Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1106031 | NaMn3V4O12 | data_[Na2Mn6V8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4857]
_cell_length_b [7.4857... |
mp-580236 | EuCd | data_[Eu1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9836]
_cell_length_b [3.9836]
_cell_length_c [3.9836]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1025354 | Er2Fe2Si2C | data_[Er4Fe4Si4C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5035]
_cell_length_b [3.90... |
mp-1206924 | Ba(ZnGe)2 | data_[Ba2Zn4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5796]
_cell_length_b [4.5796]
_cell_length_c [10.6989]
... |
mp-1188789 | Tb4Ga12Fe | data_[Tb8Ga24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6154]
_cell_length_b [8.6154]
_cell_length_c [8.6154]
_... |
mp-754703 | Mn6O11F | data_[Mn12O22F2]
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 [C2]
_cell_length_a [8.6722]
_cell_length_b [6.4318]
_cell_length_c [6.9780]
_cell_a... |
mp-760339 | Li2VF4 | data_[Li4V2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1726]
_cell_length_b [4.1726]
_cell_length_c [8.9994]
_cell... |
mp-1225698 | Cu3Ni | data_[Cu6Ni2]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.8154]
_cell_length_b [4.0367]
_cell_length_c [8.0945]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1095559 | YbNi3 | data_[Yb9Ni27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8745]
_cell_length_b [4.8745]
_cell_length_c [24.0015]
_cell_angle_alpha [90.0000]
_cell... |
mp-1077267 | ErSi2 | data_[Er4Si8]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.9358]
_cell_length_b [3.9358]
_cell_length_c [14.7191]
_cell_angle_alpha [90.0000]
_c... |
mp-9927 | MgRhF6 | data_[Mg3Rh3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1656]
_cell_length_b [5.1656]
_cell_length_c [13.6986]
_cel... |
mp-1102847 | Tm5S7 | data_[Tm10S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6263]
_cell_length_b [3.7444]
_cell_length_c [11.4688]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187001 | Sm2TlIn | data_[Sm8Tl4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7085]
_cell_length_b [7.7085]
_cell_length_c [7.7085]
_c... |
mp-1226887 | CeAlCu4 | data_[Ce2Al2Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2085]
_cell_length_b [8.8254]
_cell_length_c [4.1826]
_ce... |
mp-19821 | Cr2GeC | data_[Cr4Ge2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9405]
_cell_length_b [2.9405]
_cell_length_c [12.0294]
... |
mp-6568 | BaCa(CO3)2 | data_[Ba2Ca2C4O12]
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
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6342]
_cell_length_b [5.30... |
mp-568832 | Y(PRu)2 | data_[Y2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0592]
_cell_length_b [4.0592]
_cell_length_c [9.6067]
_cell... |
mp-999127 | NaTbSe2 | data_[Na3Tb3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1708]
_cell_length_b [4.1708]
_cell_length_c [20.9856]
_c... |
mp-1114681 | Rb2TlAsF6 | data_[Rb8Tl4As4F24]
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
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4396]
_cell_length_b [9.4... |
mp-861483 | Pr2IrPd | data_[Pr8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2164]
_cell_length_b [7.2164]
_cell_length_c [7.2164]
_c... |
mp-755004 | CsInO2 | data_[Cs2In2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4728]
_cell_length_b [3.4728]
_cell_length_c [13.4790]
... |
mp-5479 | RbAlF4 | data_[Rb1Al1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7138]
_cell_length_b [3.7138]
_cell_length_c [6.3994]
_ce... |
mp-863708 | KPuO3 | data_[K1Pu1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2821]
_cell_length_b [4.2821]
_cell_length_c [4.2821]
_cell_... |
mp-1216618 | Tm5S7 | data_[Tm10S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6433]
_cell_length_b [3.7584]
_cell_length_c [11.4785]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-980044 | YbPrCd2 | data_[Yb4Pr4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6944]
