Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1217485 | TbMnAl | data_[Tb4Mn4Al4]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4944]
_cell_length_b [5.5835]
_cell_length_c [7.6001]
_ce... |
mp-20489 | SrPbO3 | data_[Sr4Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1096]
_cell_length_b [8.4699]
_cell_length_c [5.9493]
_cel... |
mp-1215718 | YUPd6 | data_[Y1U1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1292]
_cell_length_b [4.1292]
_cell_length_c [8.2775]
_cell... |
mp-21178 | U2Co3Si5 | data_[U8Co12Si20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.6004]
_cell_length_b [11.0429]
_cell_length_c [5.5755]
_c... |
mp-1222551 | Li3NdGa8 | data_[Li3Nd1Ga8]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3426]
_cell_length_b [4.3426]
_cell_length_c [13.7714]
... |
mp-1102925 | NbFeSi | data_[Nb4Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6051]
_cell_length_b [9.1977]
_cell_length_c [4.9540]
_ce... |
mp-8768 | K2CoSe2 | data_[K8Co4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0374]
_cell_length_b [13.2752]
_cell_length_c [6.2348]
_cel... |
mp-1245896 | NaFeN | data_[Na2Fe2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.0074]
_cell_length_b [3.0074]
_cell_length_c [9.8716]
_ce... |
mp-849223 | LiNb(TeO4)3 | data_[Li1Nb1Te3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.9685]
_cell_length_b [8.6761... |
mp-1226503 | CeSmB12 | data_[Ce1Sm1B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8218]
_cell_length_b [5.8218]
_cell_length_c [4.1174]
_c... |
mp-22668 | YCoO3 | data_[Y4Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6753]
_cell_length_b [7.4778]
_cell_length_c [5.2966]
_cell_... |
mp-1185505 | LuMnRh2 | data_[Lu4Mn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4055]
_cell_length_b [6.4055]
_cell_length_c [6.4055]
_c... |
mp-1222659 | Li2GaAg | data_[Li8Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3115]
_cell_length_b [6.3115]
_cell_length_c [6.3115]
_c... |
mp-571011 | CsI4 | data_[Cs4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7112]
_cell_length_b [9.0892]
_cell_length_c [11.7206]
_cell_angle_alpha [90.0000]
_cel... |
mp-1079855 | LiPd7 | data_[Li4Pd28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8471]
_cell_length_b [7.8471]
_cell_length_c [7.8471]
_cell_angle_alpha [90.0000]
_cell... |
mp-754117 | YHO2 | data_[Y2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.5171]
_cell_length_b [4.8645]
_cell_length_c [5.5098]
_cell_a... |
mp-1226968 | CaZrV2O8 | data_[Ca2Zr2V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.1149]
_cell_length_b [7.114... |
mp-755488 | SrTaNO2 | data_[Sr4Ta4N4O8]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7745]
_cell_length_b [8.0674]... |
mp-1220695 | Nb2CuTe4 | data_[Nb2Cu1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7681]
_cell_length_b [3.6838]
_cell_length_c [7.3433]
_cell... |
mp-510536 | MoO2 | data_[Mo2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8044]
_cell_length_b [4.8044]
_cell_length_c [3.1725]
_cell_angle_alpha [90.0000]
_cell... |
mp-1025356 | ZnAsPt5 | data_[Zn1As1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9707]
_cell_length_b [3.9707]
_cell_length_c [7.1659]
_... |
mp-867304 | BeVFe2 | data_[Be4V4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5077]
_cell_length_b [5.5077]
_cell_length_c [5.5077]
_cel... |
mp-15998 | RbV(CuS2)2 | data_[Rb4V4Cu8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [7.4898]
_cell_length_b [18.554... |
mp-11905 | LiNd2IrO6 | data_[Li2Nd4Ir2O12]
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
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4515]
_cell_length_b [5.... |
mp-1186047 | Na3In | data_[Na12In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8089]
_cell_length_b [7.8089]
_cell_length_c [7.8089]
_cell_angle_alpha [90.0000]
_cell... |
