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_LaTa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20258183 _cell_length_b 10.20258183 _cell_length_c 10.20258183 _cell_angle_alpha 16.90178213 _cell_angle_beta 16.90178213 _cell_angle_gamma 16.90178213 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTa2Ni _chemical_formula_sum 'La1 Ta2 Ni1' _cell_volume 78.30400743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 15.08191051 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 -0.00000000 0.00000000 22.13390450 1 Ta Ta3 1 0.00000000 0.00000000 8.02991653 1 [/CIF]
LaNiTa2
R-3m
166
trigonal
-3m
11,864.816634
false
[CIF] data_NaLaNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07824489 _cell_length_b 5.07824489 _cell_length_c 5.07824489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaNi4 _chemical_formula_sum 'Na1 La1 Ni4' _cell_volume 92.60318484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38629210 5.38629210 5.38629210 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.49447057 4.49447057 2.68725223 1 Ni Ni3 1 4.49447057 2.68725223 4.49447057 1 Ni Ni4 1 2.68725223 4.49447057 4.49447057 1 Ni Ni5 1 2.68725223 2.68725223 2.68725223 1 [/CIF]
LaNaNi4
F-43m
216
cubic
-43m
7,112.974627
false
[CIF] data_YSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39589278 _cell_length_b 3.39589278 _cell_length_c 7.81696237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi _chemical_formula_sum 'Y2 Si2' _cell_volume 90.14589617 _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 Si Si0 1 1.69794639 0.00000000 0.49273605 1 Si Si1 1 0.00000000 1.69794639 7.32422632 1 Y Y2 1 1.69794639 0.00000000 5.35623616 1 Y Y3 1 0.00000000 1.69794639 2.46072621 1 [/CIF]
Si2Y2
P4/nmm
129
tetragonal
4/mmm
4,310.09542
false
[CIF] data_LiInAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57175754 _cell_length_b 5.57175754 _cell_length_c 5.57175754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInAu4 _chemical_formula_sum 'Li1 In1 Au4' _cell_volume 122.30990550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92684685 4.92684685 2.95280823 1 Au Au1 1 4.92684685 2.95280823 4.92684685 1 Au Au2 1 2.95280823 4.92684685 4.92684685 1 Au Au3 1 2.95280823 2.95280823 2.95280823 1 In In4 1 5.90974131 5.90974131 5.90974131 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4InLi
F-43m
216
cubic
-43m
12,349.517405
false
[CIF] data_AgSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88445744 _cell_length_b 4.35206859 _cell_length_c 5.95334674 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.82861719 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnW2 _chemical_formula_sum 'Ag1 Sn1 W2' _cell_volume 72.56830715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.53815417 0.00000000 2.83718337 1 Sn Sn1 1 0.23020573 2.17603430 4.33668029 1 W W2 1 0.10384944 0.00000000 0.12272430 1 W W3 1 0.95411666 2.17603430 1.37459569 1 [/CIF]
AgSnW2
Pm
6
monoclinic
m
13,598.0705
false
[CIF] data_In2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59299085 _cell_length_b 4.59299085 _cell_length_c 4.06795741 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Au _chemical_formula_sum 'In2 Au1' _cell_volume 74.31871458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 In In1 1 2.29649542 1.32588225 1.09185807 1 In In2 1 0.00000000 2.65176450 2.97609934 1 [/CIF]
AuIn2
P-3m1
164
trigonal
-3m
9,531.86807
false
[CIF] data_Ba2TiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09540846 _cell_length_b 6.09540846 _cell_length_c 6.09540846 _cell_angle_alpha 131.50890994 _cell_angle_beta 131.50890994 _cell_angle_gamma 71.00576494 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiGe _chemical_formula_sum 'Ba2 Ti1 Ge1' _cell_volume 124.35928483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50306704 -0.00000000 2.48109427 1 Ba Ba1 1 0.00000000 2.50306704 2.48109427 1 Ge Ge2 1 0.00000000 -0.00000000 4.96218854 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2GeTi
I4/mmm
139
tetragonal
4/mmm
5,276.488032
false
[CIF] data_KSrZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87631700 _cell_length_b 6.87631700 _cell_length_c 6.87631700 _cell_angle_alpha 141.12307958 _cell_angle_beta 141.12307958 _cell_angle_gamma 56.15196605 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrZr2 _chemical_formula_sum 'K1 Sr1 Zr2' _cell_volume 127.08882565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 0.00000000 6.06714107 1 Zr Zr2 1 0.00000000 2.28839843 3.03357053 1 Zr Zr3 1 2.28839843 0.00000000 3.03357054 1 [/CIF]
KSrZr2
I4/mmm
139
tetragonal
4/mmm
4,039.55829
false
[CIF] data_VGa3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76450659 _cell_length_b 4.76450659 _cell_length_c 4.76450659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGa3Pt _chemical_formula_sum 'V1 Ga3 Pt1' _cell_volume 108.15679165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38225330 0.00000000 2.38225330 1 Ga Ga1 1 2.38225330 2.38225330 0.00000000 1 Ga Ga2 1 0.00000000 2.38225330 2.38225330 1 Pt Pt3 1 2.38225330 2.38225330 2.38225330 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga3PtV
Pm-3m
221
cubic
m-3m
6,988.634173
false
[CIF] data_Y2MgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92928628 _cell_length_b 4.92928628 _cell_length_c 4.48859683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgPb _chemical_formula_sum 'Y2 Mg1 Pb1' _cell_volume 109.06331187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.46464314 2.46464314 0.00000000 1 Y Y2 1 2.46464314 0.00000000 2.24429841 1 Y Y3 1 0.00000000 2.46464314 2.24429841 1 [/CIF]
MgPbY2
P4/mmm
123
tetragonal
4/mmm
6,232.034947
false
[CIF] data_Cd2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24331487 _cell_length_b 7.24331487 _cell_length_c 7.24331487 _cell_angle_alpha 155.08597736 _cell_angle_beta 142.38995888 _cell_angle_gamma 45.64326385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BiOs _chemical_formula_sum 'Cd2 Bi1 Os1' _cell_volume 97.42260880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33487273 2.34297154 1 Cd Cd1 1 0.00000000 0.00000000 13.19591230 1 Cd Cd2 1 1.56243404 0.00000000 4.40734531 1 Os Os3 1 0.00000000 0.00000000 6.75891029 1 [/CIF]
BiCd2Os
Imm2
44
orthorhombic
mm2
10,636.444577
false
[CIF] data_TbYbNp2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49244413 _cell_length_b 5.49244413 _cell_length_c 5.49244413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbYbNp2 _chemical_formula_sum 'Tb1 Yb1 Np2' _cell_volume 117.16069700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82561674 5.82561674 5.82561674 1 Np Np1 1 1.94187225 1.94187225 1.94187225 1 Tb Tb2 1 0.00000000 0.00000000 0.00000000 1 Yb Yb3 1 3.88374449 3.88374449 3.88374449 1 [/CIF]
Np2TbYb
Fm-3m
225
cubic
m-3m
11,423.286408
false
[CIF] data_BaPaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95056064 _cell_length_b 4.95056064 _cell_length_c 4.95056064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPaNi2 _chemical_formula_sum 'Ba1 Pa1 Ni2' _cell_volume 85.79226944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 5.25086250 5.25086250 5.25086250 1 Ni Ni2 1 1.75028750 1.75028750 1.75028750 1 Pa Pa3 1 3.50057500 3.50057500 3.50057500 1 [/CIF]
