Material_ID stringlengths 11 15 | Reduced_Formula stringlengths 1 17 | CIF stringlengths 757 1.53k |
|---|---|---|
Generated_30847 | SrGa2 | data_[Sr6Ga12]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4882]
_cell_length_b [4.3188]
_cell_length_c [25.0103]
_cell_angle_alpha [90.0000]
_cell... |
Generated_37457 | LiFeF4 | data_[Li4Fe4F16]
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 [3.8130]
_cell_length_b [9.6633]
_cell_length_c [9.0198]
_cel... |
Generated_1799 | Ba5Bi3 | data_[Ba20Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.5458]
_cell_length_b [9.5458]
_cell_length_c [16.5437]
_cell_angle_alpha [90.0000]
_c... |
Generated_31750 | SrMg2 | data_[Sr1Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.8584]
_cell_length_b [5.8584]
_cell_length_c [4.6625]
_cell_angle_alpha [90.0000]
_cell... |
Generated_19143 | K2AgSb | data_[K8Ag4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5454]
_cell_length_b [14.3752]
_cell_length_c [6.3715]
_cel... |
Generated_37561 | LaPPd | data_[La2P2Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2492]
_cell_length_b [4.2492]
_cell_length_c [8.0031]
_... |
Generated_34319 | Yb | data_[Yb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8002]
_cell_length_b [4.8002]
_cell_length_c [4.8002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38814 | HfCdAg2 | data_[Hf4Cd4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8563]
_cell_length_b [6.8563]
_cell_length_c [6.8563]
_c... |
Generated_37428 | EuB2Rh3 | data_[Eu1B2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5834]
_cell_length_b [5.5834]
_cell_length_c [3.1446]
_ce... |
Generated_41453 | ZrIn | data_[Zr1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3557]
_cell_length_b [3.3557]
_cell_length_c [4.8819]
_cell_angle_alpha [90.0000]
_cell... |
Generated_14225 | Cs | data_[Cs2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8051]
_cell_length_b [5.8051]
_cell_length_c [6.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_40332 | Rb3In | data_[Rb12In4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.4212]
_cell_length_b [9.4212]
_cell_length_c [9.4212]
_cell_angle_alpha [90.0000]
_cell... |
Generated_15413 | Rb | data_[Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0382]
_cell_length_b [7.0382]
_cell_length_c [7.0382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_20911 | Tb5Tl3 | data_[Tb10Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2080]
_cell_length_b [9.2080]
_cell_length_c [6.6214]
_cell_angle_alpha [90.0000]
_c... |
Generated_8455 | Yb | data_[Yb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0848]
_cell_length_b [5.0848]
_cell_length_c [5.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_26349 | Mn5FeSb3 | data_[Mn10Fe2Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5646]
_cell_length_b [8.5646]
_cell_length_c [5.8203... |
Generated_24919 | Ce3Sm | data_[Ce3Sm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0107]
_cell_length_b [5.0107]
_cell_length_c [5.0107]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_32562 | La3Ir | data_[La12Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1396]
_cell_length_b [9.2959]
_cell_length_c [6.5695]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_30620 | Ba2TbReO6 | data_[Ba8Tb4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
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 [8.5651]
_cell_length_b [8.5... |
Generated_2091 | 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 [Pnma]
_cell_length_a [7.5236]
_cell_length_b [5.7625]
_cell_length_c [9.4460]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_30526 | Ca | data_[Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4309]
_cell_length_b [5.4309]
_cell_length_c [5.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_4823 | Y | data_[Y4]
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 [Fm-3m]
_cell_length_a [4.9247]
_cell_length_b [4.9247]
_cell_length_c [4.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_26059 | YbNi2 | data_[Yb8Ni16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.1937]
_cell_length_b [7.1937]
_cell_length_c [7.1937]
_cell_angle_alpha [90.0000]
_cell... |
Generated_41625 | Sr | data_[Sr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.0900]
_cell_length_b [5.0900]
_cell_length_c [5.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_26089 | Li(FeO2)2 | data_[Li4Fe8O16]
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 [Imma]
_cell_length_a [5.7675]
_cell_length_b [6.0290]
_cell_length_c [8.1303]
_cel... |
Generated_34253 | SmFeO3 | data_[Sm4Fe4O12]
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 [Pnma]
_cell_length_a [5.7100]
_cell_length_b [7.7901]
_cell_length_c [5.2260]
_cel... |
Generated_15258 | Ca3In5 | data_[Ca12In20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.2300]
_cell_length_b [8.4155]
_cell_length_c [10.6183]
_cell_angle_alpha [90.0000]
_ce... |
Generated_18228 | DyNi | data_[Dy4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6390]
_cell_length_b [10.3529]
_cell_length_c [4.0912]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_44434 | Rb | data_[Rb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.8028]
