Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1214527 | Ba3Sn4Bi | data_[Ba12Sn16Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.3661]
_cell_length_b [9.3661]
_cell_length_c [13.4581... |
mp-755336 | NdIO | data_[Nd2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0850]
_cell_length_b [4.0850]
_cell_length_c [9.6295]
_cell... |
mp-2006 | V3Ir | data_[V6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.7870]
_cell_length_b [4.7870]
_cell_length_c [4.7870]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1185143 | La2CdHg | data_[La8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8623]
_cell_length_b [7.8623]
_cell_length_c [7.8623]
_c... |
mp-1185152 | La3Tb | data_[La6Tb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2373]
_cell_length_b [5.2373]
_cell_length_c [10.5653]
_cell_angle_alpha [90.0000]
_cel... |
mp-971837 | ZnCdTe2 | data_[Zn4Cd4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4312]
_cell_length_b [6.4312]
_cell_length_c [12.7145]
_... |
mp-1095264 | OsO2 | data_[Os4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [4.9272]
_cell_length_b [4.9272]
_cell_length_c [4.9272]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-23752 | Cs2MgH4 | data_[Cs4Mg2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3239]
_cell_length_b [4.3239]
_cell_length_c [14.9713]
_c... |
mp-756177 | Li4ZrNb(TeO6)2 | data_[Li4Zr1Nb1Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-765749 | Ni3OF5 | data_[Ni12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
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 [9.0423]
_cell_length_b [6.6914]
_cell_length_c [7.2789]
_cell... |
mp-1206424 | Sr(SiPt)2 | data_[Sr2Si4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3034]
_cell_length_b [4.3034]
_cell_length_c [10.1921]
... |
mp-713 | KAs | data_[K8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.5613]
_cell_length_b [6.8035]
_cell_length_c [11.7616]
_cell_angle_alpha [90.0000]
_c... |
mp-15217 | Rb2TaAgS4 | data_[Rb16Ta8Ag8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0056]
_cell_length_b [13.... |
mp-1018133 | LiHPd | data_[Li1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8091]
_cell_length_b [2.8091]
_cell_length_c [3.9158]
_ce... |
mp-1229205 | Ag(OsO3)2 | data_[Ag4Os8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.2630]
_cell_length_b [10.1802]
_cell_length_c [7.2401]
_ce... |
mp-1219264 | ScTi(NiSn)2 | data_[Sc3Ti3Ni6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2592]
_cell_length_b [4.25... |
mp-1224716 | Fe2CoSe4 | data_[Fe4Co2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1192]
_cell_length_b [3.5462]
_cell_length_c [6.1843]
_cel... |
mp-11400 | ScGaNi2 | data_[Sc4Ga4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0425]
_cell_length_b [6.0425]
_cell_length_c [6.0425]
_c... |
mp-1173970 | Li3Co2O5 | data_[Li12Co8O20]
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/m]
_cell_length_a [5.0138]
_cell_length_b [14.3474]
_cell_length_c [5.0644]
_c... |
mp-12450 | LiNd2OsO6 | data_[Li2Nd4Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4763]
_cell_length_b [5.... |
mp-1078671 | Sr2CaWO6 | data_[Sr4Ca2W2O12]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.8345]
_cell_length_b [5.8345... |
mp-755586 | NaLaO2 | data_[Na4La4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.8249]
_cell_length_b [4.8249]
_cell_length_c [11.3922]
... |
mp-1221662 | MnAl2Cr3 | data_[Mn1Al2Cr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9168]
_cell_length_b [2.9168]
_cell_length_c [8.7144]
_ce... |
mp-867422 | AcPbAu2 | data_[Ac4Pb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5278]
_cell_length_b [7.5278]
_cell_length_c [7.5278]
_c... |
mp-774 | CaNi5 | data_[Ca1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9090]
_cell_length_b [4.9090]
_cell_length_c [3.9332]
_cell_angle_alpha [90.0000]
_cell... |
mp-1174153 | Li5Co3O8 | data_[Li5Co3O8]