BaNi2Pa
Fm-3m
225
cubic
m-3m
9,401.853168
false
[CIF] data_TlOsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90896730 _cell_length_b 3.88234577 _cell_length_c 6.07936479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOsPt2 _chemical_formula_sum 'Tl1 Os1 Pt2' _cell_volume 68.65801689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78093722 1 Pt Pt1 1 1.45448365 1.94117289 5.97698598 1 Pt Pt2 1 0.00000000 0.00000000 1.42173958 1 Tl Tl3 1 1.45448365 1.94117289 3.01874920 1 [/CIF]
OsPt2Tl
Pmm2
25
orthorhombic
mm2
18,980.449283
false
[CIF] data_SnPtW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11198580 _cell_length_b 5.11198580 _cell_length_c 4.53398905 _cell_angle_alpha 102.11557767 _cell_angle_beta 102.11557767 _cell_angle_gamma 36.64296268 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPtW2 _chemical_formula_sum 'Sn1 Pt1 W2' _cell_volume 68.96444592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.35163293 -0.00000000 2.21089308 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 7.05667494 -0.00000000 1.15381128 1 W W3 1 1.64659091 -0.00000000 3.26797487 1 [/CIF]
PtSnW2
C2/m
12
monoclinic
2/m
16,408.660794
false
[CIF] data_YMgZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74985286 _cell_length_b 4.74985286 _cell_length_c 4.74985286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgZnFe _chemical_formula_sum 'Y1 Mg1 Zn1 Fe1' _cell_volume 75.77491753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67932659 1.67932659 1.67932659 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.03797976 5.03797976 5.03797976 1 Zn Zn3 1 3.35865317 3.35865317 3.35865317 1 [/CIF]
FeMgYZn
F-43m
216
cubic
-43m
5,137.450494
false
[CIF] data_La2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55722165 _cell_length_b 7.55722165 _cell_length_c 7.55722165 _cell_angle_alpha 151.65264717 _cell_angle_beta 151.65264717 _cell_angle_gamma 40.52077127 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Br _chemical_formula_sum 'La2 Br1' _cell_volume 97.10721493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -0.00000000 -0.00000000 9.19900705 1 La La2 1 0.00000000 -0.00000000 4.98028421 1 [/CIF]
BrLa2
I4/mmm
139
tetragonal
4/mmm
6,116.946439
false
[CIF] data_CaTaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22811931 _cell_length_b 4.25302943 _cell_length_c 6.93955664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaTl2 _chemical_formula_sum 'Ca1 Ta1 Tl2' _cell_volume 95.27516091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 3.46977832 1 Tl Tl2 1 1.61405966 2.12651471 5.06072366 1 Tl Tl3 1 1.61405966 2.12651471 1.87883298 1 [/CIF]
CaTaTl2
Pmmm
47
orthorhombic
mmm
10,976.646642
false
[CIF] data_ZnAgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71334668 _cell_length_b 4.23355452 _cell_length_c 5.36484266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgOs2 _chemical_formula_sum 'Zn1 Ag1 Os2' _cell_volume 61.62649003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68242133 1 Os Os1 1 1.35667334 2.11677726 4.16876295 1 Os Os2 1 1.35667334 2.11677726 1.19607971 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgOs2Zn
Pmmm
47
orthorhombic
mmm
14,919.786883
false
[CIF] data_TiZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06200851 _cell_length_b 4.06200851 _cell_length_c 4.06200851 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnNi _chemical_formula_sum 'Ti1 Zn1 Ni1' _cell_volume 47.39226745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87227376 2.87227376 2.87227376 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.30841064 4.30841064 4.30841064 1 [/CIF]
NiTiZn
F-43m
216
cubic
-43m
6,024.47966
false
[CIF] data_LaCd2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51137475 _cell_length_b 3.51137475 _cell_length_c 7.60763768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCd2Tc _chemical_formula_sum 'La1 Cd2 Tc1' _cell_volume 93.80029073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75568738 1.75568738 7.37516493 1 Cd Cd1 1 0.00000000 0.00000000 1.53341242 1 La La2 1 1.75568738 1.75568738 4.16315054 1 Tc Tc3 1 0.00000000 0.00000000 5.94736631 1 [/CIF]
Cd2LaTc
P4mm
99
tetragonal
4mm
8,189.966967
false
[CIF] data_NbTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07205478 _cell_length_b 9.07205478 _cell_length_c 9.07205478 _cell_angle_alpha 19.68601019 _cell_angle_beta 19.68601019 _cell_angle_gamma 19.68601019 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTePt2 _chemical_formula_sum 'Nb1 Te1 Pt2' _cell_volume 74.09873570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.78873441 1 Pt Pt1 1 0.00000000 0.00000000 26.61579674 1 Pt Pt2 1 0.00000000 0.00000000 19.98079763 1 Te Te3 1 0.00000000 0.00000000 13.31632119 1 [/CIF]
NbPt2Te
R3m
160
trigonal
3m
13,685.100765
false
[CIF] data_HfFeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44750186 _cell_length_b 4.44750186 _cell_length_c 3.26238945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeSe2 _chemical_formula_sum 'Hf1 Fe1 Se2' _cell_volume 64.53095323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.22375093 2.22375093 0.00000000 1 Se Se2 1 2.22375093 0.00000000 1.63119473 1 Se Se3 1 0.00000000 2.22375093 1.63119473 1 [/CIF]
FeHfSe2
P4/mmm
123
tetragonal
4/mmm
10,093.682368
false
[CIF] data_KCaZrMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29556319 _cell_length_b 5.29556319 _cell_length_c 5.29556319 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaZrMn _chemical_formula_sum 'K1 Ca1 Zr1 Mn1' _cell_volume 105.00777723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 3.74452864 3.74452864 3.74452864 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.61679296 5.61679296 5.61679296 1 Zr Zr3 1 1.87226432 1.87226432 1.87226432 1 [/CIF]
CaKMnZr
F-43m
216
cubic
-43m
3,563.384874
false
[CIF] data_Cu2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86717589 _cell_length_b 4.86717589 _cell_length_c 4.86717589 _cell_angle_alpha 125.74025968 _cell_angle_beta 125.74025968 _cell_angle_gamma 80.31546145 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AsPb _chemical_formula_sum 'Cu2 As1 Pb1' _cell_volume 73.29692950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.21947573 -0.00000000 1.85992313 1 Cu Cu2 1 -0.00000000 2.21947573 1.85992313 1 Pb Pb3 1 0.00000000 -0.00000000 3.71984625 1 [/CIF]
AsCu2Pb
I4/mmm
139
tetragonal
4/mmm
9,270.718078
false
[CIF] data_Al2InSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86465757 _cell_length_b 5.72700353 _cell_length_c 4.21624424 _cell_angle_alpha 70.42373746 _cell_angle_beta 66.93797160 _cell_angle_gamma 42.63829094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InSe _chemical_formula_sum 'Al2 In1 Se1' _cell_volume 88.00634406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84438715 1.55613120 2.48535868 1 Al Al1 1 0.00000000 1.55613120 2.48535868 1 In In2 1 2.84438715 3.11226240 4.97071737 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2InSe
