Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1215565 | Zn2GaCuTe4 | data_[Zn4Ga2Cu2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1382]
_cell_length_b [6.... |
mp-861969 | LiTmTl2 | data_[Li4Tm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3037]
_cell_length_b [7.3037]
_cell_length_c [7.3037]
_c... |
mp-753006 | MnOF | data_[Mn6O6F6]
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 [P2/m]
_cell_length_a [4.8125]
_cell_length_b [3.0752]
_cell_length_c [14.2624]
_cell_... |
mp-20901 | NiSe2 | data_[Ni4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [5.9359]
_cell_length_b [5.9359]
_cell_length_c [5.9359]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1543286 | MgCoF5 | data_[Mg4Co4F20]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4875]
_cell_length_b [6.1833]
_cell_length_c [7.3703]
_cel... |
mp-21412 | Ce3Tl | data_[Ce3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8412]
_cell_length_b [4.8412]
_cell_length_c [4.8412]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094593 | LiMg2 | data_[Li4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.2093]
_cell_length_b [5.5055]
_cell_length_c [5.1146]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-753424 | Li3Ti2(NiO4)2 | data_[Li6Ti4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1988]
_cell_length_b [5.8... |
mp-891 | TaNi3 | data_[Ta2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2463]
_cell_length_b [5.1084]
_cell_length_c [4.5425]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1178150 | KCu2H2(SO5)2 | data_[K2Cu4H4S4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.... |
mp-1303453 | KLi2FeO3 | data_[K4Li8Fe4O12]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.8316]
_cell_length_b [6.5546... |
mp-989540 | Sr6Sn2NO | data_[Sr24Sn8N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4360]
_cell_length_b [10.4... |
mp-571647 | La2PI2 | data_[La2P1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3360]
_cell_length_b [4.3360]
_cell_length_c [11.0604]
_cell... |
mp-1102621 | ErCoSi | data_[Er4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8578]
_cell_length_b [4.1733]
_cell_length_c [6.8530]
_ce... |
mp-1189848 | Tb5Bi3 | data_[Tb10Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2504]
_cell_length_b [9.2504]
_cell_length_c [6.3832]
_cell_angle_alpha [90.0000]
_c... |
mp-15123 | Th(AlC)4 | data_[Th2Al8C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.2475]
_cell_length_b [8.2475]
_cell_length_c [3.3425]
_cell... |
mp-1094503 | Mg2Zn | data_[Mg8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4121]
_cell_length_b [3.0940]
_cell_length_c [6.8752]
_cell_angle_alpha [90.0000]
_cell_... |
mp-971758 | ZnNi3 | data_[Zn1Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5691]
_cell_length_b [3.5691]
_cell_length_c [3.5691]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2510 | ZrHg | data_[Zr1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1689]
_cell_length_b [3.1689]
_cell_length_c [4.3132]
_cell_angle_alpha [90.0000]
_cell... |
mp-1188750 | Nd2Ir7 | data_[Nd12Ir42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3762]
_cell_length_b [5.3762]
_cell_length_c [39.5586]
_cell_angle_alpha [90.0000]
_cel... |
mp-2052 | ScAs | data_[Sc4As4]
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 [Fm-3m]
_cell_length_a [5.4896]
_cell_length_b [5.4896]
_cell_length_c [5.4896]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865960 | CoRe3 | data_[Co2Re6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4237]
_cell_length_b [5.4237]
_cell_length_c [4.3589]
_cell_angle_alpha [90.0000]
_ce... |
mp-20208 | Sm(Sn3Ru2)2 | data_[Sm2Sn12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9443]
_cell_length_b [6.9443]
_cell_length_c [9.8868]
_... |
mp-1113281 | Cs2AlInBr6 | data_[Cs8Al4In4Br24]
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
