Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1542401 | MgSnF6 | data_[Mg3Sn3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4101]
_cell_length_b [5.4101]
_cell_length_c [13.8326]
_cel... |
mp-861951 | LiTaRh2 | data_[Li4Ta4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1453]
_cell_length_b [6.1453]
_cell_length_c [6.1453]
_c... |
mp-550751 | BaBeSiO4 | data_[Ba2Be2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9124]
_cell_length_b [5.2908]... |
mp-1064456 | CuO | data_[Cu4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [3.9819]
_cell_length_b [4.3071]
_cell_length_c [5.1559]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-580941 | AgI | data_[Ag4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8486]
_cell_length_b [4.8486]
_cell_length_c [14.4872]
_cell_angle_alpha [90.0000]
_cell_... |
mp-105 | Te | data_[Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.2688]
_cell_length_b [3.1969]
_cell_length_c [4.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-863674 | ErMgHg2 | data_[Er4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1533]
_cell_length_b [7.1533]
_cell_length_c [7.1533]
_c... |
mp-1025577 | W3(SeS2)2 | data_[W3Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [3.2315]
_cell_length_b [3.2315]
_cell_length_c [29.7056]
_cell_... |
mp-1221768 | Mn4CdS5 | data_[Mn8Cd2S10]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.3554]
_cell_length_b [8.3554]
_cell_length_c [5.2845]
_cel... |
mp-8248 | Rb2TeO3 | data_[Rb8Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8424]
_cell_length_b [6.5896]
_cell_length_c [7.6750]
_ce... |
mp-11834 | CuNiSb2 | data_[Cu1Ni1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0972]
_cell_length_b [4.0972]
_cell_length_c [5.1372]
_c... |
mp-1095572 | TbAlAu | data_[Tb4Al4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2494]
_cell_length_b [4.4661]
_cell_length_c [7.8302]
_ce... |
mp-1189639 | Th3Ni3Sn4 | data_[Th12Ni12Sn16]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6595]
_cell_length_b [9.6595]
_cell_length_c [9.6595]... |
mp-5132 | YPO4 | data_[Y4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.9823]
_cell_length_b [6.9823]
_cell_length_c [6.0717]
_cel... |
mp-6999 | ScPS4 | data_[Sc2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2675]
_cell_length_b [6.5732]
_cell_length_c [7.5247]
_cell_an... |
mp-1213870 | Ce2CN3Cl | data_[Ce8C4N12Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4414]
_cell_length_b [13.259... |
mp-1105908 | La5Sn3 | data_[La10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5669]
_cell_length_b [9.5669]
_cell_length_c [6.9445]
_cell_angle_alpha [90.0000]
_c... |
mp-759777 | Mn(CoO3)2 | data_[Mn4Co8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [8.5905]
_cell_length_b [4.9504]
_cell_length_c [9.6284]
_cel... |
mp-1272755 | Li2FeO2 | data_[Li4Fe2O4]
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 [P2_1/c]
_cell_length_a [5.2459]
_cell_length_b [3.1247]
_cell_length_c [5.6317]
_ce... |
mp-1215937 | YAlFe | data_[Y4Al4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3454]
_cell_length_b [5.5053]
_cell_length_c [7.4447]
_cell... |
mp-1216468 | V3Si2Mo3 | data_[V9Si6Mo9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7952]
_cell_length_b [6.7952]
_cell_length_c [8.3462]
_cell_... |
mp-569783 | ErFe3 | data_[Er9Fe27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0671]
_cell_length_b [5.0671]
_cell_length_c [24.1344]
_cell_angle_alpha [90.0000]
_cell... |
mp-10644 | TaTl3Se4 | data_[Ta2Tl6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.0632]
_cell_length_b [8.0632]
_cell_length_c [8.0632]
_c... |
mp-675880 | Cu2SnTe3 | data_[Cu8Sn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.5532]
_cell_length_b [13.0611]
_cell_length_c [7.5637]
_ce... |
mp-1102210 | DyRe2 | data_[Dy4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4360]
