Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-7812 | GeO2 | data_[Ge4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.0873]
_cell_length_b [5.0873]
_cell_length_c [7.2915]
_cell_angle_alpha [90.0000]
_cell... |
mp-20862 | CoSe2 | data_[Co2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.8959]
_cell_length_b [5.8213]
_cell_length_c [3.6429]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-784631 | CrNi2 | data_[Cr2Ni4]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.4745]
_cell_length_b [3.5535]
_cell_length_c [7.4209]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1183454 | Ca2HgGe | data_[Ca8Hg4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4770]
_cell_length_b [7.4770]
_cell_length_c [7.4770]
_c... |
mp-865963 | LiGaAg2 | data_[Li4Ga4Ag8]
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 [Fm-3m]
_cell_length_a [6.4005]
_cell_length_b [6.4005]
_cell_length_c [6.4005]
_c... |
mp-20118 | Cr2AgTe4 | data_[Cr16Ag8Te32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.5200]
_cell_length_b [11.5200]
_cell_length_c [11.520... |
mp-22238 | TbSnPt | data_[Tb4Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2506]
_cell_length_b [4.5788]
_cell_length_c [8.0708]
_ce... |
mp-1028452 | Te3W2Se | data_[Te6W4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4975]
_cell_length_b [3.4975]
_cell_length_c [39.6992]
_cel... |
mp-866015 | CaPrZn2 | data_[Ca4Pr4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3884]
_cell_length_b [7.3884]
_cell_length_c [7.3884]
_c... |
mvc-4246 | TaReO6 | data_[Ta2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2928]
_cell_length_b [7.5079]
_cell_length_c [5.4242]
_c... |
mp-1219177 | Sm2C | data_[Sm6C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6532]
_cell_length_b [3.6532]
_cell_length_c [19.3564]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1095605 | GdAl4Ni | data_[Gd4Al16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1104]
_cell_length_b [15.5664]
_cell_length_c [6.5296]
_... |
mp-5177 | LuSnAu | data_[Lu4Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6563]
_cell_length_b [6.6563]
_cell_length_c [6.6563]
_c... |
mp-1247450 | Sr2CdN2 | data_[Sr4Cd2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8888]
_cell_length_b [3.8888]
_cell_length_c [13.7901]
_c... |
mp-1232295 | Mg(InS2)2 | data_[Mg4In8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9420]
_cell_length_b [8.9420]
_cell_length_c [8.6396]
_ce... |
mp-539 | Ga2S3 | data_[Ga8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.4217]
_cell_length_b [6.5383]
_cell_length_c [7.1214]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-10876 | Ca3Al7Cu2 | data_[Ca9Al21Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5793]
_cell_length_b [5.5793]
_cell_length_c [25.7984]
_... |
mp-1103012 | Ta4CoP | data_[Ta8Co2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.1333]
_cell_length_b [6.1333]
_cell_length_c [5.0111]
_ce... |
mp-1216423 | VAg3HgO4 | data_[V1Ag3Hg1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7629]
_cell_length_b [5.9971]
_... |
mp-867745 | Ge2N2O | data_[Ge8N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0938]
_cell_length_b [17.5503]
_cell_length_c [5.1100]
_cel... |
mp-17625 | Na2Cu4S3 | data_[Na8Cu16S12]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0528]
_cell_length_b [3.8209]
_cell_length_c [10.2745]
_... |
mp-23229 | FeCl2 | data_[Fe3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5245]
_cell_length_b [3.5245]
_cell_length_c [20.0126]
_cell_angle_alpha [90.0000]
_cell_... |
mp-37521 | Nd2USe4 | data_[Nd8U4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9149]
_cell_length_b [8.9149]
_cell_length_c [8.8377]
_ce... |
mp-38102 | Na3CeF7 | data_[Na6Ce2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0062]
_cell_length_b [7.8402]
_cell_length_c [6.5986]
_cell_... |
mp-27044 | CoP2O7 | data_[Co2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6443]
