Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-676448 | CsTiZnOF5 | data_[Cs4Ti4Zn4O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a... |
mp-18865 | K3(FeO2)2 | data_[K24Fe16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0758]
_cell_length_b [11.5731]
_cell_length_c [17.1642]
_c... |
mp-1205335 | RbAg3S2 | data_[Rb4Ag12S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2222]
_cell_length_b [4.3441]
_cell_length_c [8.9751]
_ce... |
mp-753819 | MnTlO3 | data_[Mn4Tl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9336]
_cell_length_b [5.4891]
_cell_length_c [5.5671]
_c... |
mp-7924 | Li2Sn5 | data_[Li4Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.3461]
_cell_length_b [10.3461]
_cell_length_c [3.1585]
_cell_angle_alpha [90.0000]
_c... |
mp-1283577 | CrO | data_[Cr4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [4.1098]
_cell_length_b [4.4682]
_cell_length_c [5.4499]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-21451 | Ba2SmCu3O7 | data_[Ba2Sm1Cu3O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8777]
_cell_length_b [3.939... |
mp-867860 | SmZnAu2 | data_[Sm4Zn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9476]
_cell_length_b [6.9476]
_cell_length_c [6.9476]
_c... |
mp-1221515 | MnZn4Se5 | data_[Mn2Zn8Se10]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5378]
_cell_length_b [4.0819]
_cell_length_c [10.0008]
_c... |
mp-1225618 | Er2Ga6Cu11 | data_[Er6Ga18Cu33]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7432]
_cell_length_b [8.7432]
_cell_length_c [12.5717]
... |
mp-757065 | Mn(SbO3)4 | data_[Mn1Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0828]
_cell_length_b [5.5035]
_cell_length_c [7.5511]
_cell_... |
mp-546500 | NaCNO | data_[Na3C3N3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6726]
_cell_length_b [3.6726]
_c... |
mp-1188262 | TbScS3 | data_[Tb4Sc4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0472]
_cell_length_b [9.5558]
_cell_length_c [6.4110]
_cel... |
mp-1218909 | SnTe5Pb4 | data_[Sn3Te15Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6589]
_cell_length_b [4.6589]
_cell_length_c [56.1827]
... |
mp-1096992 | Hg | data_[Hg8]
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 [I-42d]
_cell_length_a [6.4543]
_cell_length_b [6.4543]
_cell_length_c [6.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-23739 | SiH4 | data_[Si4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6490]
_cell_length_b [5.0596]
_cell_length_c [7.6935]
_cell_angle_alpha [90.0000]
_cell_... |
mp-637308 | Ce5Sn3 | data_[Ce20Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [12.4282]
_cell_length_b [12.4282]
_cell_length_c [6.1040]
_cell_angle_alpha [90.0000]
_... |
mp-5168 | AlSiP3 | data_[Al4Si4P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8996]
_cell_length_b [9.9065]
_cell_length_c [6.1425]
_cel... |
mp-1106000 | La3Tl5 | data_[La12Tl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.8243]
_cell_length_b [8.6237]
_cell_length_c [10.5642]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225961 | CsScCuF6 | data_[Cs4Sc4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3780]
_cell_length_b [7.71... |
mp-1215598 | Zr2Se3 | data_[Zr8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5305]
_cell_length_b [11.3284]
_cell_length_c [6.7260]
_cell_angle_alpha [90.0000]
_cell... |
mp-1177938 | Li2Mn3FeO8 | data_[Li6Mn9Fe3O24]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.9332]
_cell_length_b [5.933... |
mp-862 | CaSi2 | data_[Ca4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2430]
_cell_length_b [4.2430]
_cell_length_c [13.6862]
_cell_angle_alpha [90.0000]
_c... |
mp-1103066 | SmSiPd | data_[Sm4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1677]
_cell_length_b [4.3260]
_cell_length_c [7.6736]
_ce... |
mp-998929 | K2O | data_[K6O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [7.0890]
