Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1217055 | TiAlFeO5 | data_[Ti4Al4Fe4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7435]
_cell_length_b [9.... |
mp-1114671 | Rb2NaScCl6 | data_[Rb8Na4Sc4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5222]
_cell_length_b [... |
mp-3924 | LiNbO2 | data_[Li2Nb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9382]
_cell_length_b [2.9382]
_cell_length_c [10.5962]
... |
mp-1102364 | AsRh2 | data_[As4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8473]
_cell_length_b [4.0040]
_cell_length_c [7.5245]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1221969 | MgFe4NiO8 | data_[Mg3Fe12Ni3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0347]
_cell_length_b [6.03... |
mp-570947 | YbSnAu | data_[Yb12Sn12Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7633]
_cell_length_b [21.9993]
_cell_length_c [8.2312]... |
mp-1101898 | Li4Ce3Ge4 | data_[Li8Ce6Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4855]
_cell_length_b [6.8066]
_cell_length_c [14.5578]
_c... |
mp-1185301 | LiF | data_[Li2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.1395]
_cell_length_b [3.1395]
_cell_length_c [4.9464]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-972220 | TiPt3 | data_[Ti2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6123]
_cell_length_b [5.6123]
_cell_length_c [4.5216]
_cell_angle_alpha [90.0000]
_ce... |
mp-568151 | Ti5Ge3 | data_[Ti10Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.5907]
_cell_length_b [7.5907]
_cell_length_c [5.2267]
_cell_angle_alpha [90.0000]
_c... |
mp-2430 | ZrGe2 | data_[Zr4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8487]
_cell_length_b [15.1708]
_cell_length_c [3.8166]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183335 | BaSr3 | data_[Ba2Sr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1474]
_cell_length_b [6.1474]
_cell_length_c [12.1697]
_cell_angle_alpha [90.0000]
_cel... |
mp-1183920 | CsPaO3 | data_[Cs1Pa1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4566]
_cell_length_b [4.4566]
_cell_length_c [4.4566]
_cel... |
mp-37399 | Li7NbO6 | data_[Li21Nb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6103]
_cell_length_b [5.6103]
_cell_length_c [14.7742]
_cel... |
mp-1220546 | NbCrFe | data_[Nb8Cr8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8025]
_cell_length_b [4.8285]
_cell_length_c [8.4933]
_ce... |
mp-558946 | BaSbSe2F | data_[Ba4Sb4Se8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3148]
_cell_length_b [6.4505... |
mp-3408 | CeAlO3 | data_[Ce6Al6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.3722]
_cell_length_b [5.3722]
_cell_length_c [13.1290]
_ce... |
mp-975336 | KCSN | data_[K4C4S4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.5156]
_cell_length_b [11.1390]
_c... |
mp-989550 | Rb2TlInCl6 | data_[Rb8Tl4In4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1774]
_cell_length_b [... |
mp-558650 | UCu2(PO5)2 | data_[U2Cu4P4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2954]
_cell_length_b [5.8264]... |
mp-1216073 | Y2NiGe3 | data_[Y2Ni1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0415]
_cell_length_b [4.1871]
_cell_length_c [7.0216]
_cell... |
mp-1227466 | BaVSe2S | data_[Ba4V4Se8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.9614]
_cell_length_b [6.9156]... |
mp-864655 | PaCo3 | data_[Pa1Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8040]
_cell_length_b [3.8040]
_cell_length_c [3.8040]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1220290 | Nd2Ge3 | data_[Nd4Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1399]
_cell_length_b [4.1972]
_cell_length_c [14.4401]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864759 | LiYb2Ir | data_[Li4Yb8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9493]
_cell_length_b [6.9493]
_cell_length_c [6.9493]
_c... |
