Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1217380 | ThV2PbO8 | data_[Th2V4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
V 1.6300 1.3500 0.7775
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.5295]
_cell_length_b [7.529... |
mp-1025315 | Mn(AlTe2)2 | data_[Mn2Al4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9890]
_cell_length_b [5.9890]
_cell_length_c [12.6067]
_... |
mp-2532 | PrTe | data_[Pr4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4156]
_cell_length_b [6.4156]
_cell_length_c [6.4156]
_cell_angle_alpha [90.0000]
_cell_... |
mp-619064 | PrMnGeO5 | data_[Pr2Mn2Ge2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7269]
_cell_length_b [5.797... |
mp-1079595 | NdInNi2 | data_[Nd2In2Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.1750]
_cell_length_b [4.0809]
_cell_length_c [7.1539]
_ce... |
mp-16733 | Sc2GaC | data_[Sc4Ga2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3089]
_cell_length_b [3.3089]
_cell_length_c [14.6967]
... |
mp-675668 | Yb(PrS2)2 | data_[Yb4Pr8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5796]
_cell_length_b [8.5796]
_cell_length_c [8.6079]
_ce... |
mp-1186177 | NaTbTl2 | data_[Na4Tb4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6134]
_cell_length_b [7.6134]
_cell_length_c [7.6134]
_c... |
mp-776172 | AlCuO3 | data_[Al4Cu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7091]
_cell_length_b [6.7817]
_cell_length_c [6.2327]
_c... |
mp-1217473 | TbHoFe4 | data_[Tb4Ho4Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2859]
_cell_length_b [7.2859]
_cell_length_c [7.2859]
_... |
mp-23265 | GdCl3 | data_[Gd2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.5615]
_cell_length_b [7.5615]
_cell_length_c [4.0741]
_cell_angle_alpha [90.0000]
_cell... |
mp-27251 | Bi2TeO6 | data_[Bi8Te4O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4544]
_cell_length_b [16.8396]
_cell_length_c [5.4576]
_ce... |
mp-756282 | VBiO3 | data_[V4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7795]
_cell_length_b [7.8812]
_cell_length_c [5.4976]
_cell_... |
mp-978963 | Ti3Be | data_[Ti6Be2]
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 [P6_3/mmc]
_cell_length_a [5.5511]
_cell_length_b [5.5511]
_cell_length_c [4.4858]
_cell_angle_alpha [90.0000]
_ce... |
mp-1205484 | Pr2(CuSn2)3 | data_[Pr4Cu6Sn12]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4858]
_cell_length_b [4.4858]
_cell_length_c [26.2013]
_... |
mp-24074 | Dy(HO)3 | data_[Dy2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.3584]
_cell_length_b [6.3584]
_cell_length_c [3.5436]
_cell... |
mp-1224528 | In5CuTe8 | data_[In10Cu2Te16]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.9487]
_cell_length_b [12.6128]
_cell_length_c [9.0171]
_c... |
mp-18963 | Ba2Mn3(AsO)2 | data_[Ba4Mn6As4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3587]
_cell_length_b [4.3... |
mp-1084794 | NdCdGa | data_[Nd3Cd3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4883]
_cell_length_b [7.4883]
_cell_length_c [4.4921]
_c... |
mp-862876 | PmAg2Pb | data_[Pm4Ag8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2668]
_cell_length_b [7.2668]
_cell_length_c [7.2668]
_c... |
mp-1101375 | ScTiO3 | data_[Sc6Ti6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2469]
_cell_length_b [5.2469]
_cell_length_c [14.2790]
_cel... |
mp-2468 | ErHg | data_[Er1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6976]
_cell_length_b [3.6976]
_cell_length_c [3.6976]
_cell_angle_alpha [90.0000]
_cell_... |
mp-867234 | TbMgHg2 | data_[Tb4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [7.2084]
_cell_length_b [7.2084]
_cell_length_c [7.2084]
_c... |
mp-1099253 | Mg3NiO4 | data_[Mg3Ni1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2458]
_cell_length_b [4.2458]
_cell_length_c [4.2458]
_cel... |
mp-1216958 | U(AlFe)6 | data_[U2Al12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9404]
_cell_length_b [8.5211]
_cell_length_c [8.6546]