_cell_length_b [7.6944]
_cell_length_c [7.6944]
_c... |
mp-1176501 | LuBiO3 | data_[Lu6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.9238]
_cell_length_b [5.9238]
_cell_length_c [14.9547]
_cel... |
mp-1183387 | BaEu3 | data_[Ba2Eu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7417]
_cell_length_b [5.7417]
_cell_length_c [11.8956]
_cell_angle_alpha [90.0000]
_cel... |
mp-1214156 | Ca2FeP2(H2O5)2 | data_[Ca2Fe1P2H4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5... |
mp-1293586 | BaYMnCoO5 | data_[Ba2Y2Mn2Co2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [... |
mp-1101926 | EuAs | data_[Eu6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0002]
_cell_length_b [8.0002]
_cell_length_c [6.2090]
_cell_angle_alpha [90.0000]
_cell_... |
mp-545512 | CaO | data_[Ca2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0075]
_cell_length_b [4.0075]
_cell_length_c [4.8177]
_cell_angle_alpha [90.0000]
_cell... |
mp-755058 | Ni2PO5 | data_[Ni8P4O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.3691]
_cell_length_b [5.3691]
_cell_length_c [12.0443]
_... |
mvc-11037 | CaMn4O8 | data_[Ca3Mn12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9906]
_cell_length_b [5.9906]
_cell_length_c [16.8925]
_c... |
mp-571217 | La3SiPd5 | data_[La12Si4Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5532]
_cell_length_b [13.2413]
_cell_length_c [7.7071]
... |
mp-1094616 | MgGa2 | data_[Mg4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2277]
_cell_length_b [14.5756]
_cell_length_c [4.8932]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20582 | LaIn | data_[La1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9618]
_cell_length_b [3.9618]
_cell_length_c [3.9618]
_cell_angle_alpha [90.0000]
_cell_... |
mp-976425 | Nd2Mg | data_[Nd8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8299]
_cell_length_b [17.5614]
_cell_length_c [5.6452]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094850 | MgGa | data_[Mg1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1387]
_cell_length_b [3.1387]
_cell_length_c [4.6878]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1068387 | LaGe3Ru | data_[La2Ge6Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4540]
_cell_length_b [4.4540]
_cell_length_c [10.1984]
_c... |
mp-756146 | Mg(AgO2)2 | data_[Mg4Ag8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8919]
_cell_length_b [5.8919]
_cell_length_c [11.8117]... |
mp-1220617 | Nd2In3Cu | data_[Nd2In3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8160]
_cell_length_b [4.8273]
_cell_length_c [8.3962]
_ce... |
mp-3651 | Nd(SiRh)2 | data_[Nd2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1127]
_cell_length_b [4.1127]
_cell_length_c [10.1910]
... |
mp-1206504 | CeGaSi | data_[Ce4Ga4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.2100]
_cell_length_b [4.2100]
_cell_length_c [14.3461]
... |
mp-17728 | Ta3Ge | data_[Ta24Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.4068]
_cell_length_b [10.4068]
_cell_length_c [5.1977]
_cell_angle_alpha [90.0000]
_cell... |
mp-1261047 | AlSbO3 | data_[Al4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.1181]
_cell_length_b [11.5303]
_cell_length_c [5.5032]
_ce... |
mp-1225981 | La2Al7Ni | data_[La8Al28Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.1394]
_cell_length_b [6.1394]
_cell_length_c [21.4579]... |
mp-28264 | RbH3O2 | data_[Rb4H12O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2278]
_cell_length_b [11.3918]
_cell_length_c [6.0247]
_ce... |
mp-1039317 | Ca2Mg | data_[Ca8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7387]
_cell_length_b [18.8993]
_cell_length_c [5.9168]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2481 | Mg2Cu | data_[Mg32Cu16]
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 [Fddd]
_cell_length_a [5.2432]
_cell_length_b [9.0474]
_cell_length_c [18.3158]
_cell_angle_alpha [90.0000]
_cel... |