mp-1220787 | NaLaZr2O6 | data_[Na2La2Zr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8813]
_cell_length_b [8.17... |
mp-1217280 | Th4SiGe | data_[Th8Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [7.4089]
_cell_length_b [7.4089]
_cell_length_c [6.0419]
_ce... |
mp-1227435 | BaVSeS2 | data_[Ba4V4Se4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6737]
_cell_length_b [7.0275]... |
mp-13949 | Cd(GaTe2)2 | data_[Cd2Ga4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2727]
_cell_length_b [6.2727]
_cell_length_c [12.0142]
_ce... |
mp-1078772 | TmAgGe | data_[Tm3Ag3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1278]
_cell_length_b [7.1278]
_cell_length_c [4.1759]
_c... |
mp-1224066 | Ho(MnAl)6 | data_[Ho2Mn12Al12]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9337]
_cell_length_b [8.6072]
_cell_length_c [8.8168]
_... |
mp-1227679 | Ca3TbMn4O12 | data_[Ca3Tb1Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3521]
_cell_length_b [7.5929... |
mp-27194 | SnI2 | data_[Sn6I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8318]
_cell_length_b [4.5117]
_cell_length_c [11.1665]
_cell_angle_alpha [90.0000]
_cell_... |
mp-760403 | CaCd3O4 | data_[Ca2Cd6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7419]
_cell_length_b [9.5870]
_cell_length_c [3.4119]
_cell... |
mp-1219005 | SmYCo4 | data_[Sm4Y4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1986]
_cell_length_b [7.1986]
_cell_length_c [7.1986]
_ce... |
mp-998157 | RbSnBr3 | data_[Rb1Sn1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8649]
_cell_length_b [5.8681]
_cell_length_c [5.8708]
_cell... |
mp-30069 | CuNi2Sb | data_[Cu4Ni8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9777]
_cell_length_b [5.9777]
_cell_length_c [5.9777]
_c... |
mp-1185510 | LuScCo2 | data_[Lu4Sc4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3830]
_cell_length_b [6.3830]
_cell_length_c [6.3830]
_c... |
mp-4549 | SrSiN2 | data_[Sr4Si4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9888]
_cell_length_b [7.3781]
_cell_length_c [5.5467]
_ce... |
mp-570597 | La2GeI2 | data_[La2Ge1I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4989]
_cell_length_b [4.4989]
_cell_length_c [11.0376]
_ce... |
mp-1113499 | Cs3PdF6 | data_[Cs12Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7321]
_cell_length_b [9.7321]
_cell_length_c [9.7321]
_c... |
mp-1206230 | RbTlO | data_[Rb4Tl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6791]
_cell_length_b [3.7826]
_cell_length_c [6.5485]
_cel... |
mp-1080715 | ScSiRu | data_[Sc3Si3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9200]
_cell_length_b [6.9200]
_cell_length_c [3.3888]
_c... |
mp-862934 | Li2PmTl | data_[Li8Pm4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9852]
_cell_length_b [6.9852]
_cell_length_c [6.9852]
_c... |
mp-753309 | Bi2OF4 | data_[Bi8O4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0313]
_cell_length_b [5.6667]
_cell_length_c [5.8314]
_cell... |
mp-1208626 | SrRhO3 | data_[Sr4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6686]
_cell_length_b [7.9677]
_cell_length_c [5.5798]
_cel... |
mp-1065288 | GdInAu2 | data_[Gd4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2853]
_cell_length_b [7.2853]
_cell_length_c [7.2853]
_c... |
mp-30110 | SrLaI4 | data_[Sr4La4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3621]
_cell_length_b [15.0614]
_cell_length_c [7.5685]
_c... |
mp-9307 | Ba2ZnN2 | data_[Ba4Zn2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2211]
_cell_length_b [4.2211]
_cell_length_c [13.0550]
_c... |
mp-1079204 | Sm(CuSn)2 | data_[Sm2Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4627]
_cell_length_b [4.4627]
_cell_length_c [10.5330]
... |
mvc-15643 | WO3 | data_[W4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.3455]
_cell_length_b [5.4114]
_cell_length_c [7.7130]
_cell_angle_alpha [90.0000]
_cel... |
mp-16763 | KYTe2 | data_[K3Y3Te6]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5025]
