Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-8683 | K5As2Au | data_[K10As4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8035]
_cell_length_b [5.8035]
_cell_length_c [19.5175]... |
mp-1184568 | Hf2ZnTc | data_[Hf8Zn4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5885]
_cell_length_b [6.5885]
_cell_length_c [6.5885]
_c... |
mp-24705 | SrCaB5H2ClO10 | data_[Sr1Ca1B5H2Cl1O10]
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
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_... |
mp-864646 | ErAgHg2 | data_[Er4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0761]
_cell_length_b [7.0761]
_cell_length_c [7.0761]
_c... |
mp-1215273 | ZrMoWO8 | data_[Zr1Mo1W1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.9616]
_cell_length_b [5.9616]... |
mp-764009 | Mn6O7F5 | data_[Mn6O7F5]
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 [P1]
_cell_length_a [4.7288]
_cell_length_b [5.5923]
_cell_length_c [7.7288]
_cell_ang... |
mp-675637 | Ge5(Te4As)2 | data_[Ge10Te16As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1958]
_cell_length_b [5.9476]
_cell_length_c [11.8481]... |
mp-21467 | TiCo2Sn | data_[Ti4Co8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0874]
_cell_length_b [6.0874]
_cell_length_c [6.0874]
_c... |
mp-1101356 | SrLaCl5 | data_[Sr4La4Cl20]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.5292]
_cell_length_b [19.4460]
_cell_length_c [7.0451]
_... |
mp-1076037 | Eu2Ti2O5 | data_[Eu8Ti8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.6144]
_cell_length_b [5.5705]
_cell_length_c [5.5482]
_ce... |
mp-1104457 | Eu3Au2 | data_[Eu27Au18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.3989]
_cell_length_b [9.3989]
_cell_length_c [18.1794]
_cell_angle_alpha [90.0000]
_cell... |
mp-4603 | Nd3Co13B2 | data_[Nd3Co13B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0725]
_cell_length_b [5.0725]
_cell_length_c [10.7761]
_... |
mp-1209283 | PrZrF7 | data_[Pr2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.3531]
_cell_length_b [5.8854]
_cell_length_c [8.5512]
_cel... |
mp-1225462 | ErMnFe | data_[Er4Mn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0828]
_cell_length_b [5.1288]
_cell_length_c [7.2229]
_ce... |
mp-570070 | Yb4Ge6Rh7 | data_[Yb8Ge12Rh14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3486]
_cell_length_b [8.3486]
_cell_length_c [8.3486]
... |
mp-29422 | HfCl4 | data_[Hf2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9161]
_cell_length_b [7.9432]
_cell_length_c [6.3237]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1189538 | Lu(CoB)4 | data_[Lu2Co8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [4.9785]
_cell_length_b [4.9785]
_cell_length_c [6.9214]
_... |
mp-1224106 | In3Cu(AsSe)2 | data_[In3Cu1As2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2813]
_cell_length_b [4.... |
mp-561974 | Zr7(NO2)4 | data_[Zr7N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2744]
_cell_length_b [6.2964]
_cell_length_c [6.3688]
_cell_ang... |
mp-1103824 | TmGa6 | data_[Tm2Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.0172]
_cell_length_b [6.0172]
_cell_length_c [7.5421]
_cell_angle_alpha [90.0000]
_cel... |
mp-1078304 | Ca2AlPd2 | data_[Ca8Al4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0285]
_cell_length_b [5.7817]
_cell_length_c [7.8043]
_c... |
mp-1210954 | LiSm2RuO6 | data_[Li2Sm4Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4030]
_cell_length_b [5.... |
mp-752499 | 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 [Pbam]
_cell_length_a [5.0325]
_cell_length_b [10.0230]
_cell_length_c [3.1314]
_cell_... |
mp-23188 | In2Bi | data_[In4Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5808]
_cell_length_b [5.5808]
_cell_length_c [6.6822]
_cell_angle_alpha [90.0000]
_ce... |
mp-4242 | U3(CuGe)4 | data_[U6Cu8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3451]
_cell_length_b [6.5116]
_cell_length_c [13.7822]
_cel... |