_cell_length_b [5.4360]
_cell_length_c [8.8438]
_cell_angle_alpha [90.0000]
_ce... |
mp-18802 | BaPr2NiO5 | data_[Ba2Pr4Ni2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8790]
_cell_length_b [6.02... |
mp-1223364 | KNaNb2O6 | data_[K1Na1Nb2O6]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0838]
_cell_length_b [4.0025]
_... |
mp-1186454 | Pm2CuNi | data_[Pm8Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0079]
_cell_length_b [7.0079]
_cell_length_c [7.0079]
_c... |
mvc-5910 | Mg2MoWO6 | data_[Mg6Mo3W3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 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 [R3]
_cell_length_a [5.2787]
_cell_length_b [5.2787]
... |
mp-754903 | Y(BO2)3 | data_[Y4B12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7125]
_cell_length_b [8.0075]
_cell_length_c [6.2852]
_cell_a... |
mp-4586 | LiAlTe2 | data_[Li4Al4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4214]
_cell_length_b [6.4214]
_cell_length_c [11.9237]
_... |
mp-1190044 | Tm4Ge6Os7 | data_[Tm8Ge12Os14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3295]
_cell_length_b [8.3295]
_cell_length_c [8.3295]
... |
mp-1220340 | Nd2Ge3Pd | data_[Nd2Ge3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1951]
_cell_length_b [4.3481]
_cell_length_c [7.3814]
_ce... |
mp-1227141 | CaNdCrO4 | data_[Ca4Nd4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4316]
_cell_length_b [11... |
mp-1219974 | PrGa3Pd | data_[Pr2Ga6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2610]
_cell_length_b [4.2610]
_cell_length_c [10.8322]
_... |
mp-1102160 | EuGaSn | data_[Eu4Ga4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5803]
_cell_length_b [4.5803]
_cell_length_c [17.9296... |
mp-9868 | KCu3S2 | data_[K4Cu12S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [14.5887]
_cell_length_b [3.8972]
_cell_length_c [8.2965]
_cell... |
mp-1100392 | LiSiB | data_[Li4Si4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.0095]
_cell_length_b [5.0095]
_cell_length_c [5.0095]
_cel... |
mp-1114392 | Rb2InSbI6 | data_[Rb8In4Sb4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.5069]
_cell_length_b [12... |
mp-5920 | LiAlGe | data_[Li4Al4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0191]
_cell_length_b [6.0191]
_cell_length_c [6.0191]
_c... |
mp-755364 | NdSeO | data_[Nd8Se8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [13.4781]
_cell_length_b [6.0016]
_cell_length_c [5.9986]
_cel... |
mp-1218975 | SmYS2 | data_[Sm3Y3S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9311]
_cell_length_b [3.9311]
_cell_length_c [19.7315]
_cell_... |
mp-1132 | CdO | data_[Cd4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.7837]
_cell_length_b [4.7837]
_cell_length_c [4.7837]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-21024 | SrIn2Pd | data_[Sr4In8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6068]
_cell_length_b [10.9696]
_cell_length_c [8.0184]
_c... |
mp-1029338 | LiV2N3 | data_[Li4V8N12]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.0685]
_cell_length_b [5.9530]
_cell_length_c [4.1099]
_cell... |
mp-5426 | ErB3Mo | data_[Er2B6Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4176]
_cell_length_b [3.1585]
_cell_length_c [6.8162]
_ce... |
mp-672233 | N2 | data_[N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0432]
_cell_length_b [4.0432]
_cell_length_c [6.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-22422 | Ce3Te4 | data_[Ce12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5417]
_cell_length_b [9.5417]
_cell_length_c [9.5417]
_cell_angle_alpha [90.0000]
_cel... |
mp-1025154 | UTl2O4 | data_[U2Tl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3821]
_cell_length_b [4.3821]
_cell_length_c [14.1769]
_cel... |
mp-545506 | GdZnPO | data_[Gd6Zn6P6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9355]
_cell_length_b [3.9355]... |
