2' _cell_volume 67.79530482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88275242 1.88275242 0.00000000 1 Mo Mo1 1 1.88275242 0.00000000 2.39068967 1 Mo Mo2 1 0.00000000 1.88275242 2.39068967 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMo2Tc
P4/mmm
123
tetragonal
4/mmm
11,495.160125
false
[CIF] data_TaNbTlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71602447 _cell_length_b 4.71602447 _cell_length_c 4.71602447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbTlMo _chemical_formula_sum 'Ta1 Nb1 Tl1 Mo1' _cell_volume 74.16741637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66736644 1.66736644 1.66736644 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.00209932 5.00209932 5.00209932 1 Tl Tl3 1 3.33473288 3.33473288 3.33473288 1 [/CIF]
MoNbTaTl
F-43m
216
cubic
-43m
12,855.74619
false
[CIF] data_Hf2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97683585 _cell_length_b 5.97683585 _cell_length_c 7.70430641 _cell_angle_alpha 109.68813991 _cell_angle_beta 109.68813991 _cell_angle_gamma 32.45116310 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Tl _chemical_formula_sum 'Hf4 Tl2' _cell_volume 138.28742059 _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 Hf Hf0 1 0.15076823 0.00000000 3.94934422 1 Hf Hf1 1 4.97487086 -0.00000000 1.55332491 1 Hf Hf2 1 3.79941740 -0.00000000 5.66115627 1 Hf Hf3 1 8.62352003 0.00000000 3.26513696 1 Tl Tl4 1 6.99851504 0.00000000 6.26529223 1 Tl Tl5 1 1.77577323 0.00000000 0.94918894 1 [/CIF]
Hf4Tl2
C2/m
12
monoclinic
2/m
13,481.56884
false
[CIF] data_CrIn3Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16482396 _cell_length_b 5.16482396 _cell_length_c 5.16482396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrIn3Tc _chemical_formula_sum 'Cr1 In3 Tc1' _cell_volume 137.77377883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.58241198 2.58241198 2.58241198 1 In In2 1 2.58241198 0.00000000 2.58241198 1 In In3 1 2.58241198 2.58241198 0.00000000 1 In In4 1 0.00000000 2.58241198 2.58241198 1 [/CIF]
CrIn3Tc
Pm-3m
221
cubic
m-3m
5,970.355862
false
[CIF] data_Sc24Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67589345 _cell_length_b 9.67589345 _cell_length_c 9.67589345 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc24Sn5 _chemical_formula_sum 'Sc24 Sn5' _cell_volume 697.35086130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.00229545 -1.00229545 3.08445703 1 Sc Sc1 1 -1.00229545 1.00229545 3.08445703 1 Sc Sc2 1 1.00229545 1.00229545 8.08830235 1 Sc Sc3 1 4.58408424 4.58408424 2.50192266 1 Sc Sc4 1 1.00229545 8.08830235 1.00229545 1 Sc Sc5 1 4.58408424 2.50192266 4.58408424 1 Sc Sc6 1 -1.00229545 3.08445703 1.00229545 1 Sc Sc7 1 1.00229545 3.08445703 -1.00229545 1 Sc Sc8 1 3.08445703 -1.00229545 1.00229545 1 Sc Sc9 1 3.08445703 1.00229545 -1.00229545 1 Sc Sc10 1 2.50192266 4.58408424 4.58408424 1 Sc Sc11 1 8.08830235 1.00229545 1.00229545 1 Sc Sc12 1 -1.49623191 1.49623191 6.14895014 1 Sc Sc13 1 1.49623191 -1.49623191 6.14895014 1 Sc Sc14 1 4.09014778 4.09014778 -0.56257045 1 Sc Sc15 1 1.49623191 1.49623191 5.02380924 1 Sc Sc16 1 4.09014778 -0.56257045 4.09014778 1 Sc Sc17 1 1.49623191 5.02380924 1.49623191 1 Sc Sc18 1 1.49623191 6.14895014 -1.49623191 1 Sc Sc19 1 -1.49623191 6.14895014 1.49623191 1 Sc Sc20 1 6.14895014 1.49623191 -1.49623191 1 Sc Sc21 1 6.14895014 -1.49623191 1.49623191 1 Sc Sc22 1 5.02380924 1.49623191 1.49623191 1 Sc Sc23 1 -0.56257045 4.09014778 4.09014778 1 Sn Sn24 1 3.52893767 -3.52893767 3.52893767 1 Sn Sn25 1 -3.52893767 3.52893767 3.52893767 1 Sn Sn26 1 3.52893767 3.52893767 -3.52893767 1 Sn Sn27 1 2.05744202 2.05744202 2.05744202 1 Sn Sn28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc24Sn5
I-43m
217
cubic
-43m
3,982.554941
false
[CIF] data_MgGeBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50169067 _cell_length_b 6.50169067 _cell_length_c 6.50169067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGeBi4 _chemical_formula_sum 'Mg1 Ge1 Bi4' _cell_volume 194.34076658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.74431039 3.45046873 3.45046873 1 Bi Bi1 1 5.74431039 5.74431039 5.74431039 1 Bi Bi2 1 3.45046873 5.74431039 3.45046873 1 Bi Bi3 1 3.45046873 3.45046873 5.74431039 1 Ge Ge4 1 2.29869478 2.29869478 2.29869478 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi4GeMg
F-43m
216
cubic
-43m
7,970.851718
false
[CIF] data_SrSi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35377759 _cell_length_b 4.35377759 _cell_length_c 4.42001836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSi2Au _chemical_formula_sum 'Sr1 Si2 Au1' _cell_volume 83.78312454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17688879 2.17688879 0.00000000 1 Si Si1 1 2.17688879 0.00000000 2.21000918 1 Si Si2 1 0.00000000 2.17688879 2.21000918 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSi2Sr