_cell_length_b [5.8028]
_cell_length_c [5.8028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_15307 | LiH3 | data_[Li2H6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8984]
_cell_length_b [3.8984]
_cell_length_c [5.2092]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_34813 | K | 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 [Cmcm]
_cell_length_a [6.2951]
_cell_length_b [6.9634]
_cell_length_c [6.3223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... |
Generated_23398 | 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 [3.6869]
_cell_length_b [3.6869]
_cell_length_c [5.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_22030 | Na2NiF4 | data_[Na4Ni2F8]
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 [I4/mmm]
_cell_length_a [4.1138]
_cell_length_b [4.1138]
_cell_length_c [14.1138]
_c... |
Generated_41021 | MnFe | data_[Mn1Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [2.9746]
_cell_length_b [2.9746]
_cell_length_c [2.9746]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_44909 | Cs2NaScCl6 | data_[Cs8Na4Sc4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9978]
_cell_length_b [... |
Generated_44125 | K2HgBi | data_[K8Hg4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0764]
_cell_length_b [8.0764]
_cell_length_c [8.0764]
_cel... |
Generated_12835 | Nb6Te | data_[Nb6Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5553]
_cell_length_b [7.5553]
_cell_length_c [3.5155]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_627 | EuB2 | data_[Eu1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.0674]
_cell_length_b [4.0674]
_cell_length_c [3.0439]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_2025 | K2NaRuF6 | data_[K8Na4Ru4F24]
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
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8129]
_cell_length_b [8.812... |
Generated_39124 | Li2TiP2 | data_[Li2Ti1P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5674]
_cell_length_b [3.5674]
_cell_length_c [6.7882]
_cel... |
Generated_4552 | CaMgSn | data_[Ca4Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7757]
_cell_length_b [4.7757]
_cell_length_c [15.4276... |
Generated_25512 | SmZnGe | data_[Sm4Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2175]
_cell_length_b [4.2175]
_cell_length_c [16.2495... |
Generated_8586 | Mg2CrTc | data_[Mg8Cr4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1818]
_cell_length_b [6.1818]
_cell_length_c [6.1818]
_c... |
Generated_13057 | Li2MnF4 | data_[Li4Mn2F8]
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 0.6483
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.8299]
_cell_length_b [4.1498]
_cell_length_c [5.3830]
_ce... |
Generated_17452 | Nd2Sn | data_[Nd4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5205]
_cell_length_b [5.5205]
_cell_length_c [6.6235]
_cell_angle_alpha [90.0000]
_ce... |
Generated_1873 | TiP | data_[Ti8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2441]
_cell_length_b [6.4397]
_cell_length_c [5.1379]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_38448 | Ba2DyReO6 | data_[Ba8Dy4Re4O24]
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
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 [8.5362]
_cell_length_b [8.5... |
Generated_29328 | Li3Mn2(CoO4)2 | data_[Li3Mn2Co2O8]
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 0.6483
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0321]
_cell_length_b [5.0921... |
Generated_28986 | Ba3MnN3 | data_[Ba12Mn4N12]
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 0.6483
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2385]
_cell_length_b [5.6599]
_cell_length_c [9.8511]
_c... |
Generated_33001 | Cs2InCuCl6 | data_[Cs8In4Cu4Cl24]
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
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7909]
_cell_length_b [... |
Generated_24307 | Cs | data_[Cs4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7092]
_cell_length_b [6.7092]
_cell_length_c [9.6500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_25887 | Nd | 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 [5.0186]
_cell_length_b [5.0186]
_cell_length_c [5.0186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_3286 | BaCaNbFeO6 | data_[Ba4Ca4Nb4Fe4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
Generated_32732 | CaMg | data_[Ca4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3801]
_cell_length_b [12.7908]
_cell_length_c [4.6397]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_36211 | Gd2FeGe4 | data_[Gd4Fe2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1624]
_cell_length_b [4.1621]
_cell_length_c [15.3738]
_c... |
Generated_37348 | SmTlS2 | data_[Sm3Tl3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1823]
_cell_length_b [4.1823]
_cell_length_c [20.1207]
_cel... |
Generated_7550 | Cs2KYBr6 | data_[Cs8K4Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3392]
_cell_length_b [12.3... |
Generated_24283 | CaCdAu2 | data_[Ca4Cd4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0075]