mp-1223441 | KBaLiZnF6 | data_[K4Ba4Li4Zn4F24]
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
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1207570 | YbAl2Cu3 | data_[Yb1Al2Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2824]
_cell_length_b [5.2824]
_cell_length_c [3.9990]
_... |
mp-26734 | MnP2O7 | data_[Mn2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9761]
_cell_length_b [6.6248]
_cell_length_c [8.1541]
_cell_a... |
mp-2998 | BaTiO3 | data_[Ba1Ti1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0356]
_cell_length_b [4.0356]
_cell_length_c [4.0356]
_cel... |
mp-11477 | HoSn3 | data_[Ho1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7109]
_cell_length_b [4.7109]
_cell_length_c [4.7109]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079348 | B3Os2 | data_[B6Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9420]
_cell_length_b [2.9420]
_cell_length_c [12.9256]
_cell_angle_alpha [90.0000]
_cel... |
mp-1101793 | YSeO3F | data_[Y2Se2O6F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4393]
_cell_length_b [7.1090]... |
mp-28431 | Sb(IF3)2 | data_[Sb2I4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2050]
_cell_length_b [8.2640]
_cell_length_c [8.3473]
_cell_a... |
mp-976265 | Hf2OsPd | data_[Hf8Os4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5822]
_cell_length_b [6.5822]
_cell_length_c [6.5822]
_c... |
mp-1208860 | SmAl3(BO3)4 | data_[Sm3Al9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.3904]
_cell_length_b [9.3904... |
mp-569673 | PrI2 | data_[Pr16I32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.6191]
_cell_length_b [12.6191]
_cell_length_c [12.6191]
_cell_angle_alpha [90.0000]
_ce... |
mp-1113337 | Cs2ScCuCl6 | data_[Cs8Sc4Cu4Cl24]
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
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3025]
_cell_length_b [... |
mp-1213193 | CsEr(WO4)2 | data_[Cs1Er1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Er 1.2400 1.7500 1.0300
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0868]
_cell_length_b [6.0868... |
mp-758320 | Li2CuF4 | data_[Li4Cu2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.1778]
_cell_length_b [9.1816]
_cell_length_c [5.2841]
_ce... |
mp-510075 | Cs7Au5O2 | data_[Cs14Au10O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.1600]
_cell_length_b [9.7966]
_cell_length_c [17.7783]
_c... |
mp-977453 | Ca2CdIn | data_[Ca8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7201]
_cell_length_b [7.7201]
_cell_length_c [7.7201]
_c... |
mp-559598 | LiScF4 | data_[Li4Sc4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.0576]
_cell_length_b [5.0576]
_cell_length_c [10.1799]
_... |
mp-1023495 | Mg15Bi | data_[Mg15Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4127]
_cell_length_b [6.4127]
_cell_length_c [10.5278]
_cell_angle_alpha [90.0000]
_cel... |
mp-35929 | LiMnO2 | data_[Li8Mn8O16]
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 [C2/c]
_cell_length_a [8.2481]
_cell_length_b [8.0191]
_cell_length_c [6.1174]
_cel... |
mp-1226491 | CeSi2RuRh | data_[Ce2Si4Ru2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1663]
_cell_length_b [4.... |
mp-20576 | Ge2Pt3 | data_[Ge8Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5431]
_cell_length_b [12.2572]
_cell_length_c [7.6738]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224404 | GeMoAs | data_[Ge4Mo4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3082]
_cell_length_b [3.2981]
_cell_length_c [7.7309]
_ce... |
mp-558050 | Rb2NaMnF6 | data_[Rb4Na2Mn2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0166]
_cell_length_b [6.... |
mp-1214679 | Ba2CaNbO6 | data_[Ba8Ca4Nb4O24]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6194]
_cell_length_b [8.6... |
mp-546285 | NbI3O | data_[Nb4I12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.6010]
_cell_length_b [4.0083]
_cell_length_c [13.2120]
_cell_... |
mp-1079500 | CaNiBN | data_[Ca2Ni2B2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5353]