Fmmm
69
orthorhombic
mmm
4,674.808785
false
[CIF] data_TiCu2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24720039 _cell_length_b 4.24720039 _cell_length_c 4.24720039 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCu2Ru _chemical_formula_sum 'Ti1 Cu2 Ru1' _cell_volume 54.17429399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50161210 1.50161210 1.50161210 1 Cu Cu1 1 3.00322420 3.00322420 3.00322420 1 Ru Ru2 1 4.50483630 4.50483630 4.50483630 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2RuTi
F-43m
216
cubic
-43m
8,460.78286
false
[CIF] data_AlGa2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50722001 _cell_length_b 4.50722001 _cell_length_c 4.50722001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Cu _chemical_formula_sum 'Al1 Ga2 Cu1' _cell_volume 64.74575118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.78062875 4.78062875 4.78062875 1 Ga Ga2 1 3.18708583 3.18708583 3.18708583 1 Ga Ga3 1 1.59354292 1.59354292 1.59354292 1 [/CIF]
AlCuGa2
F-43m
216
cubic
-43m
5,898.148344
false
[CIF] data_NaSrTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03400491 _cell_length_b 5.03400491 _cell_length_c 5.03400491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrTcNi _chemical_formula_sum 'Na1 Sr1 Tc1 Ni1' _cell_volume 90.20402303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 5.33936852 5.33936852 5.33936852 1 Sr Sr2 1 3.55957901 3.55957901 3.55957901 1 Tc Tc3 1 1.77978951 1.77978951 1.77978950 1 [/CIF]
NaNiSrTc
F-43m
216
cubic
-43m
4,937.386613
false
[CIF] data_NbFePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84670098 _cell_length_b 4.84670098 _cell_length_c 4.84670098 _cell_angle_alpha 132.71268933 _cell_angle_beta 132.71268933 _cell_angle_gamma 69.10571404 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFePt2 _chemical_formula_sum 'Nb1 Fe1 Pt2' _cell_volume 60.32642083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 3.99175898 1 Pt Pt2 1 0.00000000 1.94375547 1.99587949 1 Pt Pt3 1 1.94375547 0.00000000 1.99587949 1 [/CIF]
FeNbPt2
I4/mmm
139
tetragonal
4/mmm
14,834.241314
false
[CIF] data_TiNbNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35030372 _cell_length_b 4.35030372 _cell_length_c 4.35030372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbNiOs _chemical_formula_sum 'Ti1 Nb1 Ni1 Os1' _cell_volume 58.21618444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.61419389 4.61419389 4.61419389 1 Ni Ni1 1 3.07612926 3.07612926 3.07612926 1 Os Os2 1 1.53806463 1.53806463 1.53806463 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbNiOsTi
F-43m
216
cubic
-43m
11,115.581236
false
[CIF] data_CrCuPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57021857 _cell_length_b 4.57021857 _cell_length_c 4.57021857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuPd3 _chemical_formula_sum 'Cr1 Cu1 Pd3' _cell_volume 95.45768809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.28510928 2.28510928 2.28510928 1 Pd Pd2 1 2.28510928 0.00000000 2.28510928 1 Pd Pd3 1 2.28510928 2.28510928 0.00000000 1 Pd Pd4 1 0.00000000 2.28510928 2.28510928 1 [/CIF]
CrCuPd3
Pm-3m
221
cubic
m-3m
7,563.622037
false
[CIF] data_NaLiAlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09323549 _cell_length_b 5.09323549 _cell_length_c 5.09323549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiAlBi _chemical_formula_sum 'Na1 Li1 Al1 Bi1' _cell_volume 93.42568071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40219203 5.40219203 5.40219203 1 Bi Bi1 1 1.80073068 1.80073068 1.80073068 1 Li Li2 1 0.00000000 -0.00000000 0.00000000 1 Na Na3 1 3.60146135 3.60146135 3.60146135 1 [/CIF]
AlBiLiNa
F-43m
216
cubic
-43m
4,725.951426
false
[CIF] data_TcAg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90669190 _cell_length_b 2.90669190 _cell_length_c 8.23103829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAg2Cl _chemical_formula_sum 'Tc1 Ag2 Cl1' _cell_volume 69.54287207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45334595 1.45334595 6.14928730 1 Ag Ag1 1 1.45334595 1.45334595 2.08175099 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 4.11551915 1 [/CIF]
Ag2ClTc
P4/mmm
123
tetragonal
4/mmm
8,359.55438
false
[CIF] data_Cs2Cr4Cu(HO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74572000 _cell_length_b 7.85218009 _cell_length_c 7.96617285 _cell_angle_alpha 93.26895009 _cell_angle_beta 117.35409967 _cell_angle_gamma 98.99704793 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Cr4Cu(HO4)4 _chemical_formula_sum 'Cs2 Cr4 Cu1 H4 O16' _cell_volume 420.42645807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36399140 2.32014783 1.83206565 1 Cs Cs1 1 -1.50658740 4.39595717 5.16658835 1 Cr Cr2 1 2.24215401 1.91230987 5.28671325 1 Cr Cr3 1 0.61524999 4.80379513 1.71194075 1 Cr Cr4 1 -0.02490091 0.82238639 3.28119995 1 Cr Cr5 1 2.88230491 5.89371861 3.71745405 1 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1 H H7 1 -2.38998582 1.24945181 6.99808011 1 H H8 1 0.62917254 5.66719811 6.92568603 1 H H9 1 5.24738982 5.46665319 0.00057389 1 H H10 1 2.22823146 1.04890689 0.07296797 1 O O11 1 5.08746547 6.39088242 0.37791332 1 O O12 1 1.54359384 3.77667094 0.80784063 1 O O13 1 -0.36173266 0.91934040 1.63867884 1 O O14 1 3.21913666 5.79676460 5.35997516 1 O O15 1 3.71761433 2.53568892 5.05736035 1 O O16 1 0.53840569 6.25032457 0.93797361 1 O O17 1 1.35472412 5.02922577 3.33690924 1 O O18 1 3.95462053 -0.33292561 3.22399295 1 O O19 1 -1.09721653 7.04903061 3.77466105 1 O O20 1 -0.86021033 4.18041608 1.94129365 1 O O21 1 1.31381016 2.93943406 6.19081337 1 O O22 1 1.50267988 1.68687923 3.66174476 1 O O23 1 2.31899831 0.46578043 6.06068039 1 O O24 1 -2.23006147 0.32522258 6.62074068 1 O O25 1 -1.22673210 1.53793527 4.09122416 1 O O26 1 4.08413610 5.17816973 2.90742984 1 [/CIF]
Cr4Cs2CuH4O16
P-1
2
triclinic
-1
3,149.309841
false
[CIF] data_MnSiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93009124 _cell_length_b 3.93009124 _cell_length_c 3.93009124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSiTc _chemical_formula_sum 'Mn1 Si1 Tc1' _cell_volume 42.92328013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.16849126 4.16849126 4.16849126 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.38949709 1.38949709 1.38949709 1 [/CIF]
MnSiTc
F-43m
216
cubic
-43m
7,038.172479
false
[CIF] data_AsOs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02082235 _cell_length_b 3.02082235 _cell_length_c 6.74535498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsOs2Au _chemical_formula_sum 'As1 Os2 Au1' _cell_volume 61.55384426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 0.00000000 0.00000000 3.37267749 1 Os Os2 1 1.51041118 1.51041118 5.31340907 1 Os Os3 1 1.51041118 1.51041118 1.43194591 1 [/CIF]
AsAuOs2
P4/mmm
123
tetragonal
4/mmm
17,598.407259
false