_cell_length_b [8.0933]
_cell_length_c [4.5606]
_cell_an... |
mp-569341 | NdBPt2 | data_[Nd3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.4789]
_cell_length_b [5.4789]
_cell_length_c [8.0446]
_ce... |
mp-1188036 | ZrNiH | data_[Zr4Ni4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3222]
_cell_length_b [10.2630]
_cell_length_c [4.0679]
_cel... |
mp-1187313 | Tb3Tm | data_[Tb6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0060]
_cell_length_b [5.0060]
_cell_length_c [10.0438]
_cell_angle_alpha [90.0000]
_cel... |
mp-1215663 | Zr2SiNi3 | data_[Zr4Si2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0182]
_cell_length_b [5.0182]
_cell_length_c [7.8290]... |
mp-1211354 | La6Al3Ni4SnRu | data_[La6Al3Ni4Sn1Ru1]
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
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_leng... |
mp-647 | NbS | data_[Nb2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3100]
_cell_length_b [3.3100]
_cell_length_c [6.6691]
_cell_angle_alpha [90.0000]
_cell... |
mp-1086673 | DyTe3 | data_[Dy4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3452]
_cell_length_b [25.9677]
_cell_length_c [4.3457]
_cell_angle_alpha [90.0000]
_cell... |
mp-1096971 | GaAgO2 | data_[Ga3Ag3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0370]
_cell_length_b [3.0370]
_cell_length_c [18.8316]
_cel... |
mp-1224350 | Ge(SbTe2)2 | data_[Ge3Sb6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3095]
_cell_length_b [4.3095]
_cell_length_c [41.6912]
_c... |
mp-570340 | AgAuCl4 | data_[Ag4Au4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2312]
_cell_length_b [4.3890]
_cell_length_c [13.2070]
... |
mp-571126 | Ti2BRh6 | data_[Ti8B4Rh24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9149]
_cell_length_b [7.9149]
_cell_length_c [7.9149]
_ce... |
mp-752911 | LiVF3 | data_[Li4V4F12]
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 [Pnma]
_cell_length_a [5.4558]
_cell_length_b [7.8343]
_cell_length_c [5.3667]
_cell_... |
mp-1215549 | Zn2Si2AsP3 | data_[Zn4Si4As2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.9647]
_cell_length_b [5.4760... |
mp-1207012 | Ho(AlGe)2 | data_[Ho1Al2Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2921]
_cell_length_b [4.2921]
_cell_length_c [6.5715]
_c... |
mp-1224181 | In2CuSe3I | data_[In4Cu2Se6I2]
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
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2237]
_cell_length_b [4.1882... |
mp-641957 | Nd(Fe2B)6 | data_[Nd3Fe36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5875]
_cell_length_b [9.5875]
_cell_length_c [7.4679]
_ce... |
mp-1106034 | Th3Tl5 | data_[Th12Tl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.4919]
_cell_length_b [8.4525]
_cell_length_c [10.4656]
_cell_angle_alpha [90.0000]
_ce... |
mp-35276 | K(FeAs)2 | data_[K2Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7737]
_cell_length_b [3.7737]
_cell_length_c [14.1333]
_c... |
mp-861993 | Ho2TlAg | data_[Ho8Tl4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4221]
_cell_length_b [7.4221]
_cell_length_c [7.4221]
_c... |
mp-989580 | Cs2KNF6 | data_[Cs8K4N4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9731]
_cell_length_b [8.9731]... |
mp-1225660 | Dy3(Ga2Cu)2 | data_[Dy12Ga16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3347]
_cell_length_b [4.4327]
_cell_length_c [15.8364]
_... |
mp-1216815 | Tl3(SO4)2 | data_[Tl6S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0229]
_cell_length_b [5.8467]
_cell_length_c [7.8661]
_cell... |
mp-972949 | LaSmZn2 | data_[La4Sm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4108]
_cell_length_b [7.4108]
_cell_length_c [7.4108]
_c... |
mp-18377 | ZnS | data_[Zn30S30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8594]
_cell_length_b [3.8594]
_cell_length_c [94.4123]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1221739 | Mn4BiSb3 | data_[Mn4Bi1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1643]
