Database stringclasses 1
value | Material ID stringlengths 4 10 | Reduced Formula stringlengths 1 14 | Density (g/cm^3) stringlengths 3 6 | CIF stringlengths 763 1.7k | norm_Density (g/cm^3) stringlengths 3 6 |
|---|---|---|---|---|---|
MP-20 | mp-30507 | CeIr5 | 17.204 | data_[Ce1Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3085]
_cell_length_b [5.3085]
_cell_length_c [4.3552]
_cell_angle_alpha [90.0000]
_cell... | 0.7789 |
MP-20 | mp-1206992 | LuBiPt | 12.977 | data_[Lu4Bi4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6672]
_cell_length_b [6.6672]
_cell_length_c [6.6672]
_c... | 0.5875 |
MP-20 | mp-1185090 | K3Rb | 1.06 | data_[K12Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8313]
_cell_length_b [10.8313]
_cell_length_c [10.8313]
_cell_angle_alpha [90.0000]
_cel... | 0.048 |
MP-20 | mp-864999 | Dy2IrRh | 12.734 | data_[Dy8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8644]
_cell_length_b [6.8644]
_cell_length_c [6.8644]
_c... | 0.5765 |
MP-20 | mp-1188085 | DySiPt2 | 13.546 | data_[Dy4Si4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3603]
_cell_length_b [6.9650]
_cell_length_c [5.5550]
_ce... | 0.6133 |
MP-20 | mp-1215616 | ZnFe4NiO8 | 5.079 | data_[Zn4Fe16Ni4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5352]
_cell_length_b [8.... | 0.23 |
MP-20 | mp-5549 | MgSnAu | 8.137 | data_[Mg4Sn4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5228]
_cell_length_b [6.5228]
_cell_length_c [6.5228]
_c... | 0.3684 |
MP-20 | mp-1001603 | LuNiC2 | 9.207 | data_[Lu2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4681]
_cell_length_b [4.4974]
_cell_length_c [5.9591]
_cell... | 0.4169 |
MP-20 | mp-976885 | Li2Mg | 1.027 | data_[Li12Mg6]
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 [R32]
_cell_length_a [5.3190]
_cell_length_b [5.3190]
_cell_length_c [15.1272]
_cell_angle_alpha [90.0000]
_cell_... | 0.0465 |
MP-20 | mp-1011709 | Cs2Se | 4.073 | data_[Cs8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6302]
_cell_length_b [9.1364]
_cell_length_c [12.1736]
_cell_angle_alpha [90.0000]
_cel... | 0.1844 |
MP-20 | mp-8868 | Ba3NaN | 3.386 | data_[Ba6Na2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.5204]
_cell_length_b [8.5204]
_cell_length_c [7.0040]
_... | 0.1533 |
MP-20 | mp-30927 | CsAs4F13 | 3.436 | data_[Cs2As8F26]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.7890]
_cell_length_b [9.7890]
_cell_length_c [6.8545]
_cell... | 0.1556 |
MP-20 | mp-1187213 | Ta2ReOs | 18.755 | data_[Ta8Re4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3946]
_cell_length_b [6.3946]
_cell_length_c [6.3946]
_c... | 0.8491 |
MP-20 | mp-1079136 | U2InPt2 | 14.647 | data_[U4In2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8261]
_cell_length_b [7.8261]
_cell_length_c [3.6319]
_ce... | 0.6632 |
MP-20 | mp-62 | Pa | 15.743 | 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 [I4/mmm]
_cell_length_a [3.9154]
_cell_length_b [3.9154]
_cell_length_c [3.1793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... | 0.7128 |
MP-20 | mp-1094739 | LaMg | 4.348 | data_[La2Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.6145]
_cell_length_b [3.8245]
_cell_length_c [5.8051]
_cell_angle_alpha [90.0000]
_cell_a... | 0.1969 |
MP-20 | mp-567863 | Y3Ni13B2 | 7.635 | data_[Y3Ni13B2]
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 [P6/mmm]
_cell_length_a [4.9326]
_cell_length_b [4.9326]
_cell_length_c [10.8520]
_ce... | 0.3457 |
MP-20 | mp-4437 | NdTe2Se | 6.468 | data_[Nd4Te8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3010]
_cell_length_b [26.4959]
_cell_length_c [4.3114]
_c... | 0.2928 |
MP-20 | mp-1217961 | TaAu | 17.661 | data_[Ta1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9280]
_cell_length_b [2.9280]
_cell_length_c [4.1448]