mp-989530 | SrTcN3 | data_[Sr4Tc4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5471]
_cell_length_b [3.7728]
_cell_length_c [6.7089]
_ce... |
mp-19328 | NaWO3 | data_[Na1W1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9696]
_cell_length_b [3.9696]
_cell_length_c [3.9696]
_cell_... |
mp-754106 | Mn2PO5 | data_[Mn8P4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5731]
_cell_length_b [5.5731]
_cell_length_c [12.3402]
_... |
mp-1103658 | LaS2 | data_[La4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2215]
_cell_length_b [4.1417]
_cell_length_c [8.2022]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1274653 | La2MgCoO6 | data_[La6Mg3Co3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6125]
_cell_length_b [5.612... |
mp-866213 | TiTc2Mo | data_[Ti4Tc8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2324]
_cell_length_b [6.2324]
_cell_length_c [6.2324]
_c... |
mp-1194 | CdPt | data_[Cd1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0085]
_cell_length_b [3.0085]
_cell_length_c [3.8976]
_cell_angle_alpha [90.0000]
_cell... |
mp-867923 | ScGaPt2 | data_[Sc4Ga4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4211]
_cell_length_b [6.4211]
_cell_length_c [6.4211]
_c... |
mp-1077383 | CsAuS | data_[Cs4Au4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1331]
_cell_length_b [8.6661]
_cell_length_c [7.0051]
_cell... |
mp-865147 | Be2CuRu | data_[Be8Cu4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4599]
_cell_length_b [5.4599]
_cell_length_c [5.4599]
_c... |
mp-1221050 | NaFe2Mo2H3O10 | data_[Na2Fe4Mo4H6O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [... |
mp-1186561 | PmCd3 | data_[Pm2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7587]
_cell_length_b [6.7587]
_cell_length_c [5.0526]
_cell_angle_alpha [90.0000]
_ce... |
mp-753314 | Eu2SeO2 | data_[Eu4Se2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9487]
_cell_length_b [3.9487]
_cell_length_c [12.6484]
_c... |
mp-1205505 | ErSiRu2C | data_[Er4Si4Ru8C4]
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
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7772]
_cell_length_b [11.15... |
mp-1183281 | Ba2CdIn | data_[Ba8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5322]
_cell_length_b [8.5322]
_cell_length_c [8.5322]
_c... |
mp-1189771 | Tb7MnBr12 | data_[Tb21Mn3Br36]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.8537]
_cell_length_b [14.8537]
_cell_length_c [10.4005]... |
mp-8132 | Li(TiSe2)3 | data_[Li1Ti3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5771]
_cell_length_b [3.5771]
_cell_length_c [22.6109]
_... |
mp-2444 | GaRh | data_[Ga1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0428]
_cell_length_b [3.0428]
_cell_length_c [3.0428]
_cell_angle_alpha [90.0000]
_cell_... |
mp-574244 | Ce(PRu)2 | data_[Ce2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [4.0757]
_cell_length_b [4.0757]
_cell_length_c [9.7881]
_ce... |
mp-1102095 | Lu3(CuSi)4 | data_[Lu6Cu8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0724]
_cell_length_b [6.4654]
_cell_length_c [13.4496]
_c... |
mp-1229093 | Ag2Hg | data_[Ag2Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0915]
_cell_length_b [3.0915]
_cell_length_c [7.2440]
_cell_angle_alpha [90.0000]
_cell_... |
mp-573376 | Lu2CCl2 | data_[Lu6C3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6119]
_cell_length_b [3.6119]
_cell_length_c [27.5480]
_cel... |
mp-975663 | Pr(CoB)4 | data_[Pr2Co8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.0823]
_cell_length_b [7.0823]
_cell_length_c [3.7879]
_ce... |
mp-1226600 | CeNd3C8 | data_[Ce1Nd3C8]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8466]
_cell_length_b [3.8466]
_cell_length_c [12.8567]
_c... |
mp-752676 | TiBi2O5 | data_[Ti4Bi8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cmc2_1]
_cell_length_a [15.9255]
_cell_length_b [5.6890]
_cell_length_c [5.6113]
_... |