P4/mmm
123
tetragonal
4/mmm
6,753.741971
false
[CIF] data_BaGe2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71781512 _cell_length_b 10.71781512 _cell_length_c 10.71781512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGe2S5 _chemical_formula_sum 'Ba4 Ge8 S20' _cell_volume 870.57017774 _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 Ba Ba0 1 5.68397981 1.89465994 5.68397981 1 Ba Ba1 1 1.89465994 5.68397981 5.68397981 1 Ba Ba2 1 5.68397981 5.68397981 1.89465994 1 Ba Ba3 1 1.89465994 1.89465994 1.89465994 1 Ge Ge4 1 8.84127059 6.31600891 8.84127059 1 Ge Ge5 1 12.63059046 10.10532879 10.10532879 1 Ge Ge6 1 10.10532879 10.10532879 12.63059046 1 Ge Ge7 1 12.63059046 12.63059046 12.63059046 1 Ge Ge8 1 6.31600891 6.31600891 6.31600891 1 Ge Ge9 1 8.84127059 8.84127059 6.31600891 1 Ge Ge10 1 6.31600891 8.84127059 8.84127059 1 Ge Ge11 1 10.10532879 12.63059046 10.10532879 1 S S12 1 7.57863975 4.94291889 7.57863975 1 S S13 1 10.21436061 7.57863975 7.57863975 1 S S14 1 7.57863975 7.57863975 10.21436061 1 S S15 1 8.84983965 8.84983965 13.88607960 1 S S16 1 13.88607960 13.88607960 13.88607960 1 S S17 1 13.88607960 8.84983965 8.84983965 1 S S18 1 14.00368048 11.36795963 11.36795963 1 S S19 1 11.36795963 11.36795962 14.00368048 1 S S20 1 11.36795963 8.73223877 11.36795963 1 S S21 1 10.09675972 5.06051978 10.09675972 1 S S22 1 8.84983965 13.88607960 8.84983965 1 S S23 1 7.57863975 7.57863975 4.94291889 1 S S24 1 4.94291889 7.57863975 7.57863975 1 S S25 1 7.57863975 10.21436061 7.57863975 1 S S26 1 5.06051978 10.09675972 10.09675972 1 S S27 1 5.06051978 5.06051978 5.06051978 1 S S28 1 10.09675972 10.09675972 5.06051978 1 S S29 1 11.36795963 14.00368048 11.36795963 1 S S30 1 8.73223877 11.36795963 11.36795963 1 S S31 1 11.36795963 11.36795963 8.73223877 1 [/CIF]
Ba4Ge8S20
Fd-3m
227
cubic
m-3m
3,379.421481
false
[CIF] data_PtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85254509 _cell_length_b 4.16437739 _cell_length_c 5.75903598 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.62234695 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtPb _chemical_formula_sum 'Pt2 Pb2' _cell_volume 87.55738627 _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 Pb Pb0 1 1.04296367 3.12328304 4.32535758 1 Pb Pb1 1 0.97055455 1.04109435 1.13215794 1 Pt Pt2 1 -0.87191868 1.04109435 3.67210290 1 Pt Pt3 1 2.88543691 3.12328304 1.78541261 1 [/CIF]
Pb2Pt2
P2_1/m
11
monoclinic
2/m
15,258.753747
false
[CIF] data_MgScSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15513387 _cell_length_b 5.15513387 _cell_length_c 5.15513387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScSb2 _chemical_formula_sum 'Mg1 Sc1 Sb2' _cell_volume 96.87346769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.82261506 1.82261506 1.82261506 1 Sb Sb2 1 5.46784518 5.46784518 5.46784518 1 Sc Sc3 1 3.64523012 3.64523012 3.64523012 1 [/CIF]
MgSb2Sc
Fm-3m
225
cubic
m-3m
5,361.477565
false
[CIF] data_AsP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95914155 _cell_length_b 3.95914155 _cell_length_c 3.94918468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsP2Rh _chemical_formula_sum 'As1 P2 Rh1' _cell_volume 61.90268718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 0.00000000 1.97957078 1.97459234 1 P P2 1 1.97957078 0.00000000 1.97459234 1 Rh Rh3 1 1.97957078 1.97957078 0.00000000 1 [/CIF]
AsP2Rh
P4/mmm
123
tetragonal
4/mmm
6,431.952286
false
[CIF] data_TaZn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70523257 _cell_length_b 3.70523257 _cell_length_c 4.20574667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Cr _chemical_formula_sum 'Ta1 Zn2 Cr1' _cell_volume 57.73963786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.85261629 1.85261629 0.00000000 1 Zn Zn2 1 1.85261629 0.00000000 2.10287333 1 Zn Zn3 1 0.00000000 1.85261629 2.10287333 1 [/CIF]
CrTaZn2
P4/mmm
123
tetragonal
4/mmm
10,459.793131
false
[CIF] data_LiAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97578524 _cell_length_b 3.97578524 _cell_length_c 4.16365674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Ge _chemical_formula_sum 'Li1 Al2 Ge1' _cell_volume 65.81437380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98789262 2.08182837 1 Al Al1 1 1.98789262 0.00000000 2.08182837 1 Ge Ge2 1 1.98789262 1.98789262 0.00000000 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GeLi
P4/mmm
123
tetragonal
4/mmm
3,369.467809
false
[CIF] data_Nb2FePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84120499 _cell_length_b 2.84120499 _cell_length_c 7.56557057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2FePt _chemical_formula_sum 'Nb2 Fe1 Pt1' _cell_volume 61.07265815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.42060249 1.42060249 1.69524365 1 Nb Nb2 1 1.42060249 1.42060249 5.87032692 1 Pt Pt3 1 0.00000000 0.00000000 3.78278529 1 [/CIF]