_cell_length_b [5.6633]
_cell_length_c [7.1880]
_ce... |
mp-557624 | CePO4 | data_[Ce3P3O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [7.1874]
_cell_length_b [7.1874]
_cell_length_c [6.4881]
_cel... |
mp-975933 | NdHoIn2 | data_[Nd4Ho4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6324]
_cell_length_b [7.6324]
_cell_length_c [7.6324]
_c... |
mp-573321 | TePdI2 | data_[Te2Pd2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4391]
_cell_length_b [7.2523]
_cell_length_c [9.2871]
_cell_... |
mp-7062 | Mg3Al9FeSi5 | data_[Mg3Al9Fe1Si5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6345]
_cell_length_b [6.... |
mp-763941 | Mn6OF11 | data_[Mn12O2F22]
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 [Amm2]
_cell_length_a [3.3038]
_cell_length_b [21.1765]
_cell_length_c [6.9134]
_cel... |
mp-1112101 | K2AgAuBr6 | data_[K8Ag4Au4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8340]
_cell_length_b [10... |
mp-9523 | Rb(ThSe3)2 | data_[Rb2Th4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2645]
_cell_length_b [5.5881]
_cell_length_c [23.0823]
_... |
mp-13995 | Hg2GeO4 | data_[Hg16Ge8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.7387]
_cell_length_b [11.2560]
_cell_length_c [11.6616]
_... |
mp-18782 | LiFeO2 | data_[Li4Fe4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1225]
_cell_length_b [4.1225]
_cell_length_c [8.7541]
_... |
mp-623988 | GdCdPd | data_[Gd3Cd3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6557]
_cell_length_b [7.6557]
_cell_length_c [3.9621]
_c... |
mp-1114667 | Rb2LiTmCl6 | data_[Rb8Li4Tm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4100]
_cell_length_b [... |
mp-1102026 | BaGaGe | data_[Ba4Ga4Ge4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4014]
_cell_length_b [4.4014]
_cell_length_c [20.4716... |
mp-772290 | LiAgO | data_[Li8Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.3425]
_cell_length_b [9.3425]
_cell_length_c [3.8495]
_ce... |
mp-754278 | Fe3(OF2)2 | data_[Fe12O8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3598]
_cell_length_b [6.5988]
_cell_length_c [7.6630]
_cell_a... |
mp-15703 | BeCN2 | data_[Be4C4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.7637]
_cell_length_b [3.7637]
_cell_length_c [6.9861]
_cell_... |
mp-1187335 | TbDyRh2 | data_[Tb4Dy4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8743]
_cell_length_b [6.8743]
_cell_length_c [6.8743]
_c... |
mp-1096 | CeS | data_[Ce4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6826]
_cell_length_b [5.6826]
_cell_length_c [5.6826]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-28044 | TmCl3 | data_[Tm6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.6579]
_cell_length_b [6.6579]
_cell_length_c [18.0434]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187047 | Sn3Hg | data_[Sn6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8454]
_cell_length_b [6.8454]
_cell_length_c [5.3813]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188954 | Ba3Ge5 | data_[Ba12Ge20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.4020]
_cell_length_b [8.6764]
_cell_length_c [10.4759]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206585 | Ce2InAu2 | data_[Ce4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0918]
_cell_length_b [8.0918]
_cell_length_c [3.8878]
_... |
mp-865545 | Pm2SiAu | data_[Pm8Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3441]
_cell_length_b [7.3441]
_cell_length_c [7.3441]
_c... |
mp-865931 | Ti2TcPd | data_[Ti8Tc4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2641]
_cell_length_b [6.2641]
_cell_length_c [6.2641]
_c... |
mp-989639 | Cs2KInF6 | data_[Cs8K4In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4527]
_cell_length_b [9.452... |
mp-1213249 | Er5Ni2Bi | data_[Er20Ni8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5776]