mp-1225966 | Eu2(CuNi)5 | data_[Eu2Cu5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0049]
_cell_length_b [5.0698]
_cell_length_c [8.7940]
_ce... |
mp-759619 | Mn3O2F5 | data_[Mn12O8F20]
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 [Immm]
_cell_length_a [6.4283]
_cell_length_b [7.1403]
_cell_length_c [13.8924]
_cel... |
mp-757095 | Li2Fe(PO4)2 | data_[Li2Fe1P2O8]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.9278]
_cell_length_b [4.9278]
... |
mp-20411 | InN | data_[In4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.0541]
_cell_length_b [5.0541]
_cell_length_c [5.0541]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-31460 | NbCoSb | data_[Nb4Co4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9849]
_cell_length_b [5.9849]
_cell_length_c [5.9849]
_c... |
mp-2126 | HfIr3 | data_[Hf1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9680]
_cell_length_b [3.9680]
_cell_length_c [3.9680]
_cell_angle_alpha [90.0000]
_cell_... |
mp-573548 | La3(GaNi2)2 | data_[La6Ga4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2287]
_cell_length_b [4.2334]
_cell_length_c [8.3313]
_c... |
mp-31056 | Dy3InN | data_[Dy3In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8189]
_cell_length_b [4.8189]
_cell_length_c [4.8189]
_cel... |
mp-24285 | NpH2 | data_[Np4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2283]
_cell_length_b [5.2283]
_cell_length_c [5.2283]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1101849 | YGaPd | data_[Y4Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0068]
_cell_length_b [4.4701]
_cell_length_c [7.6812]
_cell... |
mp-1113512 | Cs3AlCl6 | data_[Cs12Al4Cl24]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2476]
_cell_length_b [11.2476]
_cell_length_c [11.247... |
mp-1078392 | YSb(PbO3)2 | data_[Y2Sb2Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1776]
_cell_length_b [5.911... |
mp-20886 | CeZnSn | data_[Ce4Zn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5963]
_cell_length_b [4.5963]
_cell_length_c [16.5158... |
mp-1094149 | NaTi2BiO6 | data_[Na2Ti4Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7956]
_cell_length_b [5.4... |
mp-763740 | LiFeSiO4 | data_[Li2Fe2Si2O8]
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 [P6_3]
_cell_length_a [5.2323]
_cell_length_b [5.232... |
mp-1224456 | HfInPt2 | data_[Hf1In1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3703]
_cell_length_b [3.3703]
_cell_length_c [6.6009]
_... |
mp-759808 | Ni3OF5 | data_[Ni6O2F10]
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 [P-1]
_cell_length_a [4.7056]
_cell_length_b [5.6338]
_cell_length_c [7.7633]
_cell_a... |
mp-1205538 | TmFe2SiC | data_[Tm4Fe8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [Cmcm]
_cell_length_a [3.6892]
_cell_length_b [10.42... |
mp-1219978 | PrGa2Co3 | data_[Pr1Ga2Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3588]
_cell_length_b [5.3588]
_cell_length_c [3.7370]
_... |
mp-1105210 | ScAlAu | data_[Sc6Al6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.2451]
_cell_length_b [7.2451]
_cell_length_c [7.4716]
_c... |
mp-19450 | ScTl(MoO4)2 | data_[Sc1Tl1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9019]
_cell_length_b [5.90... |
mp-752451 | Zn(CuO2)2 | data_[Zn4Cu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.4557]
_cell_length_b [5.4557]
_cell_length_c [9.5984]
_c... |
mp-1094201 | La2Mg | data_[La12Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.2166]
_cell_length_b [6.2166]
_cell_length_c [17.6813]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218385 | Sr3Ca(NCl)2 | data_[Sr6Ca2N4Cl4]
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
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2234]
_cell_length_b [3.8509... |
mp-1106185 | UCrSe3 | data_[U4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4146]
_cell_length_b [9.2683]
_cell_length_c [6.4055]
_cel... |