_ce... |
mp-1008833 | NpN2 | data_[Np4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2239]
_cell_length_b [5.2239]
_cell_length_c [5.2239]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-15339 | Sr3As4 | data_[Sr24As32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [15.0097]
_cell_length_b [18.0670]
_cell_length_c [6.0428]
_cell_angle_alpha [90.0000]
_ce... |
mp-1223995 | Ho4CdS7 | data_[Ho8Cd2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7224]
_cell_length_b [3.8256]
_cell_length_c [11.5670]
_cel... |
mp-1205295 | Yb2PbAu2 | data_[Yb4Pb2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2482]
_cell_length_b [8.2482]
_cell_length_c [3.6107]
_... |
mp-24720 | PuH2 | data_[Pu4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3572]
_cell_length_b [5.3572]
_cell_length_c [5.3572]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1216712 | UMnAl | data_[U4Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1497]
_cell_length_b [5.5233]
_cell_length_c [6.9888]
_cell... |
mp-753355 | Ce5Y2O13 | data_[Ce15Y6O39]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8309]
_cell_length_b [3.8309]
_cell_length_c [66.8994]
_cell... |
mp-680932 | OsPbO3 | data_[Os16Pb16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.4189]
_cell_length_b [10.4189]
_cell_length_c [10.4189... |
mp-754198 | Ba(LaI4)2 | data_[Ba2La4I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0424]
_cell_length_b [14.6106]
_cell_length_c [6.3823]
_c... |
mp-1222339 | Lu2AlCo3 | data_[Lu6Al3Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2486]
_cell_length_b [5.2486]
_cell_length_c [11.5424]
_c... |
mp-1178768 | Y5Ge3C | data_[Y10Ge6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5287]
_cell_length_b [8.5287]
_cell_length_c [6.4621]
_c... |
mp-1084778 | CsZn4As3 | data_[Cs1Zn4As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2600]
_cell_length_b [4.2600]
_cell_length_c [10.6880]
... |
mp-19743 | LaFeGe3 | data_[La2Fe2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3656]
_cell_length_b [4.3656]
_cell_length_c [10.0171]
_c... |
mp-1186367 | Pa | data_[Pa2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1731]
_cell_length_b [3.1731]
_cell_length_c [5.6673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-753669 | Hf(MnSn)6 | data_[Hf1Mn6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3987]
_cell_length_b [5.3987]
_cell_length_c [8.9734]
_... |
mp-560675 | K6Cu(SiO4)2 | data_[K6Cu1Si2O8]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2823]
_cell_length_b [6.7515]
... |
mp-656152 | Gd2Cl3 | data_[Gd8Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2764]
_cell_length_b [3.9185]
_cell_length_c [10.1720]
_cell_angle_alpha [90.0000]
_cel... |
mp-1207061 | Ba(AlGa)2 | data_[Ba2Al4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5311]
_cell_length_b [4.5311]
_cell_length_c [11.2841]
... |
mp-1077109 | SmSiPt | data_[Sm4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1794]
_cell_length_b [4.1794]
_cell_length_c [14.4774]
... |
mp-20996 | DyIn5Rh | data_[Dy1In5Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6593]
_cell_length_b [4.6593]
_cell_length_c [7.5642]
_... |
mp-12640 | Ba2DyNbO6 | data_[Ba8Dy4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5598]
_cell_length_b [8.5... |
mp-1218379 | Sr4GaSi3 | data_[Sr4Ga1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1735]
_cell_length_b [4.7911]
_cell_length_c [11.5449]
_c... |
mp-2807 | ScP | data_[Sc4P4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3169]
_cell_length_b [5.3169]
_cell_length_c [5.3169]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-756168 | Li2Nb4O11 | data_[Li4Nb8O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9669]
_cell_length_b [3.7927]
_cell_length_c [9.9311]
_ce... |
mp-1078237 | NaNiF3 | data_[Na4Ni4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0543]
_cell_length_b [10.1971]
_cell_length_c [7.4426]
_ce... |