mp-1189451 | 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 [Pna2_1]
_cell_length_a [4.4101]
_cell_length_b [5.3047]
_cell_length_c [4.2523]
_cell... |
mp-30438 | Be2Cr | data_[Be8Cr4]
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 [P6_3/mmc]
_cell_length_a [4.1988]
_cell_length_b [4.1988]
_cell_length_c [6.9109]
_cell_angle_alpha [90.0000]
_ce... |
mp-1103896 | Gd3BiO3 | data_[Gd12Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5229]
_cell_length_b [3.9211]
_cell_length_c [12.0859]
_... |
mp-1094092 | NaPH6 | data_[Na4P4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4319]
_cell_length_b [7.4319]
_cell_length_c [7.4319]
_cell... |
mp-867689 | LiCuS | data_[Li2Cu2S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.8295]
_cell_length_b [4.0998]
_cell_length_c [6.1739]
_ce... |
mp-1227236 | CaCd3O4 | data_[Ca1Cd3O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3962]
_cell_length_b [3.3962]
_cell_length_c [9.5453]
_ce... |
mp-1226579 | CeSiGe | data_[Ce4Si4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.0991]
_cell_length_b [4.1571]
_cell_length_c [14.9182]
_c... |
mp-19988 | SmGa5Co | data_[Sm1Ga5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2659]
_cell_length_b [4.2659]
_cell_length_c [6.9269]
_... |
mp-1246436 | MgScTiS4 | data_[Mg4Sc4Ti4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3503]
_cell_length_b [7.52... |
mp-14344 | Yb2(NiB2)3 | data_[Yb4Ni6B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6799]
_cell_length_b [8.5747]
_cell_length_c [3.4711]
_cel... |
mp-626497 | Al(HO)3 | data_[Al4H12O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0467]
_cell_length_b [9.0317]
_cell_length_c [4.7854]
_cell_a... |
mp-1189696 | Si5Ir4 | data_[Si10Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9434]
_cell_length_b [3.6528]
_cell_length_c [12.4514]
_cell_angle_alpha [90.0000]
_ce... |
mp-1222704 | LaZnAgP2 | data_[La1Zn1Ag1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2292]
_cell_length_b [4.229... |
mp-1190257 | GeSe2 | data_[Ge24Se48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.3291]
_cell_length_b [24.0320]
_cell_length_c [7.9416]
_cell_angle_alpha [90.0000]
_ce... |
mp-1106025 | Bi6Te10Pb | data_[Bi18Te30Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5094]
_cell_length_b [4.5094]
_cell_length_c [102.7627]... |
mp-30500 | TiCd | data_[Ti2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.9109]
_cell_length_b [2.9109]
_cell_length_c [9.1073]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187209 | Ta2TiW | data_[Ta8Ti4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5136]
_cell_length_b [6.5136]
_cell_length_c [6.5136]
_cel... |
mp-11610 | PrCo4B | data_[Pr2Co8B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1216]
_cell_length_b [5.1216]
_cell_length_c [6.8365]
_ce... |
mp-862815 | LiScAu2 | data_[Li4Sc4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5934]
_cell_length_b [6.5934]
_cell_length_c [6.5934]
_c... |
mp-1112643 | CsInI3 | data_[Cs8In8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4608]
_cell_length_b [12.4608]
_cell_length_c [12.4608]
... |
mp-571352 | TmB6 | data_[Tm1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0808]
_cell_length_b [4.0808]
_cell_length_c [4.0808]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102521 | PrGaPd | data_[Pr4Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1079]
_cell_length_b [4.5765]
_cell_length_c [7.9307]
_ce... |
mp-1206699 | Si4P4Os | data_[Si4P4Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9816]
_cell_length_b [5.6592]
_cell_length_c [6.2182]
_cell_a... |
mp-1101301 | TeO3 | data_[Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2392]
_cell_length_b [9.0810]
_cell_length_c [5.3818]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1206017 | ThAlCo | data_[Th3Al3Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0250]
_cell_length_b [7.0250]