_cell_length_b [3.535... |
mp-1219312 | ScCuSe2 | data_[Sc1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9449]
_cell_length_b [3.9449]
_cell_length_c [6.2921]
_ce... |
mp-752398 | BaCuO2 | data_[Ba1Cu1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0248]
_cell_length_b [4.0248]
_cell_length_c [3.8773]
_ce... |
mp-567600 | Sm(SiAg)2 | data_[Sm2Si4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2178]
_cell_length_b [4.2178]
_cell_length_c [10.7554]
... |
mp-545796 | Cr3O8 | data_[Cr6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0008]
_cell_length_b [5.4475]
_cell_length_c [6.8815]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-754087 | Li3Fe2(SiO4)2 | data_[Li3Fe2Si2O8]
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 [P1]
_cell_length_a [5.0322]
_cell_length_b [5.3340]... |
mp-16314 | TmSbPt | data_[Tm4Sb4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5629]
_cell_length_b [6.5629]
_cell_length_c [6.5629]
_c... |
mp-21200 | PuGa2 | data_[Pu1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.6229]
_cell_length_b [4.6229]
_cell_length_c [3.3759]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217388 | Th7S12 | data_[Th7S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [11.1488]
_cell_length_b [11.1488]
_cell_length_c [3.9913]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-555929 | Sr2MnMoO6 | data_[Sr4Mn2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7334]
_cell_length_b [5.... |
mp-1283235 | Cr2NiO4 | data_[Cr8Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3407]
_cell_length_b [5.9517]
_cell_length_c [5.9910]
_cell... |
mp-1019596 | CeZrO4 | data_[Ce2Zr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [5.3877]
_cell_length_b [5.3877]
_cell_length_c [5.3033]
_ce... |
mp-1188930 | Ce(BOs)4 | data_[Ce2B8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.5826]
_cell_length_b [7.5826]
_cell_length_c [4.0212]
_ce... |
mp-644419 | LiHS | data_[Li4H4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [6.1653]
_cell_length_b [3.9430]
_cell_length_c [7.8563]
_cell... |
mp-973451 | Nd2BiO2 | data_[Nd4Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0232]
_cell_length_b [4.0232]
_cell_length_c [14.0709]
_c... |
mp-27919 | Ti8C5 | data_[Ti24C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1387]
_cell_length_b [6.1387]
_cell_length_c [14.8899]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864798 | HfZnIr2 | data_[Hf4Zn4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3188]
_cell_length_b [6.3188]
_cell_length_c [6.3188]
_c... |
mp-504825 | SeCl | data_[Se8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5300]
_cell_length_b [15.0678]
_cell_length_c [5.2562]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226084 | CoNiSe4 | data_[Co2Ni2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8982]
_cell_length_b [5.8824]
_cell_length_c [5.8747]
_... |
mp-14088 | Rb2PdF6 | data_[Rb8Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7833]
_cell_length_b [8.7833]
_cell_length_c [8.7833]
_ce... |
mp-755067 | Cr4OF11 | data_[Cr4O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.3721]
_cell_length_b [5.1018]
_cell_length_c [7.3002]
_cell_an... |
mp-773102 | Ce4YO9 | data_[Ce8Y2O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8215]
_cell_length_b [19.5554]
_cell_length_c [5.5249]
_cell... |
mp-1220034 | PHPbO4 | data_[P2H2Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.7895]
_cell_length_b [6.6349]
_ce... |
mp-1104663 | Cs(MoSe)3 | data_[Cs2Mo6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.1005]
_cell_length_b [10.1005]
_cell_length_c [4.5373]... |
mp-28220 | HfFeCl6 | data_[Hf2Fe2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.3616]
_cell_length_b [6.3616]
_cell_length_c [12.8719]
... |
mp-978989 | Tc7B3 | data_[Tc14B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.5170]
_cell_length_b [7.5170]