[CIF] data_LiCrCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48231002 _cell_length_b 4.48231002 _cell_length_c 4.48231002 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrCoBi _chemical_formula_sum 'Li1 Cr1 Co1 Bi1' _cell_volume 63.67818494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16947181 3.16947181 3.16947181 1 Co Co1 1 1.58473590 1.58473590 1.58473591 1 Cr Cr2 1 4.75420772 4.75420772 4.75420772 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoCrLi
F-43m
216
cubic
-43m
8,523.301167
false
[CIF] data_TaB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88026790 _cell_length_b 2.88026790 _cell_length_c 5.99845393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.21618017 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB2Pt _chemical_formula_sum 'Ta1 B2 Pt1' _cell_volume 47.53320004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70887801 0.00000000 1.54957856 1 B B1 1 1.70887801 0.00000000 4.44887537 1 Pt Pt2 1 0.00000000 0.00000000 2.99922696 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2PtTa
Cmmm
65
orthorhombic
mmm
13,891.759912
false
[CIF] data_Te2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19773977 _cell_length_b 6.19773977 _cell_length_c 6.19773977 _cell_angle_alpha 145.35275536 _cell_angle_beta 145.35275536 _cell_angle_gamma 49.80914884 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2As _chemical_formula_sum 'Te2 As1' _cell_volume 76.58253360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 -0.00000000 0.00000000 7.29680019 1 Te Te2 1 -0.00000000 0.00000000 3.94602863 1 [/CIF]
AsTe2
I4/mmm
139
tetragonal
4/mmm
7,158.026613
false
[CIF] data_SrMg2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55968709 _cell_length_b 3.55968709 _cell_length_c 8.36542680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.92494004 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg2Ag _chemical_formula_sum 'Sr1 Mg2 Ag1' _cell_volume 105.98762446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.18271340 1 Mg Mg1 1 2.49668019 0.00000000 5.72391705 1 Mg Mg2 1 2.49668019 0.00000000 2.64150975 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMg2Sr
Cmmm
65
orthorhombic
mmm
3,824.35779
false
[CIF] data_SrCaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47947893 _cell_length_b 5.47947893 _cell_length_c 5.47947893 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaV2 _chemical_formula_sum 'Sr1 Ca1 V2' _cell_volume 116.33296213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.87457671 3.87457671 3.87457671 1 V V2 1 1.93728836 1.93728836 1.93728836 1 V V3 1 5.81186507 5.81186507 5.81186507 1 [/CIF]
CaSrV2
Fm-3m
225
cubic
m-3m
3,277.043862
false
[CIF] data_TiGaAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70208998 _cell_length_b 4.70208998 _cell_length_c 4.70208998 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaAgHg _chemical_formula_sum 'Ti1 Ga1 Ag1 Hg1' _cell_volume 73.51192725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98731956 4.98731956 4.98731956 1 Ga Ga1 1 3.32487971 3.32487971 3.32487971 1 Hg Hg2 1 1.66243986 1.66243986 1.66243986 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGaHgTi
F-43m
216
cubic
-43m
9,623.876108
false
[CIF] data_BaYNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91656685 _cell_length_b 4.91656685 _cell_length_c 4.91656685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYNiRu _chemical_formula_sum 'Ba1 Y1 Ni1 Ru1' _cell_volume 84.03705954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47653776 3.47653776 3.47653776 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 5.21480664 5.21480664 5.21480664 1 Y Y3 1 1.73826888 1.73826888 1.73826888 1 [/CIF]
BaNiRuY
F-43m
216
cubic
-43m
7,627.133269
false
[CIF] data_Na2SrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96831789 _cell_length_b 2.96831789 _cell_length_c 12.36749414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.00323591 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SrW _chemical_formula_sum 'Na2 Sr1 W1' _cell_volume 103.03010697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.72364273 0.00000000 8.88870528 1 Na Na1 1 1.72364273 0.00000000 3.47878886 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 6.18374707 1 [/CIF]
Na2SrW
Cmmm
65
orthorhombic
mmm
5,116.18177
false
[CIF] data_SrBe2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27466515 _cell_length_b 3.27466515 _cell_length_c 6.86639934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Ga _chemical_formula_sum 'Sr1 Be2 Ga1' _cell_volume 73.63136528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63733257 1.63733257 5.73388523 1 Be Be1 1 1.63733257 1.63733257 1.13251411 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.43319967 1 [/CIF]
Be2GaSr
P4/mmm
123
tetragonal
4/mmm
3,954.908106
false
[CIF] data_Ba4LiMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47400987 _cell_length_b 7.47400987 _cell_length_c 7.47400987 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4LiMn _chemical_formula_sum 'Ba4 Li1 Mn1' _cell_volume 295.22015427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97581647 3.97581647 6.59402965 1 Ba Ba1 1 3.97581647 6.59402965 3.97581647 1 Ba Ba2 1 6.59402965 3.97581647 3.97581647 1 Ba Ba3 1 6.59402965 6.59402965 6.59402965 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Mn Mn5 1 2.64246153 2.64246153 2.64246153 1 [/CIF]
Ba4LiMn
F-43m
216
cubic
-43m
3,437.773304
false
[CIF] data_KCa2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63368589 _cell_length_b 12.63368589 _cell_length_c 12.63368589 _cell_angle_alpha 15.36712756 _cell_angle_beta 15.36712756 _cell_angle_gamma 15.36712756 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2W _chemical_formula_sum 'K1 Ca2 W1' _cell_volume 123.37229364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.66220642 1 Ca Ca1 1 0.00000000 0.00000000 28.78444266 1 K K2 1 -0.00000000 0.00000000 -0.00000000 1 W W3 1 -0.00000000 -0.00000000 18.72332454 1 [/CIF]
Ca2KW
R-3m
166
trigonal
-3m
4,079.521511
false
[CIF] data_LiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19701525 _cell_length_b 5.19701525 _cell_length_c 5.38955285 _cell_angle_alpha 111.05640161 _cell_angle_beta 111.05640161 _cell_angle_gamma 30.39452522 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb _chemical_formula_sum 'Li2 Nb2' _cell_volume 68.35476720 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 4.39904659 -0.00000000 4.80475379 1 Li Li1 1 3.62492775 -0.00000000 0.19734276 1 Nb Nb2 1 7.70134858 -0.00000000 2.74321142 1 Nb Nb3 1 0.32262576 -0.00000000 2.25888513 1 [/CIF]
Li2Nb2
C2/m
12
monoclinic
2/m
4,851.175184
false
[CIF] data_LiCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53542411 _cell_length_b 4.53542411 _cell_length_c 4.79807431 _cell_angle_alpha 98.16202151 _cell_angle_beta 98.16202151 _cell_angle_gamma 34.72131789 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoPt2 _chemical_formula_sum 'Li1 Co1 Pt2' _cell_volume 55.59080960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.97196039 -0.00000000 2.37234782 1 Li Li1 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt2 1 1.59371421 -0.00000000 3.54827352 1 Pt Pt3 1 6.35020657 -0.00000000 1.19642212 1 [/CIF]