_cell_length_c [4.0189]
_c... |
mp-1147595 | CuPb2(ClO)2 | data_[Cu2Pb4Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0101]
_cell_length_b [4.0... |
mp-550081 | Ba2LaIrO6 | data_[Ba6La3Ir3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.1291]
_cell_length_b [6.129... |
mp-18190 | CaCu3(SnO3)4 | data_[Ca2Cu6Sn8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.7667]
_cell_length_b [7.76... |
mp-22999 | Hg3(ClO)2 | data_[Hg6Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4858]
_cell_length_b [7.1041]
_cell_length_c [6.9579]
_ce... |
mp-37520 | Ca(PrTe2)2 | data_[Ca4Pr8Te16]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.5827]
_cell_length_b [9.5827]
_cell_length_c [9.6772]
_... |
mp-15081 | Sm2Se3 | data_[Sm8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4033]
_cell_length_b [4.1296]
_cell_length_c [11.1326]
_cell_angle_alpha [90.0000]
_cel... |
mp-862774 | LiInPt2 | data_[Li4In4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3571]
_cell_length_b [6.3571]
_cell_length_c [6.3571]
_c... |
mp-556477 | Lu2O3 | data_[Lu12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7704]
_cell_length_b [3.3918]
_cell_length_c [8.4200]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209845 | NdSiPd2 | data_[Nd4Si4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5789]
_cell_length_b [6.9832]
_cell_length_c [5.7124]
_ce... |
mp-20584 | RbEuS2 | data_[Rb3Eu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2526]
_cell_length_b [4.2526]
_cell_length_c [22.9296]
_cel... |
mp-1026023 | Mo2W(SeS2)2 | data_[Mo2W1Se2S4]
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 [3.2329]
_cell_length_b [3.2329]... |
mp-1221888 | Mn3Fe9C4 | data_[Mn3Fe9C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4572]
_cell_length_b [5.0168]
_cell_length_c [6.7436]
_cell_a... |
mp-27419 | LiBiF6 | data_[Li3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2382]
_cell_length_b [5.2382]
_cell_length_c [14.4189]
_cel... |
mp-22251 | TbGaPt | data_[Tb4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9600]
_cell_length_b [4.4597]
_cell_length_c [7.6927]
_ce... |
mp-1217672 | Tb2ZnCu | data_[Tb2Zn1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5441]
_cell_length_b [3.5441]
_cell_length_c [7.0507]
_... |
mp-15791 | LiErS2 | data_[Li3Er3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8750]
_cell_length_b [3.8750]
_cell_length_c [18.4981]
_cel... |
mp-1009730 | Ca2Sn | data_[Ca8Sn4]
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 [Fm-3m]
_cell_length_a [7.5713]
_cell_length_b [7.5713]
_cell_length_c [7.5713]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865318 | Lu2MgRu | data_[Lu8Mg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9587]
_cell_length_b [6.9587]
_cell_length_c [6.9587]
_c... |
mp-1218465 | SrCa3(RuO3)4 | data_[Sr1Ca3Ru4O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4732]
_cell_length_b [7.7930... |
mp-22409 | Hf3B2Ir5 | data_[Hf6B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2830]
_cell_length_b [9.2830]
_cell_length_c [3.3940]
_c... |
mp-1245927 | Ti2SN2 | data_[Ti2S1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3959]
_cell_length_b [3.3959]
_cell_length_c [6.1486]
_cell_... |
mp-1225370 | DyCdIn | data_[Dy2Cd2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8834]
_cell_length_b [4.8834]
_cell_length_c [7.4171]
_c... |
mp-30817 | LiAl2Pd | data_[Li4Al8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1086]
_cell_length_b [6.1086]
_cell_length_c [6.1086]
_c... |
mp-558573 | Y2O3 | data_[Y12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1228]
_cell_length_b [3.5160]
_cell_length_c [8.6953]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-573563 | Sm(CoP)2 | data_[Sm2Co4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8779]
_cell_length_b [3.8779]
_cell_length_c [9.5941]
_ce... |
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