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4380]
_cell_length_b [... |
mp-1225636 | DyThRe4 | data_[Dy2Th2Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4224]
_cell_length_b [5.4224]
_cell_length_c [9.1715]
_c... |
mp-545369 | CuBiTeO | data_[Cu2Bi2Te2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0611]
_cell_length_b [4.0... |
mp-1094812 | MgCd2 | data_[Mg4Cd8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9655]
_cell_length_b [3.1853]
_cell_length_c [7.3035]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186771 | SrYb3 | data_[Sr4Yb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7809]
_cell_length_b [8.7809]
_cell_length_c [8.7809]
_cell_angle_alpha [90.0000]
_cell... |
mp-22587 | Cd(InSe2)2 | data_[Cd8In16Se32]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.5765]
_cell_length_b [11.5765]
_cell_length_c [11.576... |
mp-1187290 | SrEu3 | data_[Sr2Eu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.0441]
_cell_length_b [8.0441]
_cell_length_c [6.5569]
_cell_angle_alpha [90.0000]
_ce... |
mp-1147551 | KCuTeO6 | data_[K1Cu1Te1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1078]
_cell_length_b [5.1078]... |
mp-10302 | Ba2ScIrO6 | data_[Ba8Sc4Ir4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2356]
_cell_length_b [8.2... |
mp-1219006 | Sn7Pd5 | data_[Sn14Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.2964]
_cell_length_b [4.3838]
_cell_length_c [9.7304]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865467 | Pm2SnAu | data_[Pm8Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5773]
_cell_length_b [7.5773]
_cell_length_c [7.5773]
_c... |
mp-1188002 | Zr2TcOs | data_[Zr8Tc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5826]
_cell_length_b [6.5826]
_cell_length_c [6.5826]
_c... |
mp-1029316 | Na2ZrN2 | data_[Na2Zr1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3573]
_cell_length_b [3.3573]
_cell_length_c [8.8855]
_cel... |
mp-1227328 | Ca(BC3)2 | data_[Ca4B8C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.1672]
_cell_length_b [8.9241]
_cell_length_c [9.0484]
_cell_... |
mp-554960 | KMoPClO5 | data_[K2Mo2P2Cl2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a... |
mvc-10905 | Ca3V2(BiO6)2 | data_[Ca3V2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4992]
_cell_length_b [7.2538]
... |
mp-1211344 | KSc(SO4)2 | data_[K1Sc1S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [5.0412]
_cell_length_b [5.0412]
_... |
mp-1105746 | SmGaPd2 | data_[Sm4Ga4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5347]
_cell_length_b [7.1862]
_cell_length_c [5.6901]
_ce... |
mp-1523079 | KBaGdWO6 | data_[K4Ba4Gd4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-39033 | Sr(NdSe2)2 | data_[Sr4Nd8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.0728]
_cell_length_b [9.0728]
_cell_length_c [9.0672]
_... |
mp-1078815 | NbSe4 | data_[Nb2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [5.9708]
_cell_length_b [5.9708]
_cell_length_c [6.5262]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186416 | PaGa3 | data_[Pa2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2763]
_cell_length_b [6.2763]
_cell_length_c [4.5577]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188807 | Sr2CaReO6 | data_[Sr4Ca2Re2O12]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8366]
_cell_length_b [5.... |
mp-865845 | Yb2CuIr | data_[Yb8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7599]
_cell_length_b [6.7599]
_cell_length_c [6.7599]
_c... |
mp-1215615 | ZnCd(GaS2)4 | data_[Zn1Cd1Ga4S8]
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
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [5.5105]
_cell_length_b [5.5105... |
mp-1027473 | Mo3W(SeS)4 | data_[Mo3W1Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2570]
_cell_length_b [3.2570]... |
mp-1227625 | Ca3Tl4O9 | data_[Ca6Tl8O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2896]
