Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1217010 | TiBe4Nb | data_[Ti4Be16Nb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4712]
_cell_length_b [6.4712]
_cell_length_c [6.4712]
_... |
mp-1210869 | LiGaPO4F | data_[Li2Ga2P2O8F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.... |
mp-1185924 | Mn3Re | data_[Mn12Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8218]
_cell_length_b [5.8218]
_cell_length_c [5.8218]
_cell_angle_alpha [90.0000]
_cell... |
mp-864999 | Dy2IrRh | data_[Dy8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8644]
_cell_length_b [6.8644]
_cell_length_c [6.8644]
_c... |
mp-1209864 | Nd3ZrSb5 | data_[Nd6Zr2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5084]
_cell_length_b [9.5084]
_cell_length_c [6.3691... |
mp-31103 | Ni3Te2 | data_[Ni6Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1026]
_cell_length_b [3.8038]
_cell_length_c [7.5372]
_cell_angle_alpha [90.0000]
_cell... |
mp-1114529 | Rb2YInI6 | data_[Rb8Y4In4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.7317]
_cell_length_b [12.7... |
mp-542634 | Ta2Te3 | data_[Ta8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3569]
_cell_length_b [3.5110]
_cell_length_c [12.5790]
_cell_angle_alpha [90.0000]
_cel... |
mp-865649 | Ti2TcRh | data_[Ti8Tc4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2047]
_cell_length_b [6.2047]
_cell_length_c [6.2047]
_c... |
mp-777681 | Li3VF6 | data_[Li6V2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1542]
_cell_length_b [5.1542]
_cell_length_c [9.7042]
_cell... |
mp-1185319 | LiCl | data_[Li2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.9249]
_cell_length_b [3.9249]
_cell_length_c [6.3572]
_cell_angle_alpha [90.0000]
_cell... |
mp-414 | LuSe | data_[Lu4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6370]
_cell_length_b [5.6370]
_cell_length_c [5.6370]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102086 | TiNiAs | data_[Ti4Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2543]
_cell_length_b [3.7505]
_cell_length_c [7.1350]
_ce... |
mp-1206415 | MgNi3B | data_[Mg1Ni3B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8624]
_cell_length_b [3.8624]
_cell_length_c [3.8624]
_cel... |
mp-861663 | LiRh2Pb | data_[Li4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3441]
_cell_length_b [6.3441]
_cell_length_c [6.3441]
_c... |
mp-780295 | Li2VO2F | data_[Li8V4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0735]
_cell_length_b [2.9436]
... |
mp-13149 | BaAlSi | data_[Ba1Al1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3216]
_cell_length_b [4.3216]
_cell_length_c [5.1890]
_c... |
mp-1205762 | La2MgSi2 | data_[La4Mg2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5330]
_cell_length_b [7.5330]
_cell_length_c [4.4698]
_... |
mp-1187117 | Sn3Pb | data_[Sn6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7638]
_cell_length_b [6.7638]
_cell_length_c [5.8390]
_cell_angle_alpha [90.0000]
_ce... |
mp-1214316 | BaTbCuBO5 | data_[Ba2Tb2Cu2B2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a... |
mp-1551 | Te2Ir | data_[Te12Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1745]
_cell_length_b [4.0658]
_cell_length_c [5.4123]
_cell_angle_alpha [90.0000]
_cell... |
mp-1520614 | KBaBiWO6 | data_[K4Ba4Bi4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-10651 | YbSi | data_[Yb4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5407]
_cell_length_b [10.6182]
_cell_length_c [3.8820]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20748 | Dy4In(NiGe2)2 | data_[Dy8In2Ni4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5194]
_cell_length_b [4.... |
mp-570172 | HgIBr | data_[Hg4I4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2426]
_cell_length_b [7.4108]
_cell_length_c [13.6555]
_c... |