mp-1209061 | Sc4Ge6Ir7 | data_[Sc8Ge12Ir14]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.2098]
_cell_length_b [8.2098]
_cell_length_c [8.2098]
... |
mp-1207914 | USnI6 | data_[U2Sn2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.6822]
_cell_length_b [7.6822]
_cell_length_c [14.2216]
_cel... |
mp-19184 | VO | data_[V4O4]
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 [Fm-3m]
_cell_length_a [4.4067]
_cell_length_b [4.4067]
_cell_length_c [4.4067]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1080168 | MoW(SeS)2 | data_[Mo2W2Se4S4]
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 [3.2558]
_cell_length_b [3.2558]... |
mp-1225715 | DyTiFe11C | data_[Dy2Ti2Fe22C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8540]
_cell_length_b [8.57... |
mp-1218563 | Sr4IBrN2 | data_[Sr12I3Br3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9963]
_cell_length_b [3.9963... |
mp-1227156 | CaTbMn2O6 | data_[Ca2Tb2Mn4O12]
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 [Pmn2_1]
_cell_length_a [7.5855]
_cell_length_b [5.... |
mp-27688 | K2TeI6 | data_[K4Te2I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2095]
_cell_length_b [8.5023]
_cell_length_c [14.2736]
_ce... |
mp-754966 | Li2MnF6 | data_[Li4Mn2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6674]
_cell_length_b [4.6674]
_cell_length_c [8.9242]
... |
mp-865665 | TiReTc2 | data_[Ti4Re4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2032]
_cell_length_b [6.2032]
_cell_length_c [6.2032]
_c... |
mp-1104363 | K3ScV2O8 | data_[K3Sc1V2O8]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8339]
_cell_length_b [5.8339]
... |
mp-976802 | KF2 | data_[K2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.0523]
_cell_length_b [5.0523]
_cell_length_c [5.0547]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1188015 | ZrSbRu2 | data_[Zr4Sb4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5120]
_cell_length_b [6.5120]
_cell_length_c [6.5120]
_c... |
mp-1184080 | DyTmAg2 | data_[Dy4Tm4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2418]
_cell_length_b [7.2418]
_cell_length_c [7.2418]
_c... |
mp-1113488 | Rb2MnHgF6 | data_[Rb8Mn4Hg4F24]
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
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9114]
_cell_length_b [8.9... |
mvc-14703 | CaAgF5 | data_[Ca2Ag2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7515]
_cell_length_b [5.8175]
_cell_length_c [8.1208]
_cell... |
mp-1188802 | CuAgF3 | data_[Cu4Ag4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6456]
_cell_length_b [5.6619]
_cell_length_c [8.0396]
_cell... |
mp-862321 | LiAsPd2 | data_[Li4As4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1607]
_cell_length_b [6.1607]
_cell_length_c [6.1607]
_c... |
mp-1077397 | ScCdNi4 | data_[Sc4Cd4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9096]
_cell_length_b [6.9096]
_cell_length_c [6.9096]
_... |
mp-762236 | Al3CrO6 | data_[Al6Cr2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.2439]
_cell_length_b [4.8769]
_cell_length_c [7.1808]
_cell_... |
mp-1206828 | Eu2YTaO6 | data_[Eu8Y4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4271]
_cell_length_b [8.427... |
mp-21453 | PrSnPt | data_[Pr4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5414]
_cell_length_b [4.6600]
_cell_length_c [8.1574]
_ce... |
mp-1207982 | Tm3Si3Ni | data_[Tm12Si12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2193]
_cell_length_b [4.1342]
_cell_length_c [13.3483]... |
mp-559242 | KNaMnO2 | data_[K8Na8Mn8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.4520]
_cell_length_b [9.8123... |
mp-1102080 | ScSiPd | data_[Sc4Si4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5928]
_cell_length_b [4.0982]
_cell_length_c [7.4808]
_ce... |
mp-1224995 | Fe5Sb4 | data_[Fe10Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1140]
_cell_length_b [10.1687]
_cell_length_c [7.1671]
_cell_angle_alpha [90.0000]
_cell... |