_cell_length_b [3.3924]
_cell_length_c [12.4502]
_cel... |
mp-1185880 | MgHg3 | data_[Mg1Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5995]
_cell_length_b [4.5995]
_cell_length_c [4.5995]
_cell_angle_alpha [90.0000]
_cell_... |
mp-764607 | LiV(TeO4)3 | data_[Li1V1Te3O12]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.9252]
_cell_length_b [8.4219]
... |
mp-1216612 | TlIn5S8 | data_[Tl2In10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.3961]
_cell_length_b [3.9089]
_cell_length_c [9.3532]
_cel... |
mp-1479 | BP | data_[B4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.5468]
_cell_length_b [4.5468]
_cell_length_c [4.5468]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-28670 | Ba2Bi2O5 | data_[Ba4Bi4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6021]
_cell_length_b [7.5968]
_cell_length_c [6.2963]
_c... |
mp-13399 | Lu(NiGe)2 | data_[Lu2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0212]
_cell_length_b [4.0212]
_cell_length_c [9.7599]
_... |
mp-10877 | Ca(Al2Cu)4 | data_[Ca2Al16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8630]
_cell_length_b [8.8630]
_cell_length_c [5.1214]
... |
mp-1184176 | DyScS3 | data_[Dy4Sc4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0021]
_cell_length_b [9.5594]
_cell_length_c [6.3650]
_cel... |
mp-643902 | SnH4(NF)2 | data_[Sn2H8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8539]
_cell_length_b [3.3033]
... |
mp-1187901 | Yb2InPb | data_[Yb8In4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7184]
_cell_length_b [7.7184]
_cell_length_c [7.7184]
_c... |
mp-1218412 | Sr4TaFeO8 | data_[Sr8Ta2Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6438]
_cell_length_b [12.7... |
mp-19885 | InGaS3 | data_[In4Ga4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8070]
_cell_length_b [19.8021]
_cell_length_c [6.2334]
_... |
mp-1229008 | AgSbSe2 | data_[Ag1Sb1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0948]
_cell_length_b [4.0948]
_cell_length_c [5.7801]
_... |
mp-893 | ZrSi | data_[Zr4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0301]
_cell_length_b [3.8033]
_cell_length_c [5.3281]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-770412 | ScMn2O5 | data_[Sc4Mn8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9913]
_cell_length_b [9.7644]
_cell_length_c [9.8914]
_cel... |
mp-1222010 | MgTi(BiO3)2 | data_[Mg3Ti3Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6304]
_cell_length_b [5.6304... |
mp-3950 | ErInCu | data_[Er3In3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4021]
_cell_length_b [7.4021]
_cell_length_c [3.9478]
_c... |
mp-4899 | GaAgTe2 | data_[Ga4Ag4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4136]
_cell_length_b [6.4136]
_cell_length_c [12.3450]
_... |
mp-1184712 | GeAu3 | data_[Ge2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7602]
_cell_length_b [5.7602]
_cell_length_c [5.1632]
_cell_angle_alpha [90.0000]
_ce... |
mp-12837 | Er3FeSi3 | data_[Er12Fe4Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4076]
_cell_length_b [4.1318]
_cell_length_c [13.3949]... |
mp-10287 | RbMnTe2 | data_[Rb2Mn2Te4]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3936]
_cell_length_b [4.3936]
_cell_length_c [14.7691]
_... |
mp-1068398 | Eu(GeAu)2 | data_[Eu2Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5249]
_cell_length_b [4.5249]
_cell_length_c [10.4955]
... |
mp-21446 | BaPb3 | data_[Ba9Pb27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4400]
_cell_length_b [7.4400]
_cell_length_c [26.2865]
_cell_angle_alpha [90.0000]
_cell... |
mp-760432 | Cu2O3 | data_[Cu16O24]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.7278]
_cell_length_b [11.9201]
_cell_length_c [3.6087]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187798 | Y3Ho | data_[Y6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2366]
_cell_length_b [7.2366]
_cell_length_c [5.7555]