mp-2128 | Sn4Pd | data_[Sn16Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Ccce]
_cell_length_a [6.5616]
_cell_length_b [11.6529]
_cell_length_c [6.5299]
_cell_angle_alpha [90.0000]
_cell... |
mp-1226891 | Cd3PI3 | data_[Cd3P1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.4250]
_cell_length_b [4.5133]
_cell_length_c [7.8663]
_cell_ang... |
mp-15317 | Rb2NaHoF6 | data_[Rb8Na4Ho4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9791]
_cell_length_b [8.9... |
mp-755338 | Sm(FeO2)2 | data_[Sm3Fe6O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6065]
_cell_length_b [3.6065]
_cell_length_c [24.7129]
_ce... |
mp-1220318 | NbH | data_[Nb2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.2139]
_cell_length_b [3.2139]
_cell_length_c [3.9686]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-642817 | KHO | data_[K4H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9911]
_cell_length_b [3.9791]
_cell_length_c [8.0463]
_cell_a... |
mp-1188357 | La5PPb3 | data_[La10P2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6608]
_cell_length_b [9.6608]
_cell_length_c [7.3213]
... |
mp-1106347 | Th(BRh)4 | data_[Th2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3923]
_cell_length_b [5.3923]
_cell_length_c [7.6224]
_... |
mp-1212509 | Ho12Ni6Pb | data_[Ho24Ni12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.6846]
_cell_length_b [9.6846]
_cell_length_c [9.6846]
_... |
mp-1007758 | HfCd | data_[Hf2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.0879]
_cell_length_b [3.0879]
_cell_length_c [9.1690]
_cell_angle_alpha [90.0000]
_cell... |
mp-770690 | Mn3TeO6 | data_[Mn9Te3O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4274]
_cell_length_b [5.4274]
_cell_length_c [14.2812]
_cell... |
mp-1078866 | Y(BC)2 | data_[Y2B4C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.3526]
_cell_length_b [5.3526]
_cell_length_c [3.5872]
_cell_a... |
mp-1225410 | ErUN2 | data_[Er1U1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4379]
_cell_length_b [3.4379]
_cell_length_c [4.8275]
_cell... |
mp-763365 | Mn3O5F | data_[Mn6O10F2]
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 [P-1]
_cell_length_a [4.5438]
_cell_length_b [5.4415]
_cell_length_c [7.5643]
_cell_a... |
mp-14769 | Ba2Zn3(AsO)2 | data_[Ba4Zn6As4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2245]
_cell_length_b [4.2... |
mp-9764 | Rb2NbAgSe4 | data_[Rb16Nb8Ag8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.1555]
_cell_length_b [1... |
mp-1225521 | ErCuTe2 | data_[Er1Cu1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3546]
_cell_length_b [4.3546]
_cell_length_c [6.8603]
_ce... |
mp-952 | MoPt2 | data_[Mo2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7652]
_cell_length_b [4.0030]
_cell_length_c [8.3868]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-675132 | K6InP3 | data_[K12In2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.8898]
_cell_length_b [8.9413]
_cell_length_c [10.0930]
_cell_... |
mp-952566 | NaSnSb | data_[Na2Sn2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.3704]
_cell_length_b [4.3704]
_cell_length_c [11.8975]
... |
mp-1112622 | Cs2ScAgCl6 | data_[Cs8Sc4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6015]
_cell_length_b [... |
mp-1183042 | ZrSiRu2 | data_[Zr4Si4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2300]
_cell_length_b [6.2300]
_cell_length_c [6.2300]
_c... |
mp-11550 | Sc2Pt | data_[Sc8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6243]
_cell_length_b [4.5204]
_cell_length_c [8.2541]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1208755 | Sr2SmBiO6 | data_[Sr4Sm2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9801]
_cell_length_b [6.... |
mp-29788 | KTb3F12 | data_[K2Tb6F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.0148]
_cell_length_b [8.0148]
_cell_length_c [7.8496]
_cell_... |
mp-753461 | Li4Mn3OF11 | data_[Li4Mn3O1F11]
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 [P1]