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 [P-1]
_cell_length_a [5.0306]
_cell_length_b [5.7499]
_cell_length_c [5.7896]
_cell_... |
mp-559143 | Pb3SO6 | data_[Pb6S2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8918]
_cell_length_b [7.4362]
_cell_length_c [8.3253]
_cell_a... |
mp-685138 | U2AsSe | data_[U8As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9228]
_cell_length_b [5.7800]
_cell_length_c [5.7752]
_cel... |
mp-1078668 | NiPbO3 | data_[Ni6Pb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.4475]
_cell_length_b [5.4475]
_cell_length_c [14.3797]
_cel... |
mp-1078834 | LiRuF6 | data_[Li3Ru3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1210]
_cell_length_b [5.1210]
_cell_length_c [13.7923]
_cel... |
mp-1012551 | BaBrCl | data_[Ba4Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3226]
_cell_length_b [4.8928]
_cell_length_c [9.6378]
_ce... |
mp-12083 | CrIr3 | data_[Cr1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8253]
_cell_length_b [3.8253]
_cell_length_c [3.8253]
_cell_angle_alpha [90.0000]
_cell_... |
mp-510438 | InPt | data_[In10Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3948]
_cell_length_b [4.4813]
_cell_length_c [7.7410]
_cell_angle_alpha [90.0000]
_cel... |
mp-23288 | AlBr3 | data_[Al4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9079]
_cell_length_b [7.5821]
_cell_length_c [11.2568]
_cell_angle_alpha [90.0000]
_ce... |
mp-755974 | Na2CuO2 | data_[Na4Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0022]
_cell_length_b [4.5269]
_cell_length_c [9.9596]
_cell... |
mp-1640785 | CaLaCrNiO6 | data_[Ca2La2Cr2Ni2O12]
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
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-865014 | Mg2Cu | data_[Mg8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.2851]
_cell_length_b [6.7045]
_cell_length_c [5.2400]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1226518 | CeNdAl4 | data_[Ce4Nd4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9698]
_cell_length_b [7.9698]
_cell_length_c [7.9698]
_... |
mp-1185324 | LiDy2In | data_[Li4Dy8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4563]
_cell_length_b [7.4563]
_cell_length_c [7.4563]
_c... |
mp-1222011 | MgCdTe2 | data_[Mg1Cd1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6507]
_cell_length_b [4.6507]
_cell_length_c [6.5572]
_c... |
mp-1207525 | YbNiAs | data_[Yb4Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0051]
_cell_length_b [4.0051]
_cell_length_c [16.1900... |
mp-999088 | ThCoC2 | data_[Th2Co2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8246]
_cell_length_b [4.5601]
_cell_length_c [6.0753]
_cell... |
mp-556308 | CrHg(PbO3)2 | data_[Cr2Hg2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5937]
_cell_length_b [7.345... |
mp-1184955 | Li2TlCd | data_[Li8Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7964]
_cell_length_b [6.7964]
_cell_length_c [6.7964]
_c... |
mp-1215403 | ZnHgTe2 | data_[Zn1Hg1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5406]
_cell_length_b [4.5406]
_cell_length_c [6.4251]
_c... |
mp-1183584 | CaPrRh2 | data_[Ca4Pr4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0052]
_cell_length_b [7.0052]
_cell_length_c [7.0052]
_c... |
mp-556320 | Cs2NaFeF6 | data_[Cs8Na4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8782]
_cell_length_b [8.8... |
mp-867910 | LaAgAu2 | data_[La4Ag4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1817]
_cell_length_b [7.1817]
_cell_length_c [7.1817]
_c... |
mp-864978 | Mg2AgAu | data_[Mg8Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6304]
_cell_length_b [6.6304]
_cell_length_c [6.6304]
_c... |
mp-31221 | ThMn12 | data_[Th2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3869]
_cell_length_b [8.3869]
_cell_length_c [4.7163]
_cell_angle_alpha [90.0000]
_cel... |
mp-7064 | Er2Si2O7 | data_[Er4Si4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8580]