FeNb2Pt
P4/mmm
123
tetragonal
4/mmm
11,876.359914
false
[CIF] data_YbRh3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13619540 _cell_length_b 4.13619540 _cell_length_c 4.13619540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbRh3C _chemical_formula_sum 'Yb1 Rh3 C1' _cell_volume 70.76249576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.06809770 0.00000000 0.00000000 1 Rh Rh2 1 0.00000000 0.00000000 2.06809770 1 Rh Rh3 1 0.00000000 2.06809770 0.00000000 1 Yb Yb4 1 2.06809770 2.06809770 2.06809770 1 [/CIF]
CRh3Yb
Pm-3m
221
cubic
m-3m
11,587.253448
false
[CIF] data_Sc4TaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82593734 _cell_length_b 5.82593734 _cell_length_c 5.82593734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4TaCl _chemical_formula_sum 'Sc4 Ta1 Cl1' _cell_volume 139.82422800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 5.12304664 5.12304664 3.11607296 1 Sc Sc2 1 5.12304664 3.11607296 5.12304664 1 Sc Sc3 1 3.11607296 5.12304664 5.12304664 1 Sc Sc4 1 3.11607296 3.11607296 3.11607296 1 Ta Ta5 1 6.17933970 6.17933970 6.17933970 1 [/CIF]
ClSc4Ta
F-43m
216
cubic
-43m
4,705.524338
false
[CIF] data_Y3HgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37894954 _cell_length_b 5.37894954 _cell_length_c 5.37894954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3HgIr _chemical_formula_sum 'Y3 Hg1 Ir1' _cell_volume 155.62967501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 2.68947477 0.00000000 1 Y Y1 1 0.00000000 0.00000000 2.68947477 1 Y Y2 1 2.68947477 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 Hg Hg4 1 2.68947477 2.68947477 2.68947477 1 [/CIF]
HgIrY3
Pm-3m
221
cubic
m-3m
7,037.001655
false
[CIF] data_HfBePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35877152 _cell_length_b 3.35877152 _cell_length_c 5.69021209 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBePt2 _chemical_formula_sum 'Hf1 Be1 Pt2' _cell_volume 64.19325191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39300299 1 Hf Hf1 1 1.67938576 1.67938576 4.37701550 1 Pt Pt2 1 0.00000000 0.00000000 5.65136143 1 Pt Pt3 1 1.67938576 1.67938576 1.80415031 1 [/CIF]
BeHfPt2
P4mm
99
tetragonal
4mm
14,943.311975
false
[CIF] data_HfMgGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62326313 _cell_length_b 4.62326313 _cell_length_c 4.62326313 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgGaMo _chemical_formula_sum 'Hf1 Mg1 Ga1 Mo1' _cell_volume 69.87645067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26914071 3.26914071 3.26914071 1 Hf Hf1 1 1.63457035 1.63457035 1.63457036 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.90371107 4.90371107 4.90371107 1 [/CIF]
GaHfMgMo
F-43m
216
cubic
-43m
8,756.485315
false
[CIF] data_Be2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29000866 _cell_length_b 3.29000866 _cell_length_c 6.63762368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlHg _chemical_formula_sum 'Be2 Tl1 Hg1' _cell_volume 71.84668071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64500433 1.64500433 5.40905775 1 Be Be1 1 1.64500433 1.64500433 1.22856593 1 Hg Hg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.31881184 1 [/CIF]
Be2HgTl
P4/mmm
123
tetragonal
4/mmm
9,776.431413
false
[CIF] data_Y3SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44058142 _cell_length_b 16.73070855 _cell_length_c 16.73070855 _cell_angle_alpha 17.12453288 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3SiNi _chemical_formula_sum 'Y6 Si2 Ni2' _cell_volume 283.57725945 _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 1.72029071 -0.00000000 5.13769692 1 Ni Ni1 1 1.72029071 -0.00000000 25.99795846 1 Si Si2 1 0.00000000 -0.00000000 12.68549502 1 Si Si3 1 0.00000000 0.00000000 21.13229450 1 Y Y4 1 0.00000000 -0.00000000 9.86907394 1 Y Y5 1 0.00000000 0.00000000 23.91513111 1 Y Y6 1 0.00000000 -0.00000000 3.09675758 1 Y Y7 1 0.00000000 -0.00000000 30.33639096 1 Y Y8 1 1.72029071 -0.00000000 15.22464657 1 Y Y9 1 1.72029071 0.00000000 18.61275614 1 [/CIF]
Ni2Si2Y6
Amm2
38
orthorhombic
mm2
4,139.927625
false
[CIF] data_EuCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76431800 _cell_length_b 4.40918500 _cell_length_c 5.93129200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuCu _chemical_formula_sum 'Eu4 Cu4' _cell_volume 203.05371549 _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 Eu Eu0 1 5.28948822 1.10229625 2.19184371 1 Eu Eu1 1 1.40732922 1.10229625 0.77380229 1 Eu Eu2 1 2.47482978 3.30688875 3.73944829 1 Eu Eu3 1 6.35698878 3.30688875 5.15748971 1 Cu Cu4 1 4.11274372 1.10229625 5.31285991 1 Cu Cu5 1 0.23058472 1.10229625 3.58407809 1 Cu Cu6 1 3.65157428 3.30688875 0.61843209 1 Cu Cu7 1 7.53373328 3.30688875 2.34721391 1 [/CIF]
Cu4Eu4
Pnma
62
orthorhombic
mmm
7,049.617849
false