_cell_length_a [5.7708]
_cell_length_b [6.0524]
... |
mp-112 | Y | data_[Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6590]
_cell_length_b [3.6590]
_cell_length_c [5.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-675120 | Cu2SiTe3 | data_[Cu8Si4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.2961]
_cell_length_b [12.6722]
_cell_length_c [7.3072]
_ce... |
mp-1187785 | YbEuGa2 | data_[Yb4Eu4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3051]
_cell_length_b [7.3051]
_cell_length_c [7.3051]
_c... |
mp-1101715 | VCrO3 | data_[V4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1200]
_cell_length_b [5.4943]
_cell_length_c [8.8761]
_cell_a... |
mp-13514 | NdBO3 | data_[Nd4B4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3936]
_cell_length_b [6.5970]
_cell_length_c [6.6035]
_cell_a... |
mp-1215263 | ZrB2Mo3C2 | data_[Zr2B4Mo6C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1614]
_cell_length_b [3.1953]... |
mp-1025163 | Gd2C(NO)2 | data_[Gd2C1N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8051]
_cell_length_b [3.8051]
... |
mp-1187608 | Tm2CuRh | data_[Tm8Cu4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7996]
_cell_length_b [6.7996]
_cell_length_c [6.7996]
_c... |
mp-1219745 | PrYNi4 | data_[Pr4Y4Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2960]
_cell_length_b [7.2960]
_cell_length_c [7.2960]
_ce... |
mp-1187284 | Tb2Si5Ir3 | data_[Tb8Si20Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9805]
_cell_length_b [11.4966]
_cell_length_c [5.8456]
... |
mp-1186925 | SbAu3 | data_[Sb2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2788]
_cell_length_b [4.2788]
_cell_length_c [8.7321]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225337 | Dy4MnS7 | data_[Dy8Mn2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5295]
_cell_length_b [3.8093]
_cell_length_c [11.4613]
_cel... |
mp-10530 | Tm2AlSi2 | data_[Tm4Al2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0219]
_cell_length_b [5.7842]
_cell_length_c [8.5146]
_ce... |
mp-381 | SiRu | data_[Si1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.9385]
_cell_length_b [2.9385]
_cell_length_c [2.9385]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1078274 | Ca2SnGe2 | data_[Ca4Sn2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4552]
_cell_length_b [7.4552]
_cell_length_c [4.4857]
_... |
mp-1221269 | Na3GdTi2Nb2O12 | data_[Na3Gd1Ti2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Gd 1.2000 1.8000 1.0750
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-1224337 | HfScGe4 | data_[Hf2Sc2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8064]
_cell_length_b [3.8592]
_cell_length_c [15.0515]
_c... |
mp-4911 | Th(CuGe)2 | data_[Th2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1963]
_cell_length_b [4.1963]
_cell_length_c [10.1230]
... |
mp-1217091 | Ti3Nb | data_[Ti6Nb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.0691]
_cell_length_b [3.2414]
_cell_length_c [4.8093]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-865656 | TiMn2W | data_[Ti4Mn8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9641]
_cell_length_b [5.9641]
_cell_length_c [5.9641]
_cel... |
mp-1206561 | RbScBr3 | data_[Rb2Sc2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8945]
_cell_length_b [7.8945]
_cell_length_c [6.2148]... |
mp-1184181 | Er5Mg | data_[Er15Mg3]
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
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.0760]
_cell_length_b [6.0760]
_cell_length_c [16.5480]
_cell_angle_alpha [90.0000]
_cell_... |
mp-985301 | AcDy3 | data_[Ac2Dy6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2024]
_cell_length_b [5.2024]
_cell_length_c [10.2641]
_cell_angle_alpha [90.0000]
_cel... |
mp-1111694 | K3MnF6 | data_[K12Mn4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9159]
_cell_length_b [8.9159]
_cell_length_c [8.9159]
_cel... |
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