_cell_length_c [4.8665]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102065 | HoAl3 | data_[Ho9Al27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1586]
_cell_length_b [6.1586]
_cell_length_c [21.1868]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183796 | CeTmMg2 | data_[Ce4Tm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6369]
_cell_length_b [7.6369]
_cell_length_c [7.6369]
_c... |
mp-568588 | NdTlSe2 | data_[Nd3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3313]
_cell_length_b [4.3313]
_cell_length_c [23.3309]
_c... |
mp-1207551 | YbMoO4 | data_[Yb4Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.2254]
_cell_length_b [5.2254]
_cell_length_c [11.3756]
_... |
mp-1227970 | BaGa2GeSe6 | data_[Ba1Ga2Ge1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6378]
_cell_length_b [6.679... |
mp-1189209 | Ho2Te3 | data_[Ho32Te48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.6769]
_cell_length_b [12.2346]
_cell_length_c [26.1981]
_cell_angle_alpha [90.0000]
_ce... |
mp-1937 | YbCu | data_[Yb4Cu4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2550]
_cell_length_b [4.2756]
_cell_length_c [5.5968]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1111049 | Rb2CoAgF6 | data_[Rb8Co4Ag4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6036]
_cell_length_b [8.6... |
mp-865606 | CsTaGeS5 | data_[Cs2Ta2Ge2S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0624]
_cell_length_b [7.486... |
mp-1102093 | EuI2 | data_[Eu4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.4572]
_cell_length_b [4.9395]
_cell_length_c [8.4444]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1024991 | ErCu2 | data_[Er4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2922]
_cell_length_b [6.7412]
_cell_length_c [7.2333]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12777 | AlCu3 | data_[Al4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8369]
_cell_length_b [5.8369]
_cell_length_c [5.8369]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224326 | Ge3Te2Se | data_[Ge3Te2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1641]
_cell_length_b [4.1641]
_cell_length_c [10.2241]
_... |
mp-1171226 | MnZn(SiO3)2 | data_[Mn4Zn4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
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 [9.9894]
_cell_length_b [9.53... |
mp-1029943 | Ca3GaN3 | data_[Ca6Ga2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.2068]
_cell_length_b [7.2068]
_cell_length_c [5.0865]
_ce... |
mp-570706 | CsTiCu3Se4 | data_[Cs2Ti2Cu6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8254]
_cell_length_b [7... |
mp-1094066 | ScAgS2 | data_[Sc3Ag3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7664]
_cell_length_b [3.7664]
_cell_length_c [20.7116]
_cell... |
mp-989546 | 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 [Cmcm]
_cell_length_a [4.2115]
_cell_length_b [12.6236]
_cell_length_c [5.7690]
_ce... |
mp-1009130 | MnN | data_[Mn4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.2603]
_cell_length_b [4.2603]
_cell_length_c [4.2603]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189402 | Ta2Be17 | data_[Ta6Be51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3541]
_cell_length_b [7.3541]
_cell_length_c [10.7484]
_cell_angle_alpha [90.0000]
_cell... |
mp-644486 | KAlH4 | data_[K4Al4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.4002]
_cell_length_b [5.4002]
_cell_length_c [12.6071]
_ce... |
mp-979966 | Yb2Cr2C3 | data_[Yb4Cr4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1936]
_cell_length_b [3.5524]
_cell_length_c [5.5412]
_cel... |
mp-8236 | Ba(PPd)2 | data_[Ba1P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3112]
_cell_length_b [4.3112]
_cell_length_c [5.7284]
_ce... |
mp-864748 | Gd2MgIn | data_[Gd8Mg4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5834]
_cell_length_b [7.5834]
_cell_length_c [7.5834]
_c... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.