_cell_length_b [7.0890]
_cell_length_c [4.3641]
_cell_angle_alpha [90.0000]
_cell_angle_b... |
mp-3402 | UTeN | data_[U2Te2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8641]
_cell_length_b [3.8641]
_cell_length_c [8.3391]
_cell... |
mp-1297057 | Li2VCrO4 | data_[Li8V4Cr4O16]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7801]
_cell_length_b [4.0625]
... |
mp-1225609 | Er2US3O2 | data_[Er4U2S6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7734]
_cell_length_b [3.7734]
_... |
mp-625406 | La(HO)3 | data_[La2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6168]
_cell_length_b [3.8322]
_cell_length_c [6.6647]
_cell... |
mp-621659 | La2Ge5Ir3 | data_[La8Ge20Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.3270]
_cell_length_b [12.1593]
_cell_length_c [6.1635]... |
mp-1215535 | YbGa3Cu | data_[Yb2Ga6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1228]
_cell_length_b [4.1228]
_cell_length_c [10.7988]
_... |
mp-10417 | KSbO2 | data_[K4Sb4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9702]
_cell_length_b [8.6779]
_cell_length_c [5.6797]
_cell_a... |
mp-1217730 | Tb2Fe17C | data_[Tb4Fe34C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6201]
_cell_length_b [8.5929]
_cell_length_c [6.4249]
_cel... |
mp-752988 | LiV3(OF2)4 | data_[Li1V3O4F8]
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 [P1]
_cell_length_a [5.4399]
_cell_length_b [5.8386]
_ce... |
mp-978557 | SmDyHg2 | data_[Sm4Dy4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5369]
_cell_length_b [7.5369]
_cell_length_c [7.5369]
_c... |
mp-1542042 | CsHg5Cl11 | data_[Cs2Hg10Cl22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9046]
_cell_length_b [15.6606]
_cell_length_c [7.2183]... |
mp-980064 | YbErHg2 | data_[Yb4Er4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [7.4196]
_cell_length_b [7.4196]
_cell_length_c [7.4196]
_c... |
mvc-7329 | Ca(SbO2)2 | data_[Ca4Sb8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7540]
_cell_length_b [3.4681]
_cell_length_c [11.3503]
_c... |
mp-1077423 | TmAlZn | data_[Tm2Al2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4875]
_cell_length_b [4.4875]
_cell_length_c [6.8793]... |
mp-1078625 | Tm2InAu2 | data_[Tm4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9670]
_cell_length_b [7.9670]
_cell_length_c [3.6351]
_... |
mp-1096947 | DyMn2O4 | data_[Dy3Mn6O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6019]
_cell_length_b [3.6019]
_cell_length_c [25.1175]
_ce... |
mp-1215177 | ZrTiMo4 | data_[Zr4Ti4Mo16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5376]
_cell_length_b [7.5376]
_cell_length_c [7.5376]
_... |
mp-1228857 | CsTlCuF6 | data_[Cs4Tl4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5806]
_cell_length_b [8.05... |
mp-1209337 | PrVSb3 | data_[Pr4V4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.3021]
_cell_length_b [6.2924]
_cell_length_c [6.0931]
_ce... |
mp-776441 | VOF3 | data_[V4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P-1]
_cell_length_a [5.4745]
_cell_length_b [5.4966]
_cell_length_c [10.4353]
_cell_an... |
mp-1215776 | Zr2Ga3Co | data_[Zr4Ga6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8362]
_cell_length_b [4.1755]
_cell_length_c [6.5481]
_cell... |
mp-714911 | V3O5 | data_[V12O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.1787]
_cell_length_b [5.1957]
_cell_length_c [7.1090]
_cell_angle_alpha [90.0000]
_cell_angl... |
mvc-5791 | Mg2CoIrO6 | data_[Mg4Co2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0390]
_cell_length_b [5.... |
mp-18759 | Mn3O4 | data_[Mn12O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8717]
_cell_length_b [5.8717]
_cell_length_c [9.5980]
_cell_angle_alpha [90.0000]
_ce... |
mp-554245 | BaPb2IF5 | data_[Ba2Pb4I2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.1302]