mp-753774 | KTmO2 | data_[K3Tm3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4237]
_cell_length_b [3.4237]
_cell_length_c [18.7156]
_cell_... |
mp-13658 | RbNO3 | data_[Rb2N2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6434]
_cell_length_b [5.8857]
_cell_length_c [4.9973]
_cell_a... |
mp-29463 | LiBeN | data_[Li4Be4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5503]
_cell_length_b [4.7659]
_cell_length_c [5.8007]
_ce... |
mp-11407 | GaPt3 | data_[Ga1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9476]
_cell_length_b [3.9476]
_cell_length_c [3.9476]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8837 | Ba3Er2Cu2PtO10 | data_[Ba6Er4Cu4Pt2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length... |
mp-11340 | Dy(Ni2As)2 | data_[Dy2Ni8As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2471]
_cell_length_b [7.2471]
_cell_length_c [3.7693]... |
mp-9948 | V5Te4 | data_[V10Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6954]
_cell_length_b [9.6954]
_cell_length_c [3.9765]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-14015 | HoMn12 | data_[Ho2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2663]
_cell_length_b [8.2663]
_cell_length_c [4.6946]
_cell_angle_alpha [90.0000]
_cel... |
mp-28328 | RbI3 | data_[Rb4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0198]
_cell_length_b [6.9946]
_cell_length_c [10.1156]
_cell_angle_alpha [90.0000]
_cell_... |
mp-558231 | Ba3Ho2Cu2PtO10 | data_[Ba6Ho4Cu4Pt2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length... |
mp-1078903 | SrZnSbF | data_[Sr2Zn2Sb2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3545]
_cell_length_b [4.3... |
mp-1229060 | Al(V4Ge)3 | data_[Al1V12Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7715]
_cell_length_b [4.7758]
_cell_length_c [9.5560]
_cel... |
mp-1213784 | CeAl6Pd | data_[Ce1Al6Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2929]
_cell_length_b [4.2929]
_cell_length_c [8.3149]
_... |
mp-753141 | Li5Cr2O8 | data_[Li5Cr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1576]
_cell_length_b [5.3632]
_cell_length_c [7.8063]
_cell_a... |
mp-1103934 | PrAl4 | data_[Pr2Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2905]
_cell_length_b [4.2905]
_cell_length_c [11.3590]
_cell_angle_alpha [90.0000]
_cel... |
mp-977 | LuIn3 | data_[Lu1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6105]
_cell_length_b [4.6105]
_cell_length_c [4.6105]
_cell_angle_alpha [90.0000]
_cell_... |
mp-12411 | Li2ZnGe | data_[Li8Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1739]
_cell_length_b [6.1739]
_cell_length_c [6.1739]
_c... |
mp-754605 | LiLuO2 | data_[Li4Lu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3541]
_cell_length_b [4.3541]
_cell_length_c [10.0973]
... |
mp-1183709 | CePa3 | data_[Ce1Pa3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6533]
_cell_length_b [4.6533]
_cell_length_c [4.6533]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23539 | KSn2Cl5 | data_[K4Sn8Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0933]
_cell_length_b [8.0933]
_cell_length_c [14.4083]
_... |
mp-1179864 | NaMnCu3Se4 | data_[Na1Mn1Cu3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.8695]
_cell_length_b [5.... |
mp-1113393 | Cs2SbAuBr6 | data_[Cs8Sb4Au4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3519]
_cell_length_b [... |
mp-1079141 | Pr(GeIr)2 | data_[Pr2Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2881]
_cell_length_b [4.2881]
_cell_length_c [10.2218]
... |
mp-1283877 | Co2As2O7 | data_[Co4As4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6137]
_cell_length_b [8.6712]
_cell_length_c [4.8613]
_cell_... |
mp-1178366 | Dy2SbO2 | data_[Dy4Sb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8540]
_cell_length_b [3.8540]
_cell_length_c [13.3564]
_c... |