mp-777386 | V3(O2F)2 | data_[V6O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6139]
_cell_length_b [4.6139]
_cell_length_c [9.0481]
_cell... |
mp-619032 | PbCN2 | data_[Pb4C4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6010]
_cell_length_b [12.1064]
_cell_length_c [3.9048]
_cel... |
mp-1208406 | Ta2N3 | data_[Ta8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2392]
_cell_length_b [3.0005]
_cell_length_c [8.2005]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-28222 | Rb3Sb2Br9 | data_[Rb3Sb2Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.0506]
_cell_length_b [8.0506]
_cell_length_c [9.7762]
_c... |
mp-1207129 | Nd2Ni2Sn | data_[Nd4Ni4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3451]
_cell_length_b [5.8329]
_cell_length_c [8.4939]
_ce... |
mp-568942 | Lu5NiPb3 | data_[Lu10Ni2Pb6]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9992]
_cell_length_b [8.9992]
_cell_length_c [6.5645... |
mp-7568 | ThSb2 | data_[Th2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4148]
_cell_length_b [4.4148]
_cell_length_c [9.1840]
_cell_angle_alpha [90.0000]
_cell... |
mp-754483 | Na3(CuO2)2 | data_[Na6Cu4O8]
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 [C2/m]
_cell_length_a [10.8713]
_cell_length_b [2.8897]
_cell_length_c [8.1669]
_cel... |
mp-1212366 | Ho(ZnP)3 | data_[Ho2Zn6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9833]
_cell_length_b [3.9833]
_cell_length_c [19.7612]
... |
mp-753876 | LiCo(SiO3)2 | data_[Li4Co4Si8O24]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7534]
_cell_length_b [8.70... |
mp-975799 | LiZn3 | data_[Li2Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5250]
_cell_length_b [5.5250]
_cell_length_c [4.4351]
_cell_angle_alpha [90.0000]
_ce... |
mp-27125 | Na6MnCl8 | data_[Na24Mn4Cl32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3276]
_cell_length_b [11.3276]
_cell_length_c [11.327... |
mp-3813 | Ba2ZrS4 | data_[Ba4Zr2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0109]
_cell_length_b [5.0109]
_cell_length_c [15.8899]
_c... |
mp-1104641 | Eu4Bi3 | data_[Eu16Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.9692]
_cell_length_b [9.9692]
_cell_length_c [9.9692]
_cell_angle_alpha [90.0000]
_cel... |
mp-505025 | BaPuO3 | data_[Ba4Pu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2022]
_cell_length_b [8.7619]
_cell_length_c [6.2390]
_cel... |
mp-756009 | NaCu3O4 | data_[Na2Cu6O8]
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 [Pm-3n]
_cell_length_a [5.4813]
_cell_length_b [5.4813]
_cell_length_c [5.4813]
_cel... |
mp-674490 | FeSbO4 | data_[Fe2Sb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cmmm]
_cell_length_a [6.5302]
_cell_length_b [6.7839]
_cell_length_c [3.1228]
_cell... |
mp-754146 | Rb3YO3 | data_[Rb12Y4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7803]
_cell_length_b [12.4958]
_cell_length_c [7.3033]
_cel... |
mp-20822 | TbMnSi | data_[Tb2Mn2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9309]
_cell_length_b [3.9309]
_cell_length_c [7.1823]
_... |
mp-1016197 | MgSiAs2 | data_[Mg4Si4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9512]
_cell_length_b [5.9512]
_cell_length_c [10.8901]
_... |
mp-1295610 | Zn2CoWO6 | data_[Zn2Co1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2122]
_cell_length_b [5.2576]
_... |
mp-1227085 | CaYb3(InGe2)2 | data_[Ca2Yb6In4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4986]
_cell_length_b [10.... |
mp-755015 | NaLaO2 | data_[Na8La8O16]
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 [C2/c]
_cell_length_a [6.9569]
_cell_length_b [14.0938]
_cell_length_c [6.4432]
_ce... |
mp-772040 | SbH(OF3)2 | data_[Sb2H2O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1741]
_cell_length_b [7.3015]
_... |
mp-1223682 | InSn2Te3 | data_[In1Sn2Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4687]
_cell_length_b [4.4687]
_cell_length_c [11.1402]
_... |
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