Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755572 | EuNbO3 | data_[Eu1Nb1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0824]
_cell_length_b [4.0824]
_cell_length_c [4.0824]
_cel... |
mp-989592 | Sr6Sn2NF | data_[Sr24Sn8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5073]
_cell_length_b [10.5... |
mp-578610 | NaMoO2 | data_[Na3Mo3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2815]
_cell_length_b [3.2815]
_cell_length_c [16.2267]
_cel... |
mp-1186734 | Pr3Y | data_[Pr3Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2069]
_cell_length_b [5.2069]
_cell_length_c [5.2069]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1067280 | TmTlSe2 | data_[Tm3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [4.1396]
_cell_length_b [4.1396]
_cell_length_c [23.4267]
_c... |
mp-754369 | Na4MgO3 | data_[Na16Mg4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.1861]
_cell_length_b [5.9403]
_cell_length_c [8.1142]
_cel... |
mp-1186313 | NdHoZn2 | data_[Nd4Ho4Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2423]
_cell_length_b [7.2423]
_cell_length_c [7.2423]
_c... |
mp-755200 | LiNiO2 | data_[Li8Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6839]
_cell_length_b [8.3288]
_cell_length_c [5.7957]
_cel... |
mp-20180 | Mn3GeC | data_[Mn3Ge1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7934]
_cell_length_b [3.7934]
_cell_length_c [3.7934]
_cel... |
mp-1215581 | Zr3HC2 | data_[Zr3H1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3596]
_cell_length_b [3.3596]
_cell_length_c [8.0238]
_cell_... |
mp-1221645 | MnCdO2 | data_[Mn3Cd3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2814]
_cell_length_b [3.2814]
_cell_length_c [16.0920]
_cel... |
mp-1281596 | VOF2 | data_[V4O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.1555]
_cell_length_b [5.3841]
_cell_length_c [5.4092]
_cell_angle... |
mp-1213039 | Dy(ZnP)3 | data_[Dy2Zn6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0071]
_cell_length_b [4.0071]
_cell_length_c [19.8393]
... |
mp-11324 | TaSe2 | data_[Ta1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4990]
_cell_length_b [3.4990]
_cell_length_c [6.8216]
_cell_angle_alpha [90.0000]
_cell_... |
mp-867685 | Li2MnOF3 | data_[Li8Mn4O4F12]
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 [Cm]
_cell_length_a [9.5618]
_cell_length_b [6.2952]
... |
mp-1079224 | V3AsN | data_[V12As4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1161]
_cell_length_b [10.2278]
_cell_length_c [7.5514]
_cell... |
mp-15910 | Re2SbO6 | data_[Re8Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2600]
_cell_length_b [4.9849]
_cell_length_c [5.5656]
_ce... |
mp-4587 | DyNiC2 | data_[Dy2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5942]
_cell_length_b [4.5164]
_cell_length_c [6.0044]
_cell... |
mp-1209038 | Sm6Co2Sn | data_[Sm24Co8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5643]
_cell_length_b [9.9117]
_cell_length_c [10.2390]
_... |
mp-1079994 | Y(NiB)2 | data_[Y4Ni8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4340]
_cell_length_b [5.2874]
_cell_length_c [6.8826]
_cell_a... |
mp-555911 | TlAsF6 | data_[Tl3As3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7140]
_cell_length_b [7.7140]
_cell_length_c [7.7993]
_cell... |
mp-1185210 | LaSbTe | data_[La4Sb4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [19.4532]
_cell_length_b [4.4113]
_cell_length_c [4.4494]
_c... |
mp-5273 | KPrTe2 | data_[K3Pr3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6550]
_cell_length_b [4.6550]
_cell_length_c [24.7969]
_cel... |
mp-1220348 | Nb6AlGa | data_[Nb6Al1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.2002]
_cell_length_b [5.2002]
_cell_length_c [5.2002]
_ce... |
mp-13941 | Sr2YbReO6 | data_[Sr8Yb4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2904]
_cell_length_b [8.2... |
mp-864735 | Mn3Ir | data_[Mn6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1739]
_cell_length_b [5.1739]
_cell_length_c [4.0510]
_cell_angle_alpha [90.0000]