mp-505540 | TiAsRh | data_[Ti4As4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3899]
_cell_length_b [3.8523]
_cell_length_c [7.4600]
_ce... |
mp-1225412 | Dy3(Al2Fe)2 | data_[Dy6Al8Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3826]
_cell_length_b [5.3918]
_cell_length_c [13.3742]
_ce... |
mp-755947 | Li3(CrS2)4 | data_[Li9Cr12S24]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9695]
_cell_length_b [6.9695]
_cell_length_c [19.4653]
_ce... |
mp-8678 | NaAlPO4F | data_[Na4Al4P4O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [... |
mp-1102993 | 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 [7.9683]
_cell_length_b [7.9683]
_cell_length_c [6.2536]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862980 | PmAl3 | data_[Pm2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4461]
_cell_length_b [6.4461]
_cell_length_c [4.6311]
_cell_angle_alpha [90.0000]
_ce... |
mp-10155 | P2Ir | data_[P8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7954]
_cell_length_b [5.8377]
_cell_length_c [5.9007]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-768289 | Li2FeBO4 | data_[Li4Fe2B2O8]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.8188]
_cell_length_b [5.1186]
_... |
mp-1206013 | HoGe2Pd | data_[Ho4Ge8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0283]
_cell_length_b [18.4058]
_cell_length_c [4.2405]
_c... |
mp-1030319 | Te2Mo | data_[Te8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5587]
_cell_length_b [3.5587]
_cell_length_c [40.6933]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216529 | Tm2SbTe | data_[Tm6Sb3Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3347]
_cell_length_b [4.3347]
_cell_length_c [21.1354]
_c... |
mp-756098 | BaSrI4 | data_[Ba4Sr4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.3605]
_cell_length_b [23.5768]
_cell_length_c [8.3007]
_... |
mp-557713 | Ba2LaTaO6 | data_[Ba4La2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2064]
_cell_length_b [6.... |
mp-865032 | Mn2PtRh | data_[Mn8Pt4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1758]
_cell_length_b [6.1758]
_cell_length_c [6.1758]
_c... |
mp-22916 | NaBr | data_[Na4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0276]
_cell_length_b [6.0276]
_cell_length_c [6.0276]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1331 | YCd2 | data_[Y1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9685]
_cell_length_b [4.9685]
_cell_length_c [3.4947]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-22980 | Li2CoCl4 | data_[Li4Co2Cl8]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2898]
_cell_length_b [10.2934]
_cell_length_c [3.6275]
_c... |
mp-1029719 | Ca3MoN3 | data_[Ca6Mo2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.5081]
_cell_length_b [7.5081]
_cell_length_c [5.0964]
_ce... |
mp-33461 | Li3Mn3O8 | data_[Li9Mn9O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8072]
_cell_length_b [5.8072]
_cell_length_c [14.5603]
_ce... |
mp-557257 | KVF3 | data_[K1V1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2254]
_cell_length_b [4.2254]
_cell_length_c [4.2254]
_cell_an... |
mp-753589 | Li2VCrO4 | data_[Li8V4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2911]
_cell_length_b [6.002... |
mp-1025022 | HoInPt4 | data_[Ho4In4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6461]
_cell_length_b [7.6461]
_cell_length_c [7.6461]
_... |
mp-755616 | Li8WO6 | data_[Li24W3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5228]
_cell_length_b [5.5228]
_cell_length_c [15.5251]
_cell... |
mp-2271 | NaPt2 | data_[Na8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5902]
_cell_length_b [7.5902]
_cell_length_c [7.5902]
_cell_angle_alpha [90.0000]
_cell... |
mp-1176658 | LiMn2O2F3 | data_[Li4Mn8O8F12]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1303]
_cell_length_b [4.995... |
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