_cell_length_b [6.13... |
mp-1186309 | NdHoTl2 | data_[Nd4Ho4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6973]
_cell_length_b [7.6973]
_cell_length_c [7.6973]
_c... |
mp-1221924 | Mn2CrI6 | data_[Mn4Cr2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3078]
_cell_length_b [4.0874]
_cell_length_c [21.7851]
_ce... |
mp-1222794 | LaGa3Pt | data_[La2Ga6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3506]
_cell_length_b [4.3506]
_cell_length_c [10.6519]
_... |
mp-3854 | Y(MnSi)2 | data_[Y2Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8982]
_cell_length_b [3.8982]
_cell_length_c [10.3327]
_c... |
mp-867774 | Ta2CrOs | data_[Ta8Cr4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2943]
_cell_length_b [6.2943]
_cell_length_c [6.2943]
_c... |
mp-1227846 | Ca3LaMn2(IrO6)2 | data_[Ca3La1Mn2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-862797 | RbAcTe2 | data_[Rb4Ac4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ac 1.1000 1.9500 1.2600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3278]
_cell_length_b [8.3278]
_cell_length_c [8.3278]
_c... |
mp-1113308 | Cs2AlHgF6 | data_[Cs8Al4Hg4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0809]
_cell_length_b [9.0... |
mp-582421 | KUCuSe3 | data_[K4U4Cu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1049]
_cell_length_b [14.762... |
mp-1272781 | Cr2CuO4 | data_[Cr8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0265]
_cell_length_b [6.0945]
_cell_length_c [8.1657]
_cel... |
mp-1219356 | ScAlCu | data_[Sc8Al8Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3881]
_cell_length_b [5.2711]
_cell_length_c [8.9399]
_ce... |
mp-557464 | MoSeCl7O | data_[Mo2Se2Cl14O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.1715]
_cell_length_b [8.570... |
mp-1173888 | Li2CoO3 | data_[Li8Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.9632]
_cell_length_b [8.8225]
_cell_length_c [5.0327]
_cell_... |
mp-1079440 | NiAsPd | data_[Ni3As3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2470]
_cell_length_b [6.2470]
_cell_length_c [3.7508]
_c... |
mp-28391 | SiCl4 | data_[Si4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3991]
_cell_length_b [6.8559]
_cell_length_c [10.4867]
_cell_angle_alpha [90.0000]
_c... |
mp-19352 | KAl(MoO4)2 | data_[K1Al1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6379]
_cell_length_b [5.6379... |
mp-1021498 | P3Pd | data_[P24Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.2225]
_cell_length_b [8.2225]
_cell_length_c [8.2225]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1207629 | YRhO3 | data_[Y4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8056]
_cell_length_b [7.6775]
_cell_length_c [5.2999]
_cell_... |
mp-1111654 | K2LiYCl6 | data_[K8Li4Y4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4025]
_cell_length_b [10.4... |
mp-1183621 | Cd3Pd | data_[Cd3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2598]
_cell_length_b [4.2598]
_cell_length_c [4.2598]
_cell_angle_alpha [90.0000]
_cell_... |
mp-982448 | Pm3Y | data_[Pm6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1475]
_cell_length_b [5.1475]
_cell_length_c [10.2698]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1006888 | KYS2 | data_[K3Y3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0526]
_cell_length_b [4.0526]
_cell_length_c [22.2203]
_cell_an... |
mp-21343 | CeB6 | data_[Ce1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1145]
_cell_length_b [4.1145]
_cell_length_c [4.1145]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22442 | Ba2NaOsO6 | data_[Ba8Na4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3974]
_cell_length_b [8.3... |
mp-996967 | TlCuO2 | data_[Tl3Cu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5367]
_cell_length_b [3.5367]
_cell_length_c [17.7267]
_cel... |