_ce... |
mp-676241 | FeCl3 | data_[Fe2Cl6]
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 [P1]
_cell_length_a [3.7550]
_cell_length_b [7.5916]
_cell_length_c [8.8773]
_cell_angle_alpha [95.0339]
_cell_ang... |
mp-867868 | Sm2AgIr | data_[Sm8Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1897]
_cell_length_b [7.1897]
_cell_length_c [7.1897]
_c... |
mp-1221408 | Mn5In4SbPd10 | data_[Mn15In12Sb3Pd30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5441]
_cell_length_b [... |
mp-1215221 | ZrTiCr4 | data_[Zr2Ti2Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0008]
_cell_length_b [5.0008]
_cell_length_c [7.9520]
_c... |
mp-11964 | Ce2CdPt2 | data_[Ce4Cd2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8696]
_cell_length_b [7.8696]
_cell_length_c [3.7580]
_... |
mp-1632 | NdB4 | data_[Nd4B16]
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
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2384]
_cell_length_b [7.2384]
_cell_length_c [4.1200]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225719 | Er3(Al2Fe)2 | data_[Er6Al8Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
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 [5.3419]
_cell_length_b [5.3602]
_cell_length_c [13.2651]
_ce... |
mp-1220197 | NdAlCu4 | data_[Nd1Al1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3383]
_cell_length_b [5.3383]
_cell_length_c [4.0548]
_c... |
mp-16115 | Pr2CuO4 | data_[Pr8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.2809]
_cell_length_b [12.9500]
_cell_length_c [5.5835]
_ce... |
mp-1186540 | Pm3Sm | data_[Pm6Sm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1562]
_cell_length_b [5.1562]
_cell_length_c [10.3610]
_cell_angle_alpha [90.0000]
_cel... |
mp-1111225 | K2NaSbBr6 | data_[K8Na4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4040]
_cell_length_b [11... |
mp-754471 | LiFe5O3F5 | data_[Li2Fe10O6F10]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8500]
_cell_length_b [6.2426... |
mp-1226893 | CdGa4HgTe8 | data_[Cd2Ga8Hg2Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.1996]
_cell_length_b [6.0... |
mp-974451 | K2Al2O3F2 | data_[K8Al8O12F8]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3870]
_cell_length_b [8.2862]... |
mp-11332 | UB2C | data_[U9B18C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5472]
_cell_length_b [6.5472]
_cell_length_c [10.6932]
_cell_a... |
mp-1018726 | HfVGe | data_[Hf2V2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6929]
_cell_length_b [3.6929]
_cell_length_c [7.2989]
_ce... |
mp-13686 | Nb5Si3 | data_[Nb20Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.6150]
_cell_length_b [6.6150]
_cell_length_c [11.9555]
_cell_angle_alpha [90.0000]
_c... |
mp-977218 | Li2Mg | data_[Li8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1118]
_cell_length_b [15.8137]
_cell_length_c [5.0367]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1211648 | KCaBr3 | data_[K4Ca4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0606]
_cell_length_b [11.1551]
_cell_length_c [7.7822]
_ce... |
mp-1180725 | LaCoO3 | data_[La4Co4O20]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.5271]
_cell_length_b [5.5660]
_cell_length_c [5.4602]
_cell_... |
mp-21221 | Pr(FeGe)2 | data_[Pr2Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0540]
_cell_length_b [4.0540]
_cell_length_c [10.8257]
... |
mp-540703 | Cs2S | data_[Cs8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8275]
_cell_length_b [5.4382]
_cell_length_c [10.5391]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-638078 | CsTbZnTe3 | data_[Cs4Tb4Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4404]
_cell_length_b [17... |
mp-1025261 | MgPPd5 | data_[Mg1P1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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 [3.9466]
_cell_length_b [3.9466]
_cell_length_c [6.9912]
_ce... |
mp-21403 | CoCuP2O7 | data_[Co1Cu1P2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5936]