_cell_length_b [7.5776]
_cell_length_c [13.5688]... |
mp-1228123 | Ba5(Ga2Se5)2 | data_[Ba20Ga16Se40]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [12.7983]
_cell_length_b [14.1902]
_cell_length_c [12.487... |
mp-989568 | Cs2NaMgF6 | data_[Cs8Na4Mg4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8721]
_cell_length_b [8.8... |
mp-1183524 | Bi2O3 | data_[Bi12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.3821]
_cell_length_b [6.3821]
_cell_length_c [14.1645]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1214424 | BaNa3(PO4)2 | data_[Ba1Na3P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6227]
_cell_length_b [5.6227... |
mp-572929 | U2Cu2As3O | data_[U4Cu4As6O2]
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
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9087]
_cell_length_b [3.908... |
mp-11775 | RbUO3 | data_[Rb1U1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3612]
_cell_length_b [4.3612]
_cell_length_c [4.3612]
_cell_... |
mp-1187527 | TlAgPd2 | data_[Tl4Ag4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5954]
_cell_length_b [6.5954]
_cell_length_c [6.5954]
_c... |
mp-977129 | HgPd3 | data_[Hg2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7462]
_cell_length_b [5.7462]
_cell_length_c [4.6958]
_cell_angle_alpha [90.0000]
_ce... |
mp-30344 | Li2InAg | data_[Li8In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6104]
_cell_length_b [6.6104]
_cell_length_c [6.6104]
_c... |
mp-8774 | Rb3CO3F | data_[Rb18C6O18F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.9887]
_cell_length_b [7.9887]... |
mp-1226809 | CdHOF | data_[Cd2H2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.5344]
_cell_length_b [5.6280]... |
mp-1211182 | LiCr4InS8 | data_[Li4Cr16In4S32]
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
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2269]
_cell_length_b [1... |
mp-1212147 | HfTlCdF7 | data_[Hf4Tl4Cd4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8950]
_cell_length_b [11.2... |
mp-17401 | Rb3Sn4Au | data_[Rb6Sn8Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.1590]
_cell_length_b [13.5031]
_cell_length_c [6.7391]
_c... |
mp-1220560 | Nd2(InSn)3 | data_[Nd2In3Sn3]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7404]
_cell_length_b [4.7661]
_cell_length_c [9.5009]
_ce... |
mp-1590 | Be12Cr | data_[Be24Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1940]
_cell_length_b [7.1940]
_cell_length_c [4.1226]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222558 | Li3Ag3Ge2 | data_[Li3Ag3Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0472]
_cell_length_b [4.0667]
_cell_length_c [7.9604]
_ce... |
mp-1228909 | Al3SiPd4 | data_[Al9Si3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9495]
_cell_length_b [6.9495]
_cell_length_c [8.3793]
_cel... |
mp-570460 | LaCo5 | data_[La4Co20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [5.0710]
_cell_length_b [8.7095]
_cell_length_c [7.9006]
_cell_angle_alpha [90.0000]
_cell_... |
mp-989620 | LaTaN3 | data_[La4Ta4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1164]
_cell_length_b [5.7632]
_cell_length_c [8.3328]
_c... |
mp-568394 | MoCl3 | data_[Mo8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2649]
_cell_length_b [10.0311]
_cell_length_c [13.1037]
_cell_angle_alpha [90.0000]
_cel... |
mp-555641 | Nb2Te4Cl10O | data_[Nb2Te4Cl10O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8636]
_cell_length_b [8.716... |
mp-1080556 | EuNiGe2 | data_[Eu4Ni4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3136]
_cell_length_b [16.9812]
_cell_length_c [4.1850]
_c... |
mp-1028952 | MoW3(Se3S)2 | data_[Mo1W3Se6S2]
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 [3.2867]
_cell_length_b [3.2867]... |
mp-14398 | CaSn(BO3)2 | data_[Ca3Sn3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9197]
_cell_length_b [4.9197]... |
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