CoLiPt2
C2/m
12
monoclinic
2/m
13,622.321501
false
[CIF] data_NaBeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99846901 _cell_length_b 4.99846901 _cell_length_c 4.99846901 _cell_angle_alpha 141.82428569 _cell_angle_beta 125.00041312 _cell_angle_gamma 68.91814782 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeMo2 _chemical_formula_sum 'Na1 Be1 Mo2' _cell_volume 62.19443306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.24949563 1 Mo Mo1 1 1.63458747 -0.00000000 0.02581688 1 Mo Mo2 1 0.00000000 -0.00000000 1.89111938 1 Na Na3 1 -0.00000000 2.30802015 0.07634901 1 [/CIF]
BeMo2Na
Imm2
44
orthorhombic
mm2
5,978.527815
false
[CIF] data_SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20280102 _cell_length_b 4.20280102 _cell_length_c 4.84231933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg _chemical_formula_sum 'Si2 Ag2' _cell_volume 74.07330382 _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 2.10140051 1.21324415 3.63173950 1 Ag Ag1 1 -0.00000000 2.42648830 1.21057983 1 Si Si2 1 0.00000000 0.00000000 2.42115966 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Si2
P6_3/mmc
194
hexagonal
6/mmm
6,095.486996
false
[CIF] data_Sr2AlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57565723 _cell_length_b 3.57565723 _cell_length_c 9.04803061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlPd _chemical_formula_sum 'Sr2 Al1 Pd1' _cell_volume 115.68200858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20673364 1 Pd Pd1 1 1.78782862 1.78782862 6.11611546 1 Sr Sr2 1 0.00000000 0.00000000 8.38380509 1 Sr Sr3 1 1.78782862 1.78782862 2.91342224 1 [/CIF]
AlPdSr2
P4mm
99
tetragonal
4mm
4,430.346073
false
[CIF] data_Mg5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51044784 _cell_length_b 5.51044784 _cell_length_c 5.06898988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Pd _chemical_formula_sum 'Mg5 Pd1' _cell_volume 133.29867972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37761196 2.38609391 2.53449494 1 Mg Mg1 1 2.75522392 1.59072927 0.00000000 1 Mg Mg2 1 -1.37761196 2.38609391 2.53449494 1 Mg Mg3 1 2.75522392 0.00000000 2.53449494 1 Mg Mg4 1 -0.00000000 3.18145854 0.00000000 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg5Pd
P6/mmm
191
hexagonal
6/mmm
2,839.574842
false
[CIF] data_MgSi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62182353 _cell_length_b 4.83344225 _cell_length_c 5.00933105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2P _chemical_formula_sum 'Mg1 Si2 P1' _cell_volume 63.48041027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.31091177 0.00000000 2.50466553 1 Si Si2 1 1.31091177 2.41672113 1.26503487 1 Si Si3 1 1.31091177 2.41672113 3.74429618 1 [/CIF]
MgPSi2
Pmmm
47
orthorhombic
mmm
2,915.335699
false
[CIF] data_Ca2InTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97983220 _cell_length_b 3.97983220 _cell_length_c 7.54185028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2InTe _chemical_formula_sum 'Ca2 In1 Te1' _cell_volume 119.45585183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98991610 1.98991610 5.62131992 1 Ca Ca1 1 1.98991610 1.98991610 1.92053036 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.77092514 1 [/CIF]
Ca2InTe
P4/mmm
123
tetragonal
4/mmm
4,484.055998
false
[CIF] data_YRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02750206 _cell_length_b 4.59346541 _cell_length_c 4.82783220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRh3 _chemical_formula_sum 'Y1 Rh3' _cell_volume 67.13933954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.29673271 4.65682169 1 Rh Rh1 1 1.51375103 2.29673271 2.36669382 1 Rh Rh2 1 1.51375103 0.00000000 4.13831483 1 Y Y3 1 0.00000000 0.00000000 1.71238887 1 [/CIF]
Rh3Y
Pmm2
25
orthorhombic
mm2
9,834.285688
false
[CIF] data_TaBeBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62618788 _cell_length_b 4.62618788 _cell_length_c 4.62618788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeBiRh _chemical_formula_sum 'Ta1 Be1 Bi1 Rh1' _cell_volume 70.00914942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 4.90681323 4.90681323 4.90681323 1 Rh Rh2 1 1.63560441 1.63560441 1.63560441 1 Ta Ta3 1 3.27120882 3.27120882 3.27120882 1 [/CIF]
BeBiRhTa
F-43m
216
cubic
-43m
11,903.227395
false
[CIF] data_K2CaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86025613 _cell_length_b 4.86025613 _cell_length_c 7.60564328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaMo _chemical_formula_sum 'K2 Ca1 Mo1' _cell_volume 179.66118740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.43012807 2.43012807 2.13537638 1 K K2 1 2.43012807 2.43012807 5.47026690 1 Mo Mo3 1 0.00000000 0.00000000 3.80282164 1 [/CIF]
CaK2Mo
P4/mmm
123
tetragonal
4/mmm
1,980.087786
false
[CIF] data_La3InAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77515356 _cell_length_b 5.77515356 _cell_length_c 5.77515356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3InAu _chemical_formula_sum 'La3 In1 Au1' _cell_volume 192.61522375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 2.88757678 2.88757678 2.88757678 1 La La2 1 2.88757678 0.00000000 2.88757678 1 La La3 1 2.88757678 2.88757678 0.00000000 1 La La4 1 0.00000000 2.88757678 2.88757678 1 [/CIF]
AuInLa3
Pm-3m
221
cubic
m-3m
6,280.419129
false
[CIF] data_BaVInMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04023208 _cell_length_b 5.04023208 _cell_length_c 5.04023208 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVInMo _chemical_formula_sum 'Ba1 V1 In1 Mo1' _cell_volume 90.53918981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34597342 5.34597342 5.34597342 1 In In1 1 3.56398228 3.56398228 3.56398228 1 Mo Mo2 1 1.78199114 1.78199114 1.78199114 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInMoV
F-43m
216
cubic
-43m
7,318.734617
false
[CIF] data_MgTaTlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18167183 _cell_length_b 5.18167183 _cell_length_c 5.18167183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaTlPb _chemical_formula_sum 'Mg1 Ta1 Tl1 Pb1' _cell_volume 98.37725850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.66399529 3.66399529 3.66399529 1 Ta Ta2 1 1.83199765 1.83199764 1.83199765 1 Tl Tl3 1 5.49599294 5.49599294 5.49599294 1 [/CIF]
MgPbTaTl
F-43m
216
cubic
-43m
10,411.761724
false
[CIF] data_InRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16521583 _cell_length_b 3.16521583 _cell_length_c 4.12594174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRh _chemical_formula_sum 'In1 Rh1' _cell_volume 35.79813334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.82743822 2.06297087 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRh
P-6m2
187
hexagonal
-6m2
10,099.369599
false
[CIF] data_ZrAsRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17775174 _cell_length_b 5.17775174 _cell_length_c 5.17775174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAsRu4 _chemical_formula_sum 'Zr1 As1 Ru4' _cell_volume 98.15415152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.58037115 4.58037115 2.74207559 1 Ru Ru2 1 4.58037115 2.74207559 4.58037115 1 Ru Ru3 1 2.74207559 4.58037115 4.58037115 1 Ru Ru4 1 2.74207559 2.74207559 2.74207559 1 Zr Zr5 1 5.49183506 5.49183506 5.49183506 1 [/CIF]