_cell_length_b [5.3734]
_... |
mp-1281224 | MnO | data_[Mn2O2]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2036]
_cell_length_b [4.4891]
_cell_length_c [3.1677]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-17383 | Ni2Ge | data_[Ni8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.1100]
_cell_length_b [3.8391]
_cell_length_c [7.2728]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-29619 | Sr2Bi | data_[Sr8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1526]
_cell_length_b [5.1526]
_cell_length_c [18.1556]
_cell_angle_alpha [90.0000]
_cel... |
mp-9522 | K(ThSe3)2 | data_[K2Th4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2491]
_cell_length_b [5.5870]
_cell_length_c [22.4463]
_ce... |
mp-23263 | LaBr3 | data_[La2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.1271]
_cell_length_b [8.1271]
_cell_length_c [4.5122]
_cell_angle_alpha [90.0000]
_cell... |
mp-703673 | YbVO3 | data_[Yb4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4593]
_cell_length_b [7.5548]
_cell_length_c [5.2726]
_cell_... |
mp-573995 | Ho(CoB)2 | data_[Ho2Co4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5448]
_cell_length_b [3.5448]
_cell_length_c [9.3154]
_ce... |
mp-1188744 | Pr(BrO2)3 | data_[Pr2Br6O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.1877]
_cell_length_b [6.4147]
_cell_length_c [11.3799]
_ce... |
mp-22315 | HfCoSn | data_[Hf6Co6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.1102]
_cell_length_b [7.1102]
_cell_length_c [7.1640]
_c... |
mp-11547 | YTlPd | data_[Y3Tl3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8935]
_cell_length_b [7.8935]
_cell_length_c [3.7925]
_cel... |
mp-623836 | ThNi | data_[Th8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.1187]
_cell_length_b [4.2803]
_cell_length_c [5.7034]
_cell_angle_alpha [90.0000]
_cell_... |
mp-569423 | Ga | data_[Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [6.0887]
_cell_length_b [6.0887]
_cell_length_c [6.0887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-14430 | Sr2YRuO6 | data_[Sr4Y2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
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 [5.8167]
_cell_length_b [5.88... |
mp-22231 | UTe3 | data_[U4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3646]
_cell_length_b [25.0202]
_cell_length_c [4.4475]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1095218 | BaThTe4 | data_[Ba4Th4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2946]
_cell_length_b [6.6075]
_cell_length_c [10.5088]
... |
mvc-7100 | Zn2AgWO6 | data_[Zn2Ag1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1229]
_cell_length_b [5.5408]
_... |
mp-8282 | Ti2N | data_[Ti4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.9601]
_cell_length_b [4.9601]
_cell_length_c [3.0346]
_cell_angle_alpha [90.0000]
_cell... |
mp-2749 | TiBe2 | data_[Ti8Be16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.4295]
_cell_length_b [6.4295]
_cell_length_c [6.4295]
_cell_angle_alpha [90.0000]
_cell... |
mp-771776 | Li2Cr3NiO8 | data_[Li6Cr9Ni3O24]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8666]
_cell_length_b [5.86... |
mp-1065301 | TmGa | data_[Tm4Ga4]
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 [Cmcm]
_cell_length_a [4.3087]
_cell_length_b [10.7042]
_cell_length_c [3.9998]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864955 | Mn2CrCo | data_[Mn8Cr4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7496]
_cell_length_b [5.7496]
_cell_length_c [5.7496]
_c... |
mp-1188734 | Pr(FeB)4 | data_[Pr2Fe8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.0935]
_cell_length_b [7.0935]
_cell_length_c [3.8071]
_ce... |
mp-30776 | PrMg12 | data_[Pr2Mg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.3578]
_cell_length_b [10.3578]
_cell_length_c [5.8578]
_cell_angle_alpha [90.0000]
_c... |
mp-570751 | Nb3Te | data_[Nb6Te2]
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
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.3029]
_cell_length_b [5.3029]