[CIF] data_Np3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55061400 _cell_length_b 4.55061400 _cell_length_c 4.55061400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np3Te _chemical_formula_sum 'Np3 Te1' _cell_volume 94.23451415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 2.27530700 2.27530700 0.00000000 1 Np Np1 1 2.27530700 0.00000000 2.27530700 1 Np Np2 1 0.00000000 2.27530700 2.27530700 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Np3Te
Pm-3m
221
cubic
m-3m
14,777.261535
false
[CIF] data_LiHfBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13671842 _cell_length_b 4.13671842 _cell_length_c 4.13671842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfBe2 _chemical_formula_sum 'Li1 Hf1 Be2' _cell_volume 50.05562451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.38765248 4.38765248 4.38765248 1 Be Be1 1 2.92510165 2.92510165 2.92510165 1 Hf Hf2 1 1.46255083 1.46255083 1.46255083 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HfLi
F-43m
216
cubic
-43m
6,749.40296
false
[CIF] data_Cd2PPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19833880 _cell_length_b 5.19833880 _cell_length_c 5.19833880 _cell_angle_alpha 133.58180667 _cell_angle_beta 133.58180667 _cell_angle_gamma 67.74192096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2PPt _chemical_formula_sum 'Cd2 P1 Pt1' _cell_volume 72.45563011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 4.31615400 1 Cd Cd1 1 0.00000000 2.04860207 2.15807700 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.04860207 0.00000000 2.15807700 1 [/CIF]
Cd2PPt
I-4m2
119
tetragonal
-42m
10,333.268209
false
[CIF] data_Zr7Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07949833 _cell_length_b 6.07949833 _cell_length_c 6.07949833 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Ni _chemical_formula_sum 'Zr7 Ni1' _cell_volume 172.97420400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 1.75500000 -1.75500000 1.75500000 1 Zr Zr2 1 -1.75500000 1.75500000 1.75500000 1 Zr Zr3 1 0.00000000 -0.00000000 3.51000000 1 Zr Zr4 1 1.75500000 1.75500000 -1.75500000 1 Zr Zr5 1 3.51000000 0.00000000 -0.00000000 1 Zr Zr6 1 0.00000000 3.51000000 -0.00000000 1 Zr Zr7 1 1.75500000 1.75500000 1.75500000 1 [/CIF]
NiZr7
Im-3m
229
cubic
m-3m
6,693.655861
false
[CIF] data_MgInBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46913367 _cell_length_b 4.49582965 _cell_length_c 7.38808933 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.66267490 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInBi2 _chemical_formula_sum 'Mg1 In1 Bi2' _cell_volume 115.18081071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.61266307 2.24791483 1.64175559 1 Bi Bi1 1 1.64210460 2.24791483 5.74322316 1 In In2 1 -0.10718300 0.00000000 3.69248938 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2InMg
P2/m
10
monoclinic
2/m
8,031.367444
false
[CIF] data_LiZn3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25182750 _cell_length_b 4.25182750 _cell_length_c 4.25182750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn3O _chemical_formula_sum 'Li1 Zn3 O1' _cell_volume 76.86469524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 2.12591375 0.00000000 2.12591375 1 Zn Zn1 1 2.12591375 2.12591375 0.00000000 1 Zn Zn2 1 0.00000000 2.12591375 2.12591375 1 O O3 1 2.12591375 2.12591375 2.12591375 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LiOZn3
Pm-3m
221
cubic
m-3m
4,732.882395
false
[CIF] data_NbCrNiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39335760 _cell_length_b 4.39335760 _cell_length_c 4.39335760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrNiAg _chemical_formula_sum 'Nb1 Cr1 Ni1 Ag1' _cell_volume 59.96180045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65985942 4.65985942 4.65985943 1 Cr Cr1 1 -0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 1.55328647 1.55328647 1.55328648 1 Ni Ni3 1 3.10657295 3.10657295 3.10657295 1 [/CIF]
AgCrNbNi
F-43m
216
cubic
-43m
8,625.462691
false
[CIF] data_HfBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33220044 _cell_length_b 4.33220044 _cell_length_c 4.33220044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeAu _chemical_formula_sum 'Hf1 Be1 Au1' _cell_volume 57.49242524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59499247 4.59499247 4.59499247 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 3.06332831 3.06332831 3.06332831 1 [/CIF]
AuBeHf
F-43m
216
cubic
-43m
11,104.512955
false
[CIF] data_NaMgGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82974995 _cell_length_b 4.82974995 _cell_length_c 4.82974995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgGaAu _chemical_formula_sum 'Na1 Mg1 Ga1 Au1' _cell_volume 79.66341904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70757447 1.70757447 1.70757447 1 Ga Ga1 1 5.12272341 5.12272341 5.12272341 1 Mg Mg2 1 3.41514894 3.41514894 3.41514894 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuGaMgNa
F-43m
216
cubic
-43m
6,544.826551
false
[CIF] data_CaO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67080844 _cell_length_b 3.67080844 _cell_length_c 3.67080844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaO _chemical_formula_sum 'Ca1 O1' _cell_volume 34.97600213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29782677 1.29782677 1.29782677 1 O O1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaO
F-43m
216
cubic
-43m
2,662.360127
false
[CIF] data_MnPd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67883366 _cell_length_b 4.67883366 _cell_length_c 4.67883366 _cell_angle_alpha 133.83778009 _cell_angle_beta 129.56206055 _cell_angle_gamma 70.75959234 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPd2Ru _chemical_formula_sum 'Mn1 Pd2 Ru1' _cell_volume 55.79828170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58711863 1 Pd Pd1 1 -0.00000000 1.99355203 3.76914105 1 Pd Pd2 1 0.00000000 0.00000000 1.93919110 1 Ru Ru3 1 -0.00000000 1.99355203 0.14895783 1 [/CIF]
MnPd2Ru
Imm2
44
orthorhombic
mm2
10,976.800175
false
[CIF] data_TiPd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86731175 _cell_length_b 3.68183424 _cell_length_c 5.70281124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPd2Ru _chemical_formula_sum 'Ti1 Pd2 Ru1' _cell_volume 60.20438766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.43365588 1.84091712 5.68349200 1 Pd Pd1 1 0.00000000 0.00000000 1.47371193 1 Ru Ru2 1 1.43365588 1.84091712 2.91506251 1 Ti Ti3 1 0.00000000 0.00000000 4.18476167 1 [/CIF]
Pd2RuTi
Pmm2
25
orthorhombic
mm2
9,978.422923
false
[CIF] data_ZrNbAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90823890 _cell_length_b 2.90823890 _cell_length_c 8.83548009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbAg2 _chemical_formula_sum 'Zr1 Nb1 Ag2' _cell_volume 74.72919625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.45411945 1.45411945 2.27335666 1 Ag Ag1 1 1.45411945 1.45411945 6.56212343 1 Nb Nb2 1 0.00000000 0.00000000 4.41774005 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2NbZr
P4/mmm
123
tetragonal
4/mmm
8,885.729664
false
[CIF] data_Ag2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95148392 _cell_length_b 4.95148392 _cell_length_c 3.50024017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2SnHg _chemical_formula_sum 'Ag2 Sn1 Hg1' _cell_volume 85.81606383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47574196 1.75012009 1 Ag Ag1 1 2.47574196 0.00000000 1.75012009 1 Hg Hg2 1 2.47574196 2.47574196 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2HgSn
P4/mmm
123
tetragonal
4/mmm
10,352.943314
false
[CIF] data_MnCd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96414709 _cell_length_b 4.72663798 _cell_length_c 5.46683792 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.34247263 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd2Au _chemical_formula_sum 'Mn1 Cd2 Au1' _cell_volume 75.57690613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03834310 0.00000000 2.69716194 1 Cd Cd1 1 0.16831945 2.36331899 4.05478363 1 Cd Cd2 1 1.90836676 2.36331899 1.33954024 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCd2Mn
P2/m
10
monoclinic
2/m
10,474.405571
false
[CIF] data_SrPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20018568 _cell_length_b 4.20018568 _cell_length_c 4.40255038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPdRh _chemical_formula_sum 'Sr1 Pd1 Rh1' _cell_volume 67.26233599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10009286 1.21248915 4.35444882 1 Rh Rh1 1 0.00000002 2.42497832 1.50974785 1 Sr Sr2 1 0.00000000 0.00000000 2.94090409 1 [/CIF]
PdRhSr
P3m1
156
trigonal
3m
7,330.84268
false
[CIF] data_Si3PC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05267973 _cell_length_b 4.05267973 _cell_length_c 4.05267973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3PC _chemical_formula_sum 'Si3 P1 C1' _cell_volume 66.56207508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 2.02633987 2.02633987 2.02633987 1 Si Si1 1 0.00000000 2.02633987 0.00000000 1 Si Si2 1 0.00000000 0.00000000 2.02633987 1 Si Si3 1 2.02633987 0.00000000 0.00000000 1 C C4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CPSi3
Pm-3m
221
cubic
m-3m
3,174.308914
false
[CIF] data_YGe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71932052 _cell_length_b 4.71932052 _cell_length_c 4.71932052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGe2B _chemical_formula_sum 'Y1 Ge2 B1' _cell_volume 74.32303291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 3.33706354 3.33706354 3.33706354 1 Ge Ge2 1 5.00559531 5.00559531 5.00559531 1 Y Y3 1 1.66853177 1.66853177 1.66853177 1 [/CIF]
BGe2Y
F-43m
216
cubic
-43m
5,473.765328
false