_cell_angle_alpha [90.0000]
_cell... | 0.7996 |
MP-20 | mp-973434 | Hf2IrRu | 15.555 | data_[Hf8Ir4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5240]
_cell_length_b [6.5240]
_cell_length_c [6.5240]
_c... | 0.7043 |
MP-20 | mp-12107 | TiPt3 | 17.033 | data_[Ti1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9520]
_cell_length_b [3.9520]
_cell_length_c [3.9520]
_cell_angle_alpha [90.0000]
_cell_... | 0.7712 |
MP-20 | mp-1100779 | ZrZnPt2 | 13.322 | data_[Zr4Zn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4842]
_cell_length_b [6.4842]
_cell_length_c [6.4842]
_c... | 0.6032 |
MP-20 | mp-2515 | CrPt3 | 17.544 | data_[Cr1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9217]
_cell_length_b [3.9217]
_cell_length_c [3.9217]
_cell_angle_alpha [90.0000]
_cell_... | 0.7943 |
MP-20 | mp-1228942 | CsCuRhF6 | 4.62 | data_[Cs4Cu4Rh4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3963]
_cell_length_b [7.47... | 0.2092 |
MP-20 | mp-1183557 | CaSmMg2 | 3.343 | data_[Ca4Sm4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8022]
_cell_length_b [7.8022]
_cell_length_c [7.8022]
_c... | 0.1514 |
MP-20 | mp-862858 | PaPt3 | 18.487 | data_[Pa2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7700]
_cell_length_b [5.7700]
_cell_length_c [5.0860]
_cell_angle_alpha [90.0000]
_ce... | 0.837 |
MP-20 | mp-1207694 | TmSbIr | 12.648 | data_[Tm4Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1104]
_cell_length_b [4.4701]
_cell_length_c [7.9788]
_ce... | 0.5726 |
MP-20 | mp-1079335 | Er(NiB)2 | 8.467 | data_[Er4Ni8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3769]
_cell_length_b [5.2139]
_cell_length_c [6.8825]
_cell... | 0.3833 |
MP-20 | mp-31058 | Er3InN | 9.682 | data_[Er3In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7645]
_cell_length_b [4.7645]
_cell_length_c [4.7645]
_cel... | 0.4384 |
MP-20 | mp-8090 | Cu2P2O7 | 3.924 | data_[Cu4P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [C2/m]
_cell_length_a [7.1171]
_cell_length_b [8.2235]
_cell_length_c [4.6655]
_cell_... | 0.1777 |
MP-20 | mp-1217090 | Ti8C5 | 4.564 | data_[Ti24C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0945]
_cell_length_b [3.0945]
_cell_length_c [58.2986]
_cell_angle_alpha [90.0000]
_cell_... | 0.2066 |
MP-20 | mp-1226701 | CeU4C5 | 12.372 | data_[Ce2U8C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5325]
_cell_length_b [3.5325]
_cell_length_c [24.7873]
_ce... | 0.5601 |
MP-20 | mp-10456 | HfSiPt | 13.66 | data_[Hf4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5948]
_cell_length_b [3.9085]
_cell_length_c [7.5770]
_ce... | 0.6185 |
MP-20 | mp-15846 | Lu5SbPd2 | 10.377 | data_[Lu20Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5634]
_cell_length_b [7.5634]
_cell_length_c [13.5326]... | 0.4698 |
MP-20 | mp-30849 | TaPt2 | 19.204 | data_[Ta4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.4960]
_cell_length_b [4.8533]
_cell_length_c [4.7907]
_cell_angle_alpha [90.0000]
_cell_a... | 0.8695 |
MP-20 | mp-1224737 | Fe2CuNiPt4 | 15.293 | data_[Fe2Cu1Ni1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7199]
_cell_length_b [2.7... | 0.6924 |
MP-20 | mp-862776 | TmPaOs2 | 16.216 | data_[Tm4Pa4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pa 1.5000 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8375]
_cell_length_b [6.8375]
_cell_length_c [6.8375]
_c... | 0.7342 |
MP-20 | mp-1185270 | LiNpRh2 | 11.284 | data_[Li4Np4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4210]
_cell_length_b [6.4210]
_cell_length_c [6.4210]
_c... | 0.5109 |
MP-20 | mp-973443 | Hf2ReTc | 15.219 | data_[Hf8Re4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5408]
_cell_length_b [6.5408]
_cell_length_c [6.5408]
_c... | 0.689 |
MP-20 | mp-7693 | BaTm2F8 | 6.749 | data_[Ba2Tm4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9623]