_cell_length_c [5.3029]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183489 | Ca3Sn | data_[Ca3Sn1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0222]
_cell_length_b [5.0222]
_cell_length_c [5.0222]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184618 | Ho2TlHg | data_[Ho8Tl4Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4927]
_cell_length_b [7.4927]
_cell_length_c [7.4927]
_c... |
mp-21487 | EuIn2Rh | data_[Eu4In8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3353]
_cell_length_b [10.5742]
_cell_length_c [8.2303]
_c... |
mp-862600 | Be2PtRh | data_[Be8Pt4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
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 [5.6230]
_cell_length_b [5.6230]
_cell_length_c [5.6230]
_c... |
mp-18695 | Fe15Co | data_[Fe15Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6915]
_cell_length_b [5.6915]
_cell_length_c [5.6915]
_cell_angle_alpha [90.0000]
_cell... |
mp-1104068 | Lu(Mo3Se4)2 | data_[Lu3Mo18Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5265]
_cell_length_b [9.5265]
_cell_length_c [11.7838]
_... |
mp-12494 | CsPrCdTe3 | data_[Cs4Pr4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6618]
_cell_length_b [17... |
mp-19090 | MnTeMoO6 | data_[Mn2Te2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [5.1815]
_cell_length_b [... |
mp-865160 | MgGeIr2 | data_[Mg4Ge4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1515]
_cell_length_b [6.1515]
_cell_length_c [6.1515]
_c... |
mp-1079052 | Er2CdGe2 | data_[Er4Cd2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2515]
_cell_length_b [7.2515]
_cell_length_c [4.1826]
_... |
mp-1206580 | GdSnGe | data_[Gd4Sn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3369]
_cell_length_b [16.4938]
_cell_length_c [4.1295]
_c... |
mp-1025266 | Tb2Cr2C3 | data_[Tb4Cr4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [10.4044]
_cell_length_b [3.3960]
_cell_length_c [5.6099]
_cel... |
mp-754625 | SrTaNO2 | data_[Sr8Ta8N8O16]
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 [C2/m]
_cell_length_a [11.5490]
_cell_length_b [8.096... |
mp-1018054 | HfPt3 | data_[Hf1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0335]
_cell_length_b [4.0335]
_cell_length_c [4.0335]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218990 | SmY4Se5 | data_[Sm3Y12Se15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1255]
_cell_length_b [4.1255]
_cell_length_c [49.9514]
_c... |
mp-9666 | K2NaGaP2 | data_[K8Na4Ga4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6551]
_cell_length_b [14.6353... |
mp-1218045 | Ta2TiO6 | data_[Ta8Ti4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0871]
_cell_length_b [6.8618]
_cell_length_c [7.4296]
_cel... |
mp-754534 | Li2CeO3 | data_[Li4Ce2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4906]
_cell_length_b [9.6673]
_cell_length_c [3.5547]
_cell... |
mp-753651 | SrLa2Cl8 | data_[Sr2La4Cl16]
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/m]
_cell_length_a [8.7165]
_cell_length_b [12.7072]
_cell_length_c [5.5379]
_... |
mp-1217508 | TbSc3(BO3)4 | data_[Tb1Sc3B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8529]
_cell_length_b [5.9711]... |
mp-1216915 | UGeAu | data_[U4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5073]
_cell_length_b [4.4797]
_cell_length_c [6.8209]
_cel... |
mp-3995 | La(CuSi)2 | data_[La2Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1457]
_cell_length_b [4.1457]
_cell_length_c [9.9473]
_... |
mp-1104244 | BaCo2(PO4)2 | data_[Ba1Co2P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [P-3]
_cell_length_a [5.4044]
_cell_length_b [5.4044]
... |
mp-568993 | Pr(NiAs)2 | data_[Pr2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1160]
_cell_length_b [4.1160]
_cell_length_c [10.1034]
... |
mp-21344 | CuGeO3 | data_[Cu2Ge2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.7459]
_cell_length_b [2.9810]
_cell_length_c [4.9422]
_cell... |
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