[CIF] data_La2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72800235 _cell_length_b 7.72800235 _cell_length_c 7.72800235 _cell_angle_alpha 32.96502001 _cell_angle_beta 32.96502001 _cell_angle_gamma 32.96502001 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AgBr _chemical_formula_sum 'La2 Ag1 Br1' _cell_volume 121.59773595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.95225728 1 Br Br1 1 -0.00000000 -0.00000000 -0.00000000 1 La La2 1 -0.00000000 0.00000000 5.45740444 1 La La3 1 -0.00000000 0.00000000 16.44711012 1 [/CIF]
AgBrLa2
R-3m
166
trigonal
-3m
6,358.004833
false
[CIF] data_CrAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10595455 _cell_length_b 7.03351199 _cell_length_c 2.97298898 _cell_angle_alpha 79.23086325 _cell_angle_beta 76.50074706 _cell_angle_gamma 24.26838969 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgPb _chemical_formula_sum 'Cr1 Ag1 Pb1' _cell_volume 59.25939269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.97665935 2.22069388 13.18721601 1 Cr Cr1 1 1.97665935 2.22069388 4.60883710 1 Pb Pb2 1 1.97665935 2.22069388 9.20412726 1 [/CIF]
AgCrPb
Fmm2
42
orthorhombic
mm2
10,285.704636
false
[CIF] data_SrRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26720163 _cell_length_b 3.26720163 _cell_length_c 7.35445392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRu2Br _chemical_formula_sum 'Sr1 Ru2 Br1' _cell_volume 78.50590166 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 1.63360082 1.63360082 1.45361495 1 Ru Ru2 1 1.63360082 1.63360082 5.90083897 1 Sr Sr3 1 0.00000000 0.00000000 3.67722696 1 [/CIF]
BrRu2Sr
P4/mmm
123
tetragonal
4/mmm
7,819.301355
false
[CIF] data_Mn3CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51525548 _cell_length_b 4.51525548 _cell_length_c 4.51525548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3CrBi _chemical_formula_sum 'Mn3 Cr1 Bi1' _cell_volume 92.05491581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 2.25762774 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 2.25762774 1 Mn Mn3 1 2.25762774 0.00000000 0.00000000 1 Bi Bi4 1 2.25762774 2.25762774 2.25762774 1 [/CIF]
BiCrMn3
Pm-3m
221
cubic
m-3m
7,680.654285
false
[CIF] data_ZnTcOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42676153 _cell_length_b 4.42676153 _cell_length_c 4.42676153 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcOsAu _chemical_formula_sum 'Zn1 Tc1 Os1 Au1' _cell_volume 61.33994539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69528965 4.69528965 4.69528965 1 Os Os1 1 3.13019310 3.13019310 3.13019310 1 Tc Tc2 1 1.56509655 1.56509655 1.56509655 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuOsTcZn
F-43m
216
cubic
-43m
14,929.238634
false
[CIF] data_VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69756672 _cell_length_b 6.69756672 _cell_length_c 4.38458664 _cell_angle_alpha 109.10660535 _cell_angle_beta 109.10660535 _cell_angle_gamma 21.78678930 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe _chemical_formula_sum 'V3 Fe3' _cell_volume 68.82406800 _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 Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 0.97435259 0.00000000 3.44485661 1 Fe Fe2 1 5.84611552 -0.00000000 2.06691396 1 V V3 1 3.41023405 0.00000000 2.75588528 1 V V4 1 8.28199699 -0.00000000 1.37794264 1 V V5 1 10.71787845 -0.00000000 0.68897132 1 [/CIF]
Fe3V3
Cm
8
monoclinic
m
7,729.410373
false
[CIF] data_CaBe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82188425 _cell_length_b 5.82188425 _cell_length_c 5.82188425 _cell_angle_alpha 38.04405908 _cell_angle_beta 38.04405908 _cell_angle_gamma 38.04405908 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBe2Ge _chemical_formula_sum 'Ca1 Be2 Ge1' _cell_volume 67.27732161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28045050 1 Be Be1 1 0.00000000 0.00000000 11.18503494 1 Ca Ca2 1 -0.00000000 0.00000000 7.96059470 1 Ge Ge3 1 0.00000000 0.00000000 4.72068521 1 [/CIF]
Be2CaGe
R3m
160
trigonal
3m
3,228.222594
false
[CIF] data_CrPdN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70878610 _cell_length_b 3.70878610 _cell_length_c 3.70878610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrPdN3 _chemical_formula_sum 'Cr1 Pd1 N3' _cell_volume 51.01470268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.85439305 1.85439305 1.85439305 1 N N2 1 0.00000000 1.85439305 0.00000000 1 N N3 1 0.00000000 0.00000000 1.85439305 1 N N4 1 1.85439305 0.00000000 0.00000000 1 [/CIF]
CrN3Pd
Pm-3m
221
cubic
m-3m
6,524.239543
false
[CIF] data_KRe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43170583 _cell_length_b 6.43170583 _cell_length_c 6.43170583 _cell_angle_alpha 150.70048960 _cell_angle_beta 124.59156428 _cell_angle_gamma 63.90913402 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRe2Te _chemical_formula_sum 'K1 Re2 Te1' _cell_volume 106.17093122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.17052466 1 Re Re1 1 1.62664024 -0.00000000 0.80302969 1 Re Re2 1 -0.00000000 -0.00000000 2.48101066 1 Te Te3 1 1.62664024 0.00000000 4.91672535 1 [/CIF]