AsRu4Zr
F-43m
216
cubic
-43m
9,650.269283
false
[CIF] data_LaMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57228692 _cell_length_b 5.57228692 _cell_length_c 5.57228692 _cell_angle_alpha 147.11246825 _cell_angle_beta 125.79602894 _cell_angle_gamma 64.87215253 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMo2Os _chemical_formula_sum 'La1 Mo2 Os1' _cell_volume 75.32839619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 -0.00000000 7.07221620 1 Mo Mo1 1 1.57737041 0.00000000 0.23093238 1 Mo Mo2 1 -0.00000000 0.00000000 2.31596041 1 Os Os3 1 1.57737041 0.00000000 4.48976069 1 [/CIF]
LaMo2Os
Imm2
44
orthorhombic
mm2
11,486.146096
false
[CIF] data_ReBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18744958 _cell_length_b 5.18744958 _cell_length_c 3.50225109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBiTe2 _chemical_formula_sum 'Re1 Bi1 Te2' _cell_volume 94.24429216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59372479 2.59372479 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.59372479 1.75112555 1 Te Te3 1 2.59372479 0.00000000 1.75112555 1 [/CIF]
BiReTe2
P4/mmm
123
tetragonal
4/mmm
11,459.621828
false
[CIF] data_MnZnAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46744546 _cell_length_b 4.46744546 _cell_length_c 4.46744546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnAgMo _chemical_formula_sum 'Mn1 Zn1 Ag1 Mo1' _cell_volume 63.04676104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57948049 1.57948049 1.57948049 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.15896098 3.15896098 3.15896098 1 Zn Zn3 1 4.73844147 4.73844147 4.73844147 1 [/CIF]
AgMnMoZn
F-43m
216
cubic
-43m
8,537.433078
false
[CIF] data_Sc2TcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22919354 _cell_length_b 4.30471254 _cell_length_c 4.85550267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TcOs _chemical_formula_sum 'Sc2 Tc1 Os1' _cell_volume 67.49512838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15235627 2.42775133 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.61459677 0.00000000 2.42775133 1 Tc Tc3 1 1.61459677 2.15235627 0.00000000 1 [/CIF]
OsSc2Tc
Pmmm
47
orthorhombic
mmm
9,325.473809
false
[CIF] data_SrRu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91745194 _cell_length_b 4.91745194 _cell_length_c 2.91843412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRu2Rh _chemical_formula_sum 'Sr1 Ru2 Rh1' _cell_volume 70.57162899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45872597 2.45872597 0.00000000 1 Ru Ru1 1 2.45872597 0.00000000 1.45921706 1 Ru Ru2 1 0.00000000 2.45872597 1.45921706 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhRu2Sr
P4/mmm
123
tetragonal
4/mmm
9,239.355987
false
[CIF] data_LiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99712474 _cell_length_b 4.26284254 _cell_length_c 5.99580808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCd _chemical_formula_sum 'Li2 Cd2' _cell_volume 76.60406793 _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 Cd Cd0 1 0.00000000 0.00000000 3.85645459 1 Cd Cd1 1 1.49856237 2.13142127 2.13935349 1 Li Li2 1 0.00000000 0.00000000 0.78471301 1 Li Li3 1 1.49856237 2.13142127 5.21109507 1 [/CIF]
Cd2Li2
Pmmn
59
orthorhombic
mmm
5,174.363817
false
[CIF] data_BeSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35326330 _cell_length_b 4.35326330 _cell_length_c 4.35326330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSnIr2 _chemical_formula_sum 'Be1 Sn1 Ir2' _cell_volume 58.33508149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 -0.00000000 -0.00000000 0.00000000 1 Ir Ir1 1 1.53911100 1.53911100 1.53911100 1 Ir Ir2 1 4.61733300 4.61733300 4.61733300 1 Sn Sn3 1 3.07822200 3.07822200 3.07822200 1 [/CIF]
BeIr2Sn
Fm-3m
225
cubic
m-3m
14,578.79764
false
[CIF] data_K2HgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67238346 _cell_length_b 6.67238346 _cell_length_c 6.23057943 _cell_angle_alpha 106.88976967 _cell_angle_beta 106.88976967 _cell_angle_gamma 27.38140849 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgRu _chemical_formula_sum 'K2 Hg1 Ru1' _cell_volume 121.73754499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.84093567 0.00000000 1.45544094 1 K K1 1 0.19981224 0.00000000 0.31148092 1 K K2 1 1.59353197 0.00000000 4.09188912 1 Ru Ru3 1 5.01946240 -0.00000000 3.05943332 1 [/CIF]
HgK2Ru
Cm
8
monoclinic
m
5,181.365569
false
[CIF] data_CoBMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70712128 _cell_length_b 2.70712128 _cell_length_c 6.53528068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBMo2 _chemical_formula_sum 'Co1 B1 Mo2' _cell_volume 47.89384122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 0.00000000 3.26764034 1 Mo Mo2 1 1.35356064 1.35356064 5.11052616 1 Mo Mo3 1 1.35356064 1.35356064 1.42475452 1 [/CIF]
BCoMo2
P4/mmm
123
tetragonal
4/mmm
9,072.223214
false
[CIF] data_InSi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51199354 _cell_length_b 4.51199354 _cell_length_c 6.26922739 _cell_angle_alpha 108.65875984 _cell_angle_beta 108.65875984 _cell_angle_gamma 38.66847929 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSi2Os _chemical_formula_sum 'In1 Si2 Os1' _cell_volume 75.02110182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79686864 -0.00000000 2.90033857 1 Os Os1 1 0.05003471 -0.00000000 5.33769423 1 Si Si2 1 6.17017181 0.00000000 5.23184961 1 Si Si3 1 5.95658976 -0.00000000 1.27482983 1 [/CIF]
InOsSi2
Cm
8
monoclinic
m
7,995.327268
false
[CIF] data_NaCa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02126103 _cell_length_b 5.02126103 _cell_length_c 4.26876144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2As _chemical_formula_sum 'Na1 Ca2 As1' _cell_volume 107.62854826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51063052 2.51063052 0.00000000 1 Ca Ca1 1 2.51063052 0.00000000 2.13438072 1 Ca Ca2 1 0.00000000 2.51063052 2.13438072 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCa2Na
P4/mmm
123
tetragonal
4/mmm
2,747.299187
false
[CIF] data_BaSrMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29583614 _cell_length_b 3.29583614 _cell_length_c 9.49878342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrMn2 _chemical_formula_sum 'Ba1 Sr1 Mn2' _cell_volume 103.18087554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64791807 1.64791807 7.87755367 1 Mn Mn1 1 0.00000000 0.00000000 1.00495447 1 Mn Mn2 1 1.64791807 1.64791807 1.44227846 1 Sr Sr3 1 0.00000000 0.00000000 3.92338852 1 [/CIF]
BaMn2Sr
P4mm
99
tetragonal
4mm
5,388.46776
false
[CIF] data_MgFeRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54502990 _cell_length_b 4.54502990 _cell_length_c 4.54502990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeRePb _chemical_formula_sum 'Mg1 Fe1 Re1 Pb1' _cell_volume 66.38886361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60691073 1.60691073 1.60691073 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.21382146 3.21382146 3.21382146 1 Re Re3 1 4.82073219 4.82073219 4.82073219 1 [/CIF]