mp-1218577 | Sr3CaTi4O12 | data_[Sr6Ca2Ti8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5956]
_cell_length_b [5.5682... |
mp-1224447 | H2CBrCl | data_[H8C4Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [4.6813]
_cell_length_b [10.... |
mp-1225856 | CsVWO6 | data_[Cs4V4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1235]
_cell_length_b [7.3644]
... |
mp-1220457 | Nd10(SiGe)3 | data_[Nd10Si3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8393]
_cell_length_b [8.8393]
_cell_length_c [6.6827]
_... |
mp-10671 | Sr3(AlGe)2 | data_[Sr6Al4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2519]
_cell_length_b [4.8667]
_cell_length_c [19.3880]
_c... |
mp-1216353 | UAl7Fe3Cu2 | data_[U2Al14Fe6Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1988]
_cell_length_b [5.017... |
mp-6591 | SrLiAlF6 | data_[Sr2Li2Al2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1653]
_cell_length_b [5.1... |
mp-1101810 | Ge2W | data_[Ge8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4342]
_cell_length_b [3.4934]
_cell_length_c [8.6223]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1729 | SmFe2 | data_[Sm8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3826]
_cell_length_b [7.3826]
_cell_length_c [7.3826]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183377 | Ac2InGa | data_[Ac8In4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0782]
_cell_length_b [8.0782]
_cell_length_c [8.0782]
_c... |
mp-1213694 | Cs3Tl2Br9 | data_[Cs3Tl2Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.0416]
_cell_length_b [8.0416]
_cell_length_c [9.8416]
_c... |
mp-1183850 | CeBi3 | data_[Ce2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7020]
_cell_length_b [4.7020]
_cell_length_c [11.1344]
_cell_angle_alpha [90.0000]
_cel... |
mp-30328 | Ho6FeBi2 | data_[Ho6Fe1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3053]
_cell_length_b [8.3053]
_cell_length_c [4.1482]
_c... |
mp-1120780 | AuCl | data_[Au4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/ncm]
_cell_length_a [4.3959]
_cell_length_b [4.3959]
_cell_length_c [12.1964]
_cell_angle_alpha [90.0000]
_c... |
mp-1114574 | Rb2LiPrI6 | data_[Rb8Li4Pr4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2113]
_cell_length_b [12... |
mp-37255 | Na2RuO3 | data_[Na8Ru4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4917]
_cell_length_b [9.5123]
_cell_length_c [5.6697]
_cel... |
mp-1103909 | MnSeO5 | data_[Mn4Se4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9071]
_cell_length_b [8.5226]
_cell_length_c [7.0277]
_cel... |
mp-1112655 | Cs3CeCl6 | data_[Cs12Ce4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0802]
_cell_length_b [12.0802]
_cell_length_c [12.080... |
mp-29392 | Na2TiCl4 | data_[Na4Ti2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9989]
_cell_length_b [12.2445]
_cell_length_c [3.7642]
_c... |
mp-1186926 | Ru3Rh | data_[Ru6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4734]
_cell_length_b [5.4734]
_cell_length_c [4.3222]
_cell_angle_alpha [90.0000]
_ce... |
mp-1105065 | Dy4(FeB2)3 | data_[Dy12Fe9B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3267]
_cell_length_b [5.3267]
_cell_length_c [21.8536]
_c... |
mp-866188 | TlCdRh2 | data_[Tl4Cd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5397]
_cell_length_b [6.5397]
_cell_length_c [6.5397]
_c... |
mp-1030269 | Te4Mo3WS4 | data_[Te4Mo3W1S4]
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
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3576]
_cell_length_b [3.3576]... |
mp-8758 | SmRhC2 | data_[Sm2Rh2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6396]
_cell_length_b [4.7153]
_cell_length_c [6.6051]
_cell... |
mp-10108 | NpP | data_[Np4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6140]
_cell_length_b [5.6140]
_cell_length_c [5.6140]
_cell_angle_alpha [90.0000]
_cell_an... |
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