KRe2Te
Imm2
44
orthorhombic
mm2
8,431.846882
false
[CIF] data_FeCoIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18005564 _cell_length_b 4.18005564 _cell_length_c 4.18005564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoIrRu _chemical_formula_sum 'Fe1 Co1 Ir1 Ru1' _cell_volume 51.64534591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95574569 2.95574569 2.95574569 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.43361854 4.43361854 4.43361854 1 Ru Ru3 1 1.47787285 1.47787285 1.47787285 1 [/CIF]
CoFeIrRu
F-43m
216
cubic
-43m
13,120.411647
false
[CIF] data_Li2CoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71291913 _cell_length_b 2.71291913 _cell_length_c 8.10264892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.98324042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CoSe _chemical_formula_sum 'Li2 Co1 Se1' _cell_volume 57.32958001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.63299235 0.00000000 1.95396659 1 Li Li2 1 1.63299235 0.00000000 6.14868233 1 Se Se3 1 0.00000000 0.00000000 4.05132446 1 [/CIF]
CoLi2Se
Cmmm
65
orthorhombic
mmm
4,396.136176
false
[CIF] data_As2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07198200 _cell_length_b 5.93904319 _cell_length_c 10.95230846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2Cl _chemical_formula_sum 'As8 Cl4' _cell_volume 329.91332281 _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 As As0 1 2.91763994 4.45428239 2.53160934 1 As As1 1 4.69033306 1.48476080 8.00776357 1 As As2 1 0.38164894 4.45428239 2.94454489 1 As As3 1 2.15434206 1.48476080 8.42069912 1 As As4 1 2.55738903 4.45428239 0.11155660 1 As As5 1 5.05058397 1.48476080 5.58771083 1 As As6 1 0.02139803 4.45428239 5.36459763 1 As As7 1 2.51459297 1.48476080 10.84075186 1 Cl Cl8 1 4.59764908 4.45428239 10.16953186 1 Cl Cl9 1 3.01032392 1.48476080 4.69337763 1 Cl Cl10 1 2.06165808 4.45428239 6.25893083 1 Cl Cl11 1 0.47433292 1.48476080 0.78277660 1 [/CIF]
As8Cl4
Pnma
62
orthorhombic
mmm
3,730.574763
false
[CIF] data_LaTiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95182202 _cell_length_b 4.95182202 _cell_length_c 4.95182202 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiTe _chemical_formula_sum 'La1 Ti1 Te1' _cell_volume 85.85786455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.25220040 5.25220040 5.25220040 1 Te Te1 1 1.75073346 1.75073346 1.75073347 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaTeTi
F-43m
216
cubic
-43m
6,080.1392
false
[CIF] data_Li2IrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04179837 _cell_length_b 4.24704642 _cell_length_c 5.41206726 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.31382470 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2IrPb _chemical_formula_sum 'Li2 Ir1 Pb1' _cell_volume 68.78692810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.14210662 2.12352321 1.11123614 1 Li Li2 1 0.93071734 2.12352321 4.21338222 1 Pb Pb3 1 -0.48448720 0.00000000 2.66230918 1 [/CIF]
IrLi2Pb
P2/m
10
monoclinic
2/m
9,977.173784
false
[CIF] data_LiMg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49853755 _cell_length_b 4.49853755 _cell_length_c 4.51094241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2Bi _chemical_formula_sum 'Li1 Mg2 Bi1' _cell_volume 91.28722020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24926877 2.24926877 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 0.00000000 2.24926877 2.25547121 1 Mg Mg3 1 2.24926877 0.00000000 2.25547121 1 [/CIF]
BiLiMg2
P4/mmm
123
tetragonal
4/mmm
4,811.897252
false
[CIF] data_La2SiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28807581 _cell_length_b 5.87064364 _cell_length_c 5.87064364 _cell_angle_alpha 43.64633893 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SiOs _chemical_formula_sum 'La2 Si1 Os1' _cell_volume 102.00277716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14403790 0.00000000 1.18925551 1 La La1 1 0.00000000 -0.00000000 4.26310463 1 Os Os2 1 2.14403790 -0.00000000 8.78216552 1 Si Si3 1 0.00000000 -0.00000000 7.56235674 1 [/CIF]
La2OsSi
Amm2
38
orthorhombic
mm2
8,076.641102
false
[CIF] data_TlZnGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77005373 _cell_length_b 4.77005373 _cell_length_c 4.77005373 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnGaCu _chemical_formula_sum 'Tl1 Zn1 Ga1 Cu1' _cell_volume 76.74583497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 3.37293734 3.37293734 3.37293734 1 Tl Tl2 1 5.05940601 5.05940601 5.05940601 1 Zn Zn3 1 1.68646867 1.68646867 1.68646867 1 [/CIF]
CuGaTlZn
F-43m
216
cubic
-43m
8,720.354395
false