_cell_angle_alpha [90.0000]
_cell... |
mp-1220682 | NaYF4 | data_[Na1Y1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8410]
_cell_length_b [3.8410]
_cell_length_c [5.5530]
_cell... |
mp-1215365 | Zr5AlNi4 | data_[Zr10Al2Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-4n2]
_cell_length_a [7.2403]
_cell_length_b [7.2403]
_cell_length_c [6.6126]
_... |
mp-755013 | Li5TaO5 | data_[Li10Ta2O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8777]
_cell_length_b [4.0312]
_cell_length_c [5.8805]
_ce... |
mp-1220611 | Nb3V5(B2Ir)4 | data_[Nb3V5B8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.3184]
_cell_length_b [3.2168]
_... |
mp-1518460 | BaNdEuNbO6 | data_[Ba2Nd2Eu2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1112000 | Cs2ScTlCl6 | data_[Cs8Sc4Tl4Cl24]
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
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2058]
_cell_length_b [... |
mp-1205569 | Ba2UInO6 | data_[Ba8U4In4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6688]
_cell_length_b [8.668... |
mp-3338 | NaGaO2 | data_[Na4Ga4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6138]
_cell_length_b [7.2377]
_cell_length_c [5.3896]
_ce... |
mp-22341 | PrFeO3 | data_[Pr4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6972]
_cell_length_b [7.9027]
_cell_length_c [5.5383]
_cel... |
mp-28613 | LiBPt3 | data_[Li3B3Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.3362]
_cell_length_b [9.3362]
_cell_length_c [2.8059]
_cel... |
mp-37692 | Li3RuO4 | data_[Li6Ru2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1821]
_cell_length_b [5.9407]
_cell_length_c [5.1310]
_cell... |
mp-1087496 | NpCuPO | data_[Np2Cu2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
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 [P4/nmm]
_cell_length_a [3.7694]
_cell_length_b [3.769... |
mp-18014 | Th7Fe3 | data_[Th14Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.6833]
_cell_length_b [9.6833]
_cell_length_c [6.2341]
_cell_angle_alpha [90.0000]
_cel... |
mp-1206830 | Cs(CoAs)2 | data_[Cs2Co4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8295]
_cell_length_b [3.8295]
_cell_length_c [15.0190]
... |
mp-1218500 | Sr3LaMn4O12 | data_[Sr3La1Mn4O12]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.4791]
_cell_length_b [5.5151... |
mp-1091399 | O2 | data_[O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [4.2625]
_cell_length_b [4.2625]
_cell_length_c [8.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-1076534 | RbTaO3 | data_[Rb1Ta1O3]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0712]
_cell_length_b [4.0712]
_cell_length_c [4.0712]
_cel... |
mp-752971 | Li4VO4F | data_[Li8V2O8F2]
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 [P2_1]
_cell_length_a [5.1334]
_cell_length_b [9.4124]
_... |
mp-1209923 | Nd(Ga2Fe)4 | data_[Nd2Ga16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7848]
_cell_length_b [8.7848]
_cell_length_c [5.0843]
... |
mp-1206401 | LaRh3C | data_[La1Rh3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2669]
_cell_length_b [4.2669]
_cell_length_c [4.2669]
_cel... |
mp-21232 | TmInRh | data_[Tm3In3Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4921]
_cell_length_b [7.4921]
_cell_length_c [3.8910]
_c... |
mp-1226466 | CeYRh4 | data_[Ce4Y4Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5930]
_cell_length_b [7.5930]
_cell_length_c [7.5930]
_ce... |
mp-1217257 | TePtSe | data_[Te1Pt1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9585]
_cell_length_b [3.9585]
_cell_length_c [5.2954]
_ce... |
mp-28253 | LiBiO2 | data_[Li8Bi8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.3498]
_cell_length_b [18.6313]
_cell_length_c [4.7615]
_ce... |
mp-1102542 | Hf4NiP | data_[Hf8Ni2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4255]
_cell_length_b [6.4255]
_cell_length_c [5.2404]
_ce... |
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