_cell_length_b [10.5055]
_cell_length_c [4.2715]
_ce... | 0.3056 |
MP-20 | mp-1219491 | ReW3 | 19.242 | data_[Re2W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1575]
_cell_length_b [4.4907]
_cell_length_c [8.9797]
_cell_angle_alpha [90.0000]
_cell_ang... | 0.8712 |
MP-20 | mp-1102285 | AlPS4 | 1.928 | data_[Al2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [5.7586]
_cell_length_b [5.7586]
_cell_length_c [9.6713]
_cell_... | 0.0873 |
MP-20 | mp-862789 | Er2ZnIr | 11.919 | data_[Er8Zn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9104]
_cell_length_b [6.9104]
_cell_length_c [6.9104]
_c... | 0.5396 |
MP-20 | mp-1079182 | AlPt3 | 16.841 | data_[Al2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.5344]
_cell_length_b [5.5344]
_cell_length_c [3.9418]
_cell_angle_alpha [90.0000]
_cell... | 0.7625 |
MP-20 | mp-1179336 | SnSe | 5.955 | data_[Sn4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9859]
_cell_length_b [4.2993]
_cell_length_c [4.2789]
_cell_angle_alpha [90.0000]
_cell_... | 0.2696 |
MP-20 | mp-1187284 | Tb2Si5Ir3 | 10.249 | 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]
... | 0.464 |
MP-20 | mp-7603 | Li2TiF6 | 2.887 | data_[Li4Ti2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7218]
_cell_length_b [4.7218]
_cell_length_c [9.0690]
... | 0.1307 |
MP-20 | mp-1205933 | Sm2CdAu2 | 10.736 | data_[Sm4Cd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1205]
_cell_length_b [8.1205]
_cell_length_c [3.7859]
_... | 0.4861 |
MP-20 | mp-971769 | Tm | 9.334 | data_[Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5048]
_cell_length_b [3.5048]
_cell_length_c [11.3012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... | 0.4226 |
MP-20 | mp-19890 | URe2 | 18.555 | data_[U4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5254]
_cell_length_b [5.5254]
_cell_length_c [8.2649]
_cell_angle_alpha [90.0000]
_cell... | 0.8401 |
MP-20 | mp-1188579 | BH6N | 0.723 | data_[B4H24N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.0646]
_cell_length_b [7.3424]
_cell_length_c [6.3701]
_cell_... | 0.0327 |
MP-20 | mp-1178661 | YbMoClO4 | 4.473 | data_[Yb4Mo4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5756]
_cell_length_b [6.9... | 0.2025 |
MP-20 | mp-978271 | Mg3Al | 1.979 | data_[Mg3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3767]
_cell_length_b [4.3767]
_cell_length_c [4.3767]
_cell_angle_alpha [90.0000]
_cell_... | 0.0896 |
MP-20 | mp-1218457 | Sr4ZrTi3O12 | 4.972 | data_[Sr4Zr1Ti3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0281]
_cell_length_b [4.... | 0.2251 |
MP-20 | mp-1189081 | Ho6Ni2Sn | 9.07 | data_[Ho24Ni8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3290]
_cell_length_b [9.5871]
_cell_length_c [10.0364]
_... | 0.4106 |
MP-20 | mp-20971 | SnPt3 | 17.392 | data_[Sn1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0658]
_cell_length_b [4.0658]
_cell_length_c [4.0658]
_cell_angle_alpha [90.0000]
_cell_... | 0.7874 |
MP-20 | mp-1183818 | DyLuRu2 | 11.727 | data_[Dy4Lu4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7360]
_cell_length_b [6.7360]
_cell_length_c [6.7360]
_c... | 0.5309 |
MP-20 | mp-11242 | DyPbAu | 11.717 | data_[Dy4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8486]
_cell_length_b [6.8486]
_cell_length_c [6.8486]
_c... | 0.5305 |
MP-20 | mp-1180961 | K | 0.838 | data_[K4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.4280]
_cell_length_b [4.4280]
_cell_length_c [15.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... | 0.0379 |
MP-20 | mp-1102695 | YbRe2 | 16.447 | data_[Yb4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4267]
_cell_length_b [5.4267]
_cell_length_c [8.6371]
_cell_angle_alpha [90.0000]
_ce... | 0.7446 |