FeMgPbRe
F-43m
216
cubic
-43m
11,844.756123
false
[CIF] data_GaAs2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51179560 _cell_length_b 5.51179560 _cell_length_c 4.86421591 _cell_angle_alpha 105.02477342 _cell_angle_beta 105.02477342 _cell_angle_gamma 34.65876499 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs2P _chemical_formula_sum 'Ga1 As2 P1' _cell_volume 80.87937081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.42321295 0.00000000 0.28912496 1 As As1 1 1.52235729 0.00000000 3.64251530 1 Ga Ga2 1 4.22460798 -0.00000000 2.40286772 1 P P3 1 7.63322235 0.00000000 0.68762402 1 [/CIF]
As2GaP
Cm
8
monoclinic
m
5,143.850533
false
[CIF] data_NaBeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00926955 _cell_length_b 6.00926955 _cell_length_c 6.00926955 _cell_angle_alpha 144.50005966 _cell_angle_beta 144.50005966 _cell_angle_gamma 51.08017906 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeTe _chemical_formula_sum 'Na1 Be1 Te1' _cell_volume 72.79137968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.67567899 1 Na Na1 1 -0.00000000 0.00000000 3.55618212 1 Te Te2 1 -0.00000000 0.00000000 6.61227248 1 [/CIF]
BeNaTe
I4mm
107
tetragonal
4mm
3,640.888198
false
[CIF] data_Hf4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14016794 _cell_length_b 8.14016794 _cell_length_c 8.14016794 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4B _chemical_formula_sum 'Hf16 B4' _cell_volume 415.21994217 _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 B B0 1 1.25402621 1.25402621 1.25402621 1 B B1 1 -3.44570194 3.44570194 3.44570194 1 B B2 1 3.44570194 -3.44570194 3.44570194 1 B B3 1 3.44570194 3.44570194 -3.44570194 1 Hf Hf4 1 2.51870162 2.51870162 2.51870162 1 Hf Hf5 1 -2.18102653 2.18102653 2.18102653 1 Hf Hf6 1 2.18102653 -2.18102653 2.18102653 1 Hf Hf7 1 2.18102653 2.18102653 -2.18102653 1 Hf Hf8 1 -0.00000000 0.00000000 6.77543349 1 Hf Hf9 1 0.00000000 -0.00000000 2.62402281 1 Hf Hf10 1 -0.00000000 6.77543349 0.00000000 1 Hf Hf11 1 0.00000000 2.62402281 -0.00000000 1 Hf Hf12 1 6.77543349 -0.00000000 0.00000000 1 Hf Hf13 1 2.62402281 0.00000000 -0.00000000 1 Hf Hf14 1 4.69972815 -0.00000000 2.34986408 1 Hf Hf15 1 -0.00000000 4.69972815 2.34986408 1 Hf Hf16 1 -0.00000000 2.34986408 4.69972815 1 Hf Hf17 1 4.69972815 2.34986408 -0.00000000 1 Hf Hf18 1 2.34986408 4.69972815 -0.00000000 1 Hf Hf19 1 2.34986408 -0.00000000 4.69972815 1 [/CIF]
B4Hf16
I-43m
217
cubic
-43m
11,593.957203
false
[CIF] data_LaZrVRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77946268 _cell_length_b 4.77946268 _cell_length_c 4.77946268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrVRe _chemical_formula_sum 'La1 Zr1 V1 Re1' _cell_volume 77.20087559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37959047 3.37959047 3.37959047 1 Re Re1 1 1.68979524 1.68979524 1.68979524 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.06938571 5.06938571 5.06938571 1 [/CIF]
LaReVZr
F-43m
216
cubic
-43m
10,050.835799
false
[CIF] data_LiTaAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11742185 _cell_length_b 4.11742185 _cell_length_c 4.11742185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaAl _chemical_formula_sum 'Li1 Ta1 Al1' _cell_volume 49.35840262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36718537 4.36718537 4.36718537 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.45572846 1.45572846 1.45572846 1 [/CIF]
AlLiTa
F-43m
216
cubic
-43m
7,228.773732
false
[CIF] data_Be2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15975280 _cell_length_b 3.15975280 _cell_length_c 4.68775060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PW _chemical_formula_sum 'Be2 P1 W1' _cell_volume 46.80267899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57987640 1.57987640 3.50239665 1 Be Be1 1 1.57987640 1.57987640 1.18535395 1 P P2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 2.34387530 1 [/CIF]
Be2PW
P4/mmm
123
tetragonal
4/mmm
8,261.205034
false
[CIF] data_Na2VOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10016113 _cell_length_b 4.09629993 _cell_length_c 5.37135489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VOs _chemical_formula_sum 'Na2 V1 Os1' _cell_volume 68.21185534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.55008057 2.04814996 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.04814996 2.68567745 1 V V3 1 1.55008057 0.00000000 2.68567745 1 [/CIF]
Na2OsV
Pmmm
47
orthorhombic
mmm
6,990.361356
false
[CIF] data_MgSnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04980117 _cell_length_b 5.04980117 _cell_length_c 3.56780330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSnSe2 _chemical_formula_sum 'Mg1 Sn1 Se2' _cell_volume 90.98073890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 2.52490058 1.78390165 1 Se Se2 1 2.52490058 0.00000000 1.78390165 1 Sn Sn3 1 2.52490058 2.52490058 0.00000000 1 [/CIF]
MgSe2Sn
P4/mmm
123
tetragonal
4/mmm
5,492.528774
false
[CIF] data_Re3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77533966 _cell_length_b 4.77533966 _cell_length_c 4.78031150 _cell_angle_alpha 99.52704931 _cell_angle_beta 99.52704931 _cell_angle_gamma 33.58076259 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3Os _chemical_formula_sum 'Re3 Os1' _cell_volume 59.38660215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15853872 0.00000000 2.35416542 1 Re Re1 1 1.65052828 0.00000000 3.51201159 1 Re Re2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 6.66654915 -0.00000000 1.19631926 1 [/CIF]
OsRe3
C2/m
12
monoclinic
2/m
20,939.004684
false
[CIF] data_YPbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48274361 _cell_length_b 6.48274361 _cell_length_c 6.23282295 _cell_angle_alpha 114.44640584 _cell_angle_beta 114.44640584 _cell_angle_gamma 32.60128819 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPbCl2 _chemical_formula_sum 'Y1 Pb1 Cl2' _cell_volume 127.33790104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.78686656 -0.00000000 0.25606403 1 Cl Cl1 1 1.52622858 0.00000000 4.01750423 1 Pb Pb2 1 4.47878798 -0.00000000 2.11524684 1 Y Y3 1 7.84342207 -0.00000000 2.04670676 1 [/CIF]
Cl2PbY
Cm
8
monoclinic
m
4,785.98681
false
[CIF] data_Hf4VPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58029441 _cell_length_b 5.58029441 _cell_length_c 5.58029441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4VPd _chemical_formula_sum 'Hf4 V1 Pd1' _cell_volume 122.87296551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95394536 4.93778268 4.93778268 1 Hf Hf1 1 4.93778268 4.93778268 2.95394536 1 Hf Hf2 1 4.93778268 2.95394536 4.93778268 1 Hf Hf3 1 2.95394536 2.95394536 2.95394536 1 Pd Pd4 1 5.91879603 5.91879603 5.91879603 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf4PdV
F-43m
216
cubic
-43m
11,775.278511
false