_cell_length_b [4.5025]
_cell_length_c [24.7548]
_cell_... |
mp-10596 | FeIr3 | data_[Fe1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7902]
_cell_length_b [3.7902]
_cell_length_c [3.7902]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226749 | CePdPt4 | data_[Ce1Pd1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3739]
_cell_length_b [5.3739]
_cell_length_c [4.4499]
_c... |
mp-755647 | CaPt3O4 | data_[Ca2Pt6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.8752]
_cell_length_b [5.8752]
_cell_length_c [5.8752]
_cel... |
mp-22083 | Tb7O12 | data_[Tb21O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1410]
_cell_length_b [10.1410]
_cell_length_c [9.4172]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189532 | Th3In5 | data_[Th12In20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.3442]
_cell_length_b [8.3277]
_cell_length_c [10.4650]
_cell_angle_alpha [90.0000]
_ce... |
mp-1637 | Re2P | data_[Re8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5778]
_cell_length_b [2.9661]
_cell_length_c [10.1130]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1190079 | Tb2Si4Mo3 | data_[Tb4Si8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8899]
_cell_length_b [6.9504]
_cell_length_c [6.7681]
_... |
mp-27032 | MnP2O7 | data_[Mn2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5015]
_cell_length_b [7.7687]
_cell_length_c [4.4507]
_cell_an... |
mp-1023926 | Te2W | data_[Te2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5543]
_cell_length_b [3.5543]
_cell_length_c [17.5161]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-2167 | DyAg | data_[Dy1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6432]
_cell_length_b [3.6432]
_cell_length_c [3.6432]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215339 | ZrFeMo | data_[Zr8Fe8Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4862]
_cell_length_b [5.2026]
_cell_length_c [9.0386]
_ce... |
mp-625394 | 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 [P6_3/m]
_cell_length_a [6.5598]
_cell_length_b [6.5598]
_cell_length_c [3.8637]
_cell... |
mp-1275405 | La2CoNiO6 | data_[La2Co1Ni1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4210]
_cell_length_b [5.4924... |
mp-1104413 | Eu5Pt2 | data_[Eu20Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8171]
_cell_length_b [6.7951]
_cell_length_c [7.8322]
_cell_angle_alpha [90.0000]
_cell... |
mp-4404 | Sr(AsRu)2 | data_[Sr2As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2169]
_cell_length_b [4.2169]
_cell_length_c [11.3344]
... |
mp-1216330 | VFeSbO6 | data_[V2Fe2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.6376]
_cell_length_b [4.63... |
mp-1217360 | Ti(CrS2)2 | data_[Ti2Cr4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5938]
_cell_length_b [3.4034]
_cell_length_c [5.9654]
_cell_... |
mp-8654 | PrSiRu | data_[Pr2Si2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2350]
_cell_length_b [4.2350]
_cell_length_c [7.0809]
_... |
mp-1227843 | BaSr(PbO3)2 | data_[Ba2Sr2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.6122]
_cell_length_b [6.... |
mp-1102316 | TmOs2 | data_[Tm4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3090]
_cell_length_b [5.3090]
_cell_length_c [8.7148]
_cell_angle_alpha [90.0000]
_ce... |
mp-18787 | Ba2Mn3(SbO)2 | data_[Ba4Mn6Sb4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [I4/mmm]
_cell_length_a [4.4345]
_cell_length_b [4.4... |
mp-754364 | Y2CuO4 | data_[Y4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8843]
_cell_length_b [3.8843]
_cell_length_c [11.7696]
_cel... |
mp-1187816 | YAg3 | data_[Y2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4395]
_cell_length_b [4.4395]
_cell_length_c [8.4829]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-9481 | TcS2 | data_[Tc4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4080]
_cell_length_b [6.5172]
_cell_length_c [7.5399]