_cell_length_b [8.9977]
_cell_length_c [4.7744]
_cel... |
mp-1213768 | CeSi2Rh3 | data_[Ce4Si8Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1611]
_cell_length_b [9.6883]
_cell_length_c [5.6225]
_c... |
mp-1188514 | Th2C3 | data_[Th16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.5617]
_cell_length_b [8.5617]
_cell_length_c [8.5617]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1188062 | Zr3Sc | data_[Zr6Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4959]
_cell_length_b [6.4959]
_cell_length_c [5.1663]
_cell_angle_alpha [90.0000]
_ce... |
mp-13932 | Ba2DyReO6 | data_[Ba8Dy4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4742]
_cell_length_b [8.4... |
mp-13630 | Rb3NaBe2F8 | data_[Rb3Na1Be2F8]
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
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8436]
_cell_length_b [5.84... |
mp-1214698 | Ba2CaBiO6 | data_[Ba8Ca4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
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 [8.7736]
_cell_length_b [8.7... |
mp-1205813 | Gd2MgSi2 | data_[Gd4Mg2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [7.2318]
_cell_length_b [7.2318]
_cell_length_c [4.2481]
_... |
mp-1078635 | ScGeOs | data_[Sc3Ge3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0110]
_cell_length_b [7.0110]
_cell_length_c [3.4669]
_c... |
mp-1185399 | LiPm2Sn | data_[Li4Pm8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5842]
_cell_length_b [7.5842]
_cell_length_c [7.5842]
_c... |
mp-1101887 | Y3(CuSi)4 | data_[Y6Cu8Si8]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1455]
_cell_length_b [6.5491]
_cell_length_c [13.7055]
_cel... |
mp-1205953 | HoBiRh | data_[Ho3Bi3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6781]
_cell_length_b [7.6781]
_cell_length_c [3.9742]
_c... |
mp-7283 | LaB4 | data_[La4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3107]
_cell_length_b [7.3107]
_cell_length_c [4.1827]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22428 | SrCeO3 | data_[Sr4Ce4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2057]
_cell_length_b [8.6678]
_cell_length_c [6.0490]
_cel... |
mp-22575 | Sc3As2 | data_[Sc12As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4553]
_cell_length_b [3.8442]
_cell_length_c [10.3322]
_cell_angle_alpha [90.0000]
_cel... |
mp-8277 | Sr(CdP)2 | data_[Sr1Cd2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3889]
_cell_length_b [4.3889]
_cell_length_c [7.3316]
_cel... |
mp-1215811 | Zr3AlCo8 | data_[Zr9Al3Co24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8516]
_cell_length_b [4.8516]
_cell_length_c [23.8021]
_c... |
mp-1104248 | CdH6C2I2(NO)2 | data_[Cd1H6C2I2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_... |
mp-23225 | BBr3 | data_[B2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.0001]
_cell_length_b [7.0001]
_cell_length_c [8.2436]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1086669 | NiP2W | data_[Ni2P4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3483]
_cell_length_b [3.3483]
_cell_length_c [11.2516]
_c... |
mp-867904 | AlGeRu2 | data_[Al4Ge4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0260]
_cell_length_b [6.0260]
_cell_length_c [6.0260]
_c... |
mp-18793 | LiCrO2 | data_[Li3Cr3O6]
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 [R-3m]
_cell_length_a [2.9502]
_cell_length_b [2.9502]
_cell_length_c [14.6353]
_cel... |
mp-1218498 | Sr4CePrO8 | data_[Sr4Ce1Pr1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2055]
_cell_length_b [3.669... |
mp-1209993 | Nb3Co5B2 | data_[Nb6Co10B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4483]
_cell_length_b [8.4483]
_cell_length_c [3.2418]
_c... |
mp-7928 | K2PtS2 | data_[K4Pt2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6568]
_cell_length_b [7.1518]
_cell_length_c [9.5724]
_cell_a... |
mp-1217022 | TiAlAu2 | data_[Ti1Al1Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0896]