mp-8684 | Cs2VAgS4 | data_[Cs16V8Ag8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8759]
_cell_length_b [14.40... |
mp-1178422 | Cs3GaO3 | data_[Cs12Ga4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8650]
_cell_length_b [12.4343]
_cell_length_c [7.3565]
_c... |
mp-1318725 | Li2MnO2F | data_[Li8Mn4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0412]
_cell_length_b [3.0489]
_... |
mp-567842 | TaBe12 | data_[Ta2Be24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.2986]
_cell_length_b [7.2986]
_cell_length_c [4.2140]
_cell_angle_alpha [90.0000]
_cel... |
mp-1178967 | Tb(BRh)4 | data_[Tb2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3476]
_cell_length_b [5.3476]
_cell_length_c [7.4764]
_... |
mp-866152 | TiBeCo2 | data_[Ti4Be4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5914]
_cell_length_b [5.5914]
_cell_length_c [5.5914]
_c... |
mp-1007691 | HfPt | data_[Hf4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3823]
_cell_length_b [10.3740]
_cell_length_c [4.3157]
_cell_angle_alpha [90.0000]
_cell_... |
mp-975612 | GdEr3 | data_[Gd2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1693]
_cell_length_b [7.1693]
_cell_length_c [5.6502]
_cell_angle_alpha [90.0000]
_ce... |
mp-505249 | Th(NiP)2 | data_[Th2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1061]
_cell_length_b [4.1061]
_cell_length_c [9.0183]
_ce... |
mp-1222129 | Mg2ZnP2 | data_[Mg2Zn1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0435]
_cell_length_b [4.0435]
_cell_length_c [6.5528]
_cell... |
mp-555313 | ScBiO3 | data_[Sc8Bi8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.9810]
_cell_length_b [5.8942]
_cell_length_c [10.1495]
_cell... |
mp-975605 | Pr6IrCl11 | data_[Pr12Ir2Cl22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4826]
_cell_length_b [12.8768]
_cell_length_c [7.4117]... |
mp-11526 | TmNi5 | data_[Tm1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8283]
_cell_length_b [4.8283]
_cell_length_c [3.9519]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186379 | NdYIn2 | data_[Nd4Y4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6568]
_cell_length_b [7.6568]
_cell_length_c [7.6568]
_cel... |
mp-1217314 | TeMo2Se3 | data_[Te1Mo2Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3842]
_cell_length_b [3.3842]
_cell_length_c [14.5904]
_c... |
mp-752582 | Li4VO4F | data_[Li16V4O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.0477]
_cell_length_b [8.6138]
_... |
mp-20538 | HoMgIn | data_[Ho3Mg3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5028]
_cell_length_b [7.5028]
_cell_length_c [4.6813]
_c... |
mvc-11645 | Zn(FeO2)2 | data_[Zn6Fe12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0045]
_cell_length_b [6.0045]
_cell_length_c [14.6785]
_c... |
mp-982009 | Pr2CdSn | data_[Pr8Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7689]
_cell_length_b [7.7689]
_cell_length_c [7.7689]
_c... |
mp-975883 | PrNdHg2 | data_[Pr4Nd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7185]
_cell_length_b [7.7185]
_cell_length_c [7.7185]
_c... |
mp-1207181 | TmNiAs | data_[Tm1Ni1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0296]
_cell_length_b [4.0296]
_cell_length_c [3.8118]
_c... |
mp-989573 | Rb2BrCl6F | data_[Rb8Br4Cl24F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2509]
_cell_length_b [10... |
mp-1206003 | Ce2NiGe6 | data_[Ce4Ni2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1183]
_cell_length_b [4.0745]
_cell_length_c [21.8083]
_... |
mp-754538 | HgPtO2 | data_[Hg3Pt3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2015]
_cell_length_b [3.2015]
_cell_length_c [23.2311]
_cel... |
mp-542724 | LaNbO4 | data_[La4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5713]
_cell_length_b [11.7007]
_cell_length_c [5.3607]
_ce... |
mp-1225534 | DyMnAl | data_[Dy4Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4559]