MP-20 | mp-1187456 | ThMgRh2 | 9.831 | data_[Th4Mg4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7841]
_cell_length_b [6.7841]
_cell_length_c [6.7841]
_c... | 0.4451 |
MP-20 | mp-1105932 | Li2MgSi | 1.705 | data_[Li8Mg4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.3673]
_cell_length_b [6.3673]
_cell_length_c [6.3673]
_c... | 0.0772 |
MP-20 | mp-1106386 | BH6N | 0.879 | data_[B2H12N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.5118]
_cell_length_b [5.5033]
_cell_length_c [4.7014]
_cell_an... | 0.0398 |
MP-20 | mp-643069 | Li2HIO | 2.648 | data_[Li8H4I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4919]
_cell_length_b [5.6514]
... | 0.1199 |
MP-20 | mp-1111140 | K3NiF6 | 2.87 | data_[K12Ni4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7547]
_cell_length_b [8.7547]
_cell_length_c [8.7547]
_cel... | 0.1299 |
MP-20 | mp-12072 | UAu2 | 16.882 | data_[U1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8792]
_cell_length_b [4.8792]
_cell_length_c [3.0150]
_cell_angle_alpha [90.0000]
_cell_a... | 0.7643 |
MP-20 | mp-1186565 | PmDy3 | 8.004 | data_[Pm2Dy6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2474]
_cell_length_b [7.2474]
_cell_length_c [5.7693]
_cell_angle_alpha [90.0000]
_ce... | 0.3624 |
MP-20 | mp-159 | Nd | 6.752 | data_[Nd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2158]
_cell_length_b [5.2158]
_cell_length_c [5.2158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... | 0.3057 |
MP-20 | mp-1079324 | Cr3AsC | 7.079 | data_[Cr12As4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9784]
_cell_length_b [10.2513]
_cell_length_c [7.4656]
_ce... | 0.3205 |
MP-20 | mp-890 | NdIr2 | 15.397 | data_[Nd8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6978]
_cell_length_b [7.6978]
_cell_length_c [7.6978]
_cell_angle_alpha [90.0000]
_cell... | 0.6971 |
MP-20 | mp-1184158 | DyTmRh2 | 11.301 | data_[Dy4Tm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8097]
_cell_length_b [6.8097]
_cell_length_c [6.8097]
_c... | 0.5117 |
MP-20 | mp-1226007 | CoIr | 16.409 | data_[Co1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.6746]
_cell_length_b [2.6746]
_cell_length_c [4.1025]
_cell_angle_alpha [90.0000]
_cell_... | 0.7429 |
MP-20 | mp-546500 | NaCNO | 1.825 | data_[Na3C3N3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [R3m]
_cell_length_a [3.6726]
_cell_length_b [3.6726]
_c... | 0.0826 |
MP-20 | mp-505282 | CeGeRh | 8.83 | data_[Ce4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0589]
_cell_length_b [4.4105]
_cell_length_c [7.6269]
_ce... | 0.3998 |
MP-20 | mp-1185819 | Mg5Sc | 1.998 | data_[Mg5Sc1]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.5703]
_cell_length_b [5.5703]
_cell_length_c [5.1491]
_cell_angle_alpha [90.0000]
_cell_... | 0.0905 |
MP-20 | mp-753862 | Li2FeF5 | 2.815 | data_[Li8Fe4F20]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8829]
_cell_length_b [9.9225]
_cell_length_c [10.0872]
_ce... | 0.1275 |
MP-20 | mp-1226564 | CeIrOs | 15.579 | data_[Ce4Ir4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1285]
_cell_length_b [5.4748]
_cell_length_c [7.9349]
_ce... | 0.7053 |
MP-20 | mp-1205875 | Ba2InReO6 | 7.651 | data_[Ba8In4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
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 [8.3544]
_cell_length_b [8.3... | 0.3464 |
MP-20 | mp-976707 | H4CN2O | 1.127 | data_[H8C2N4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
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-42_1m]
_cell_length_a [6.2058]
_cell_length_b [6.2058]
... | 0.051 |
MP-20 | mp-865001 | HfScOs2 | 14.791 | data_[Hf4Sc4Os8]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4729]
_cell_length_b [6.4729]
_cell_length_c [6.4729]
_c... | 0.6697 |