_cell_length_b [3.0896]
_cell_length_c [7.0869]
_... |
mp-753676 | Ta2TiO6 | data_[Ta8Ti4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1447]
_cell_length_b [6.8477]
_cell_length_c [7.4716]
_cel... |
mp-1103747 | BaGe6 | data_[Ba4Ge24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8665]
_cell_length_b [10.9298]
_cell_length_c [12.4805]
_cell_angle_alpha [90.0000]
_cel... |
mp-10622 | PrAs | data_[Pr4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0940]
_cell_length_b [6.0940]
_cell_length_c [6.0940]
_cell_angle_alpha [90.0000]
_cell_... |
mp-755455 | CuTeO4 | data_[Cu1Te1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3558]
_cell_length_b [3.0062]
_cell_length_c [5.6385]
_cell... |
mp-1922 | RuSe2 | data_[Ru4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.0085]
_cell_length_b [6.0085]
_cell_length_c [6.0085]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-5767 | DyPO4 | data_[Dy4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.9649]
_cell_length_b [6.9649]
_cell_length_c [6.0611]
_c... |
mp-1226622 | CeGaAg | data_[Ce4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5198]
_cell_length_b [4.6745]
_cell_length_c [7.3217]
_c... |
mp-1101 | TmAs | data_[Tm4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7509]
_cell_length_b [5.7509]
_cell_length_c [5.7509]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105838 | Nd5Bi3 | data_[Nd10Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5394]
_cell_length_b [9.5394]
_cell_length_c [6.5818]
_cell_angle_alpha [90.0000]
_c... |
mp-1111638 | K2NaMnF6 | data_[K8Na4Mn4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4455]
_cell_length_b [8.445... |
mp-752617 | LiFe(SiO3)2 | data_[Li2Fe2Si4O12]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.3721]
_cell_length_b [9.32... |
mp-569333 | Li2AgBi | data_[Li8Ag4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8577]
_cell_length_b [6.8577]
_cell_length_c [6.8577]
_c... |
mp-1222181 | Mn12Pt4N | data_[Mn12Pt4N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1978]
_cell_length_b [5.2637]
_cell_length_c [9.3067]
_cel... |
mvc-11272 | Mg(MnS2)4 | data_[Mg3Mn12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9310]
_cell_length_b [6.9310]
_cell_length_c [17.1497]
_c... |
mp-1077251 | Er2SiRh3 | data_[Er6Si3Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5704]
_cell_length_b [5.5704]
_cell_length_c [11.5584]
_c... |
mp-1105327 | Cr5Si3C | data_[Cr10Si6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [6.9309]
_cell_length_b [6.9309]
_cell_length_c [4.8184]
... |
mp-760679 | Cu3OF5 | data_[Cu6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5336]
_cell_length_b [5.8794]
_cell_length_c [6.9785]
_cell_an... |
mp-977405 | LiLu2Rh | data_[Li4Lu8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8407]
_cell_length_b [6.8407]
_cell_length_c [6.8407]
_c... |
mp-23324 | BiSBr | data_[Bi4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4676]
_cell_length_b [4.0887]
_cell_length_c [10.5774]
_cel... |
mp-20711 | Fe3Ge | data_[Fe12Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7481]
_cell_length_b [5.7481]
_cell_length_c [5.7481]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218920 | SnSb | data_[Sn1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0750]
_cell_length_b [3.0750]
_cell_length_c [6.2592]
_cell_angle_alpha [90.0000]
_cell... |
mp-1220424 | Nb6SnSe8 | data_[Nb6Sn1Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.1117]
_cell_length_b [10.1117]
_cell_length_c [3.4989]
_c... |
mp-1071230 | Zr2Sb3Pd | data_[Zr2Sb3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9613]
_cell_length_b [3.9613]
_cell_length_c [8.7389]
_c... |
mp-1228611 | Al2PbSe4 | data_[Al4Pb2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2902]
_cell_length_b [11.0446]
_cell_length_c [6.3236]
_cel... |
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