[CIF] data_V3RhS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24222926 _cell_length_b 4.24222926 _cell_length_c 4.24222926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3RhS _chemical_formula_sum 'V3 Rh1 S1' _cell_volume 76.34531746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 2.12111463 2.12111463 2.12111463 1 V V2 1 0.00000000 2.12111463 0.00000000 1 V V3 1 0.00000000 0.00000000 2.12111463 1 V V4 1 2.12111463 0.00000000 0.00000000 1 [/CIF]
RhSV3
Pm-3m
221
cubic
m-3m
6,259.648353
false
[CIF] data_La5In4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81913979 _cell_length_b 7.81913979 _cell_length_c 7.81913979 _cell_angle_alpha 95.72136238 _cell_angle_beta 95.72136238 _cell_angle_gamma 143.18920670 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5In4 _chemical_formula_sum 'La5 In4' _cell_volume 271.78536042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 6.94451572 -0.00000000 1 In In1 1 -0.00000000 3.54776334 -0.00000000 1 In In2 1 3.54776334 -0.00000000 0.00000000 1 In In3 1 6.94451572 -0.00000000 -0.00000000 1 La La4 1 0.00000000 0.00000000 0.00000000 1 La La5 1 -1.82137665 1.82137665 2.46880276 1 La La6 1 1.82137665 -1.82137665 2.46880276 1 La La7 1 3.42476288 3.42476288 -0.00000000 1 La La8 1 1.82137665 1.82137665 2.46880276 1 [/CIF]
In4La5
I4/mmm
139
tetragonal
4/mmm
7,049.419044
false
[CIF] data_HfAg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24928184 _cell_length_b 5.24928184 _cell_length_c 3.40551609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.31002598 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAg2Bi _chemical_formula_sum 'Hf1 Ag2 Bi1' _cell_volume 87.42287580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.48075549 2.16704941 1.70275805 1 Ag Ag1 1 1.48075549 -2.16704941 1.70275805 1 Bi Bi2 1 2.96151098 -0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BiHf
Cmmm
65
orthorhombic
mmm
11,457.509805
false
[CIF] data_ZrHgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84182192 _cell_length_b 5.84182192 _cell_length_c 5.84182192 _cell_angle_alpha 146.81703306 _cell_angle_beta 139.77471970 _cell_angle_gamma 53.09871069 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgSb _chemical_formula_sum 'Zr1 Hg1 Sb1' _cell_volume 70.04476338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 0.00000000 10.38614375 1 Sb Sb1 1 0.00000000 0.00000000 7.01903413 1 Zr Zr2 1 -0.00000000 0.00000000 3.49802156 1 [/CIF]
HgSbZr
Imm2
44
orthorhombic
mm2
9,804.527145
false
[CIF] data_CrNi22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04317783 _cell_length_b 9.04317783 _cell_length_c 9.04317783 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNi22 _chemical_formula_sum 'Cr2 Ni44' _cell_volume 522.93560934 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 3.19724619 3.19724619 3.19724619 1 Ni Ni2 1 5.56375461 2.52705025 7.22523013 1 Ni Ni3 1 7.22523013 2.52705025 5.56375461 1 Ni Ni4 1 7.22523013 10.26193449 7.22523013 1 Ni Ni5 1 5.56375461 10.26193449 5.56375461 1 Ni Ni6 1 2.52705025 5.56375461 7.22523013 1 Ni Ni7 1 2.52705025 7.22523013 5.56375461 1 Ni Ni8 1 10.26193449 5.56375461 5.56375461 1 Ni Ni9 1 10.26193449 7.22523013 7.22523013 1 Ni Ni10 1 5.56375461 5.56375461 10.26193449 1 Ni Ni11 1 7.22523013 7.22523013 10.26193449 1 Ni Ni12 1 5.56375461 7.22523013 2.52705025 1 Ni Ni13 1 7.22523013 5.56375461 2.52705025 1 Ni Ni14 1 8.76100080 7.06468831 4.02798394 1 Ni Ni15 1 4.02798394 7.06468831 8.76100080 1 Ni Ni16 1 8.76100080 5.72429643 8.76100080 1 Ni Ni17 1 4.02798394 5.72429643 4.02798394 1 Ni Ni18 1 8.76100080 4.02798394 7.06468831 1 Ni Ni19 1 4.02798394 8.76100080 7.06468831 1 Ni Ni20 1 4.02798394 4.02798394 5.72429643 1 Ni Ni21 1 8.76100080 8.76100080 5.72429643 1 Ni Ni22 1 5.72429643 4.02798394 4.02798394 1 Ni Ni23 1 5.72429643 8.76100080 8.76100080 1 Ni Ni24 1 7.06468831 8.76100080 4.02798394 1 Ni Ni25 1 7.06468831 4.02798394 8.76100080 1 Ni Ni26 1 4.64322609 6.39449237 6.39449237 1 Ni Ni27 1 8.14575865 6.39449237 6.39449237 1 Ni Ni28 1 6.39449237 6.39449237 8.14575865 1 Ni Ni29 1 6.39449237 6.39449237 4.64322609 1 Ni Ni30 1 6.39449237 4.64322609 6.39449237 1 Ni Ni31 1 6.39449237 8.14575865 6.39449237 1 Ni Ni32 1 9.59173856 9.59173856 11.34300483 1 Ni Ni33 1 9.59173856 9.59173855 7.84047228 1 Ni Ni34 1 7.84047228 9.59173856 9.59173855 1 Ni Ni35 1 11.34300483 9.59173856 9.59173856 1 Ni Ni36 1 9.59173856 11.34300483 9.59173856 1 Ni Ni37 1 9.59173856 7.84047228 9.59173856 1 Ni Ni38 1 4.79586928 4.79586928 1.59862309 1 Ni Ni39 1 1.59862309 4.79586928 4.79586928 1 Ni Ni40 1 1.59862309 1.59862309 1.59862309 1 Ni Ni41 1 4.79586928 1.59862309 4.79586928 1 Ni Ni42 1 4.79586928 4.79586928 7.99311546 1 Ni Ni43 1 7.99311546 4.79586928 4.79586928 1 Ni Ni44 1 7.99311546 7.99311546 7.99311546 1 Ni Ni45 1 4.79586928 7.99311546 4.79586928 1 [/CIF]
Cr2Ni44
Fd-3m
227
cubic
m-3m
8,530.765761
true