MP-20 | mp-980665 | Zn2CuIr | 11.769 | data_[Zn8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0201]
_cell_length_b [6.0201]
_cell_length_c [6.0201]
_c... | 0.5328 |
MP-20 | mp-754497 | Mn3O5F | 4.68 | 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 [Pm]
_cell_length_a [6.4292]
_cell_length_b [3.0162]
_cell_length_c [10.1730]
_cell_a... | 0.2119 |
MP-20 | mp-1217102 | Ti3Nb(AlC)2 | 4.622 | data_[Ti3Nb1Al2C2]
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
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0679]
_cell_length_b [3.067... | 0.2093 |
MP-20 | mp-1186563 | PmEr3 | 8.516 | data_[Pm2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0162]
_cell_length_b [5.0162]
_cell_length_c [10.0242]
_cell_angle_alpha [90.0000]
_cel... | 0.3856 |
MP-20 | mp-1071839 | UCu4Au | 12.541 | data_[U4Cu16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1467]
_cell_length_b [7.1467]
_cell_length_c [7.1467]
_ce... | 0.5678 |
MP-20 | mp-928 | HoIr2 | 16.834 | data_[Ho8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5684]
_cell_length_b [7.5684]
_cell_length_c [7.5684]
_cell_angle_alpha [90.0000]
_cell... | 0.7622 |
MP-20 | mp-1184572 | HfMgPt2 | 14.2 | data_[Hf4Mg4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5215]
_cell_length_b [6.5215]
_cell_length_c [6.5215]
_c... | 0.6429 |
MP-20 | mp-1105707 | Ho3Ni13B2 | 9.379 | data_[Ho3Ni13B2]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9064]
_cell_length_b [4.9064]
_cell_length_c [10.8654]
_... | 0.4246 |
MP-20 | mp-755140 | W(BrO)2 | 4.778 | data_[W2Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.6814]
_cell_length_b [3.9009]
_cell_length_c [7.7104]
_cell... | 0.2163 |
MP-20 | mp-22866 | HoBi | 9.892 | data_[Ho4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3086]
_cell_length_b [6.3086]
_cell_length_c [6.3086]
_cell_angle_alpha [90.0000]
_cell_... | 0.4479 |
MP-20 | mp-1237566 | Rb3CrF6 | 2.182 | data_[Rb3Cr1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0300]
_cell_length_b [7.0476]
_cell_length_c [7.1004]
_cell_... | 0.0988 |
MP-20 | mp-696946 | BaSn2(HO2)2 | 4.664 | data_[Ba2Sn4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.3091]
_cell_length_b [5.8941]... | 0.2112 |
MP-20 | mp-752767 | LiAgF2 | 4.991 | data_[Li2Ag2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.2785]
_cell_length_b [3.0489]
_cell_length_c [6.5430]
_cell_a... | 0.226 |
MP-20 | mp-644223 | LiBH4 | 0.713 | data_[Li2B2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1800]
_cell_length_b [4.1800]
_cell_length_c [6.7099]
_cell... | 0.0323 |
MP-20 | mp-18720 | Mn2CdO4 | 5.423 | data_[Mn8Cd4O16]
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 [I4_1/amd]
_cell_length_a [5.9296]
_cell_length_b [5.9296]
_cell_length_c [9.9737]
... | 0.2455 |
MP-20 | mp-1221607 | MnRe3B2 | 15.614 | data_[Mn8Re24B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [4.4878]
_cell_length_b [7.8415]
_cell_length_c [15.3561]
_c... | 0.7069 |
MP-20 | mp-864890 | Hf2FeIr | 14.898 | data_[Hf8Fe4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4613]
_cell_length_b [6.4613]
_cell_length_c [6.4613]
_c... | 0.6745 |
MP-20 | mp-865604 | Li5Mg | 0.816 | data_[Li5Mg1]
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 [P-62m]
_cell_length_a [5.2730]
_cell_length_b [5.2730]
_cell_length_c [4.9860]
_cell_angle_alpha [90.0000]
_cell_... | 0.0369 |
MP-20 | mp-974616 | Pt3Rh | 18.575 | data_[Pt6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9436]
_cell_length_b [3.9436]
_cell_length_c [7.9113]
_cell_angle_alpha [90.0000]
_cell... | 0.841 |
MP-20 | mp-790 | LuPt3 | 18.616 | data_[Lu1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0778]
_cell_length_b [4.0778]
_cell_length_c [4.0778]
_cell_angle_alpha [90.0000]
_cell_... | 0.8428 |
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