[CIF] data_TiNiMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40801471 _cell_length_b 4.40801471 _cell_length_c 4.40801471 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNiMoAu _chemical_formula_sum 'Ti1 Ni1 Mo1 Au1' _cell_volume 60.56393802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55846855 1.55846855 1.55846855 1 Mo Mo1 1 4.67540564 4.67540564 4.67540564 1 Ni Ni2 1 3.11693709 3.11693709 3.11693709 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMoNiTi
F-43m
216
cubic
-43m
10,953.114021
false
[CIF] data_Gd2CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09926661 _cell_length_b 5.09926661 _cell_length_c 5.09926661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2CoSb _chemical_formula_sum 'Gd2 Co1 Sb1' _cell_volume 93.75796234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 5.40858900 5.40858900 5.40858900 1 Gd Gd2 1 1.80286300 1.80286300 1.80286300 1 Sb Sb3 1 3.60572600 3.60572600 3.60572600 1 [/CIF]
CoGd2Sb
Fm-3m
225
cubic
m-3m
8,770.323345
false
[CIF] data_LaHfTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59190182 _cell_length_b 4.48129886 _cell_length_c 6.89812598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfTl2 _chemical_formula_sum 'La1 Hf1 Tl2' _cell_volume 111.03489522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79595091 2.24064943 3.19183256 1 La La1 1 0.00000000 0.00000000 5.15922065 1 Tl Tl2 1 1.79595091 2.24064943 0.08493987 1 Tl Tl3 1 0.00000000 0.00000000 1.91119589 1 [/CIF]
HfLaTl2
Pmm2
25
orthorhombic
mm2
10,859.833601
false
[CIF] data_Ca3MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91189617 _cell_length_b 5.91189617 _cell_length_c 5.91189617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3MgTe _chemical_formula_sum 'Ca3 Mg1 Te1' _cell_volume 206.62382360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95594809 0.00000000 2.95594809 1 Ca Ca1 1 2.95594809 2.95594809 0.00000000 1 Ca Ca2 1 0.00000000 2.95594809 2.95594809 1 Te Te3 1 2.95594809 2.95594809 2.95594809 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca3MgTe
Pm-3m
221
cubic
m-3m
2,187.053909
false
[CIF] data_Li2YBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64324872 _cell_length_b 4.64324872 _cell_length_c 4.64324872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2YBe _chemical_formula_sum 'Li2 Y1 Be1' _cell_volume 70.78656636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.64163633 1.64163633 1.64163633 1 Li Li2 1 4.92490899 4.92490899 4.92490899 1 Y Y3 1 3.28327266 3.28327266 3.28327266 1 [/CIF]
BeLi2Y
Fm-3m
225
cubic
m-3m
2,622.649047
false
[CIF] data_CaTcO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56793900 _cell_length_b 7.65346900 _cell_length_c 5.30716100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTcO3 _chemical_formula_sum 'Ca4 Tc4 O12' _cell_volume 226.15961641 _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 Ca Ca0 1 2.44010475 1.91336725 5.21701075 1 Ca Ca1 1 0.34386475 5.74010175 2.56343025 1 Ca Ca2 1 5.22407425 1.91336725 2.74373075 1 Ca Ca3 1 3.12783425 5.74010175 0.09015025 1 O O4 1 3.90203375 0.38648950 4.27396075 1 O O5 1 4.44987475 7.26697950 1.62038025 1 O O6 1 1.11806425 3.44024500 3.68678075 1 O O7 1 1.66590525 4.21322400 1.03320025 1 O O8 1 1.66590525 7.26697950 1.03320025 1 O O9 1 1.11806425 0.38648950 3.68678075 1 O O10 1 4.44987475 4.21322400 1.62038025 1 O O11 1 3.90203375 3.44024500 4.27396075 1 O O12 1 0.16574475 1.91336725 0.52252975 1 O O13 1 2.61822475 5.74010175 3.17611025 1 O O14 1 2.94971425 1.91336725 2.13105075 1 O O15 1 5.40219425 5.74010175 4.78463125 1 Tc Tc16 1 2.78396950 0.00000000 2.65358050 1 Tc Tc17 1 0.00000000 0.00000000 0.00000000 1 Tc Tc18 1 0.00000000 3.82673450 0.00000000 1 Tc Tc19 1 2.78396950 3.82673450 2.65358050 1 [/CIF]
Ca4O12Tc4
Pnma
62
orthorhombic
mmm
5,491.547693
false
[CIF] data_YMnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65730978 _cell_length_b 4.65730978 _cell_length_c 4.65730978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnPd2 _chemical_formula_sum 'Y1 Mn1 Pd2' _cell_volume 71.43160047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.29321533 3.29321533 3.29321533 1 Pd Pd2 1 4.93982300 4.93982300 4.93982300 1 Y Y3 1 1.64660766 1.64660766 1.64660766 1 [/CIF]
MnPd2Y
F-43m
216
cubic
-43m
8,291.673968
false
[CIF] data_TiGaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78671030 _cell_length_b 4.78671030 _cell_length_c 4.78671030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaSe2 _chemical_formula_sum 'Ti1 Ga1 Se2' _cell_volume 77.55261264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.07707297 5.07707297 5.07707297 1 Se Se1 1 1.69235766 1.69235766 1.69235766 1 Se Se2 1 3.38471531 3.38471531 3.38471531 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaSe2Ti
F-43m
216
cubic
-43m
5,899.158038
false
[CIF] data_LaScHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03836878 _cell_length_b 5.03836878 _cell_length_c 5.03836878 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScHgW _chemical_formula_sum 'La1 Sc1 Hg1 W1' _cell_volume 90.43881404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56266473 3.56266473 3.56266473 1 La La1 1 5.34399710 5.34399710 5.34399710 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.78133236 1.78133236 1.78133236 1 [/CIF]
HgLaScW
F-43m
216
cubic
-43m
10,434.347807
false
[CIF] data_Mg2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38030134 _cell_length_b 4.38030134 _cell_length_c 3.24228639 _cell_angle_alpha 93.59270698 _cell_angle_beta 93.59270698 _cell_angle_gamma 97.11906750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CuPt _chemical_formula_sum 'Mg2 Cu1 Pt1' _cell_volume 61.45297613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.29604191 -1.64183291 1.61386055 1 Mg Mg2 1 1.29604191 1.64183291 1.61386055 1 Pt Pt3 1 2.89906512 0.00000000 0.00000000 1 [/CIF]
CuMg2Pt
C2/m
12
monoclinic
2/m
8,302.023026
false
[CIF] data_ZrScRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29852421 _cell_length_b 5.29852421 _cell_length_c 5.29852421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScRe4 _chemical_formula_sum 'Zr1 Sc1 Re4' _cell_volume 105.18402161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80967973 2.80967973 4.68356507 1 Re Re1 1 2.80967973 4.68356507 2.80967973 1 Re Re2 1 4.68356507 2.80967973 2.80967973 1 Re Re3 1 4.68356507 4.68356507 4.68356507 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 1.87331120 1.87331120 1.87331120 1 [/CIF]
Re4ScZr
F-43m
216
cubic
-43m
13,908.46284
false
[CIF] data_KSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81133567 _cell_length_b 9.37354375 _cell_length_c 9.37354375 _cell_angle_alpha 21.79675167 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSn5 _chemical_formula_sum 'K1 Sn5' _cell_volume 189.59474935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.29403057 1 Sn Sn1 1 0.00000000 -0.00000000 12.35782335 1 Sn Sn2 1 0.00000000 0.00000000 5.80152207 1 Sn Sn3 1 2.90566783 -0.00000000 10.86479911 1 Sn Sn4 1 2.90566783 0.00000000 4.20576290 1 Sn Sn5 1 2.90566783 -0.00000000 15.97560553 1 [/CIF]
KSn5
Amm2
38
orthorhombic
mm2
5,540.961557
false