_cell_angle_alpha [66.7892]
_cell_angl... |
mp-8717 | Rb2MnSe2 | data_[Rb8Mn4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.3759]
_cell_length_b [13.8960]
_cell_length_c [6.7035]
_c... |
mp-20400 | Ce(GePt)2 | data_[Ce2Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4088]
_cell_length_b [4.4088]
_cell_length_c [9.9386]
_... |
mp-862375 | Sc2TcHg | data_[Sc8Tc4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7359]
_cell_length_b [6.7359]
_cell_length_c [6.7359]
_c... |
mp-558005 | HoMoClO4 | data_[Ho4Mo4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2781]
_cell_length_b [7.2... |
mp-8724 | K2TeO3 | data_[K4Te2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.4050]
_cell_length_b [6.4050]
_cell_length_c [7.2037]
_cell_an... |
mp-88 | Dy | data_[Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6267]
_cell_length_b [3.6267]
_cell_length_c [5.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1185992 | MnCuPt2 | data_[Mn4Cu4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0383]
_cell_length_b [6.0383]
_cell_length_c [6.0383]
_c... |
mp-998592 | RbCaI3 | data_[Rb4Ca4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5091]
_cell_length_b [4.7331]
_cell_length_c [17.6706]
_c... |
mp-29590 | Sn2OF5 | data_[Sn8O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
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 [9.3601]
_cell_length_b [6.7852]
_cell_length_c [8.4825]
_cell_... |
mp-1189433 | La5Sn3C | data_[La10Sn6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5586]
_cell_length_b [9.5586]
_cell_length_c [6.8782]
... |
mp-1228393 | Ba2InBiO6 | data_[Ba8In4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6019]
_cell_length_b [8.6... |
mp-1112789 | Cs2KBiBr6 | data_[Cs8K4Bi4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0830]
_cell_length_b [12... |
mp-24093 | CuH | data_[Cu2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.8486]
_cell_length_b [2.8486]
_cell_length_c [4.5713]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1178506 | BaSrI4 | data_[Ba1Sr1I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8071]
_cell_length_b [5.8071]
_cell_length_c [8.2510]
_ce... |
mp-571223 | Tb3(CuSn)4 | data_[Tb6Cu8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4788]
_cell_length_b [6.9637]
_cell_length_c [14.7555]
_c... |
mp-849465 | Mn6OF11 | data_[Mn12O2F22]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2910]
_cell_length_b [7.0694]
_cell_length_c [20.7717]
_cel... |
mp-21374 | Cd(InTe2)2 | data_[Cd2In4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4242]
_cell_length_b [6.4242]
_cell_length_c [12.6577]
_ce... |
mp-867134 | SmCl2 | data_[Sm2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0633]
_cell_length_b [7.0633]
_cell_length_c [3.5529]
_cell_angle_alpha [90.0000]
_ce... |
mp-8203 | Zr(PS3)2 | data_[Zr2P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [6.9104]
_cell_length_b [6.9104]
_cell_length_c [9.5307]
_cel... |
mp-1315852 | VO2 | data_[V6O12]
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 [P-1]
_cell_length_a [5.2826]
_cell_length_b [5.4759]
_cell_length_c [8.2616]
_cell_angle_alpha [88.9853]
_cell_angle... |
mp-977561 | LiTaIr2 | data_[Li4Ta4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1668]
_cell_length_b [6.1668]
_cell_length_c [6.1668]
_c... |
mp-1225919 | Eu2In3Ni | data_[Eu2In3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8489]
_cell_length_b [4.8266]
_cell_length_c [8.5537]
_ce... |
mp-776754 | Li2Fe3F8 | data_[Li2Fe3F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3481]
_cell_length_b [5.6908]
_cell_length_c [5.9274]
_cell_... |
mp-865903 | YbPmPt2 | data_[Yb4Pm4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pm 1.1300 1.8500 1.1100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0283]
_cell_length_b [7.0283]
_cell_length_c [7.0283]
_c... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.