_cell_length_b [5.5101]
_cell_length_c [7.5619]
_ce... |
mp-20838 | CaIn4Ir | data_[Ca2In8Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.7901]
_cell_length_b [4.2970]
_cell_length_c [7.5945]
_ce... |
mp-1190085 | ZrB4Ir3 | data_[Zr2B8Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.6430]
_cell_length_b [7.6430]
_cell_length_c [3.5370]
_ce... |
mp-1221658 | Mn6Zn2CN | data_[Mn6Zn2C1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8800]
_cell_length_b [3.880... |
mp-642682 | CsHO | data_[Cs4H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.4128]
_cell_length_b [4.4686]
_cell_length_c [13.1894]
... |
mp-1212129 | HoHfF7 | data_[Ho2Hf2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0357]
_cell_length_b [5.7308]
_cell_length_c [8.2552]
_cel... |
mp-1209 | RbAu5 | data_[Rb1Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.8965]
_cell_length_b [5.8965]
_cell_length_c [4.5583]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105907 | Er3Ni | data_[Er12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7543]
_cell_length_b [9.4558]
_cell_length_c [6.2710]
_cell_angle_alpha [90.0000]
_cell_... |
mp-21223 | YbIn2Ni | data_[Yb4In8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3589]
_cell_length_b [10.1336]
_cell_length_c [7.7129]
_c... |
mp-543011 | ZnS | data_[Zn21S21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8592]
_cell_length_b [3.8592]
_cell_length_c [66.1352]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1221139 | Na4TeSe | data_[Na4Te1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0074]
_cell_length_b [5.0074]
_cell_length_c [7.1132]
_... |
mp-1521653 | Eu2HfTiO6 | data_[Eu8Hf4Ti4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0824]
_cell_length_b [8.0... |
mp-1224681 | GdAgSn2 | data_[Gd1Ag1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6948]
_cell_length_b [4.6948]
_cell_length_c [4.4084]
_... |
mp-1221502 | MnZnS2 | data_[Mn1Zn1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9158]
_cell_length_b [3.9158]
_cell_length_c [6.3926]
_cell... |
mp-14623 | K5CuAs2 | data_[K10Cu2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7871]
_cell_length_b [5.7871]
_cell_length_c [18.9501]... |
mp-1106165 | Nb5Si3B | data_[Nb10Si6B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.6733]
_cell_length_b [7.6733]
_cell_length_c [5.3100]
... |
mp-1205755 | TbSnIr | data_[Tb3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4890]
_cell_length_b [7.4890]
_cell_length_c [3.9822]
_c... |
mp-1187333 | TbErHg2 | data_[Tb4Er4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4485]
_cell_length_b [7.4485]
_cell_length_c [7.4485]
_c... |
mp-1215701 | Zn2InCuTe4 | data_[Zn4In2Cu2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2461]
_cell_length_b [6.... |
mp-1205473 | Zr5AgPb3 | data_[Zr10Ag2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8825]
_cell_length_b [8.8825]
_cell_length_c [5.9973... |
mp-756933 | TaTlO3 | data_[Ta16Tl16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7730]
_cell_length_b [10.7730]
_cell_length_c [10.7730... |
mp-975272 | Hg | data_[Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5503]
_cell_length_b [6.2789]
_cell_length_c [5.6441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1280463 | Al2NiO4 | data_[Al32Ni16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1290]
_cell_length_b [8.1730]
_cell_length_c [5.7556]
_cel... |
mp-997394 | NbAgF6 | data_[Nb2Ag2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.1216]
_cell_length_b [5.1216]
_cell_length_c [9.6291]
... |
mp-540569 | CsCr5S8 | data_[Cs2Cr10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1073]
_cell_length_b [3.5254]
_cell_length_c [8.8412]
_c... |
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