_cell_length_b [7.0075]
_cell_length_c [7.0075]
_c... |
Generated_12742 | Ca | data_[Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [4.6575]
_cell_length_b [4.6575]
_cell_length_c [4.6575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_21430 | Ce2B2IO2 | data_[Ce4B4I2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9287]
_cell_length_b [3.9287]... |
Generated_1928 | Y12Fe6Pb | data_[Y24Fe12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.4049]
_cell_length_b [9.4049]
_cell_length_c [9.4049]
_ce... |
Generated_41918 | Ba2AgAu | data_[Ba8Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0461]
_cell_length_b [8.0461]
_cell_length_c [8.0461]
_c... |
Generated_1752 | ScSiIr | data_[Sc4Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5722]
_cell_length_b [4.1812]
_cell_length_c [7.2040]
_ce... |
Generated_18198 | MgTi | data_[Mg1Ti1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0577]
_cell_length_b [3.0577]
_cell_length_c [3.0577]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_38115 | TmAgPb | data_[Tm2Ag2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8458]
_cell_length_b [4.8458]
_cell_length_c [7.4714]
_... |
Generated_19199 | CaMgSn | data_[Ca4Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6283]
_cell_length_b [4.6283]
_cell_length_c [17.4013... |
Generated_5925 | DyZnIn | data_[Dy2Zn2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7955]
_cell_length_b [4.7955]
_cell_length_c [7.4863]... |
Generated_12089 | SrCu | data_[Sr1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8493]
_cell_length_b [3.8493]
_cell_length_c [3.8493]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_3466 | LiIn | data_[Li3In3]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2798]
_cell_length_b [3.2798]
_cell_length_c [16.9904]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_25428 | K | data_[K2]
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 [P6_3/mmc]
_cell_length_a [5.3830]
_cell_length_b [5.3830]
_cell_length_c [6.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_31906 | K2NaAlF6 | data_[K8Na4Al4F24]
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
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5543]
_cell_length_b [8.554... |
Generated_31766 | LiMnO2 | data_[Li8Mn8O16]
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 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1264]
_cell_length_b [5.8283]
_cell_length_c [5.8135]
_ce... |
Generated_38782 | MnO | data_[Mn4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.0255]
_cell_length_b [4.0255]
_cell_length_c [4.0255]
_cell_angle_alpha [90.0000]
_cell_an... |
Generated_4731 | Ba2LiLu | data_[Ba8Li4Lu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0208]
_cell_length_b [8.0208]
_cell_length_c [8.0208]
_c... |
Generated_26107 | Mn2ZnO4 | data_[Mn16Zn8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.8554]
_cell_length_b [8.8554]
_cell_length_c [8.8554]
_c... |
Generated_18163 | Eu | data_[Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9490]
_cell_length_b [3.9490]
_cell_length_c [5.2887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_39880 | Sm | data_[Sm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0057]
_cell_length_b [5.0057]
_cell_length_c [5.0057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_30926 | K3AlF6 | data_[K12Al4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2586]
_cell_length_b [9.2586]
_cell_length_c [9.2586]
_cel... |
Generated_24553 | Sc2FeC4 | data_[Sc8Fe4C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2075]
_cell_length_b [9.7718]
_cell_length_c [4.9484]
_cel... |
Generated_38641 | SrMg | data_[Sr4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5221]
_cell_length_b [5.4948]
_cell_length_c [6.7423]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_3806 | Ho | data_[Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5884]
_cell_length_b [3.5884]
_cell_length_c [5.7543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_41410 | Na3Fe2NiO6 | data_[Na6Fe4Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [C2/m]
_cell_length_a [12.8663]
_cell_length_b [2.9... |
Generated_13900 | NaYb2In | data_[Na4Yb8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7310]
_cell_length_b [7.7310]
_cell_length_c [7.7310]
_c... |
Generated_33033 | Na | data_[Na8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1393]
_cell_length_b [5.2231]
_cell_length_c [8.8890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1222]
_cell_angle... |
Generated_44960 | Eu | data_[Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9031]
_cell_length_b [3.9031]
_cell_length_c [6.5667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_10039 | LuCu2 | data_[Lu4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4015]
_cell_length_b [6.6859]
_cell_length_c [7.3232]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_42452 | Eu2MnNiO6 | data_[Eu4Mn2Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4530]
_cell_length_b [5.... |
Generated_40729 | VH2 | data_[V2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.3831]
_cell_length_b [4.2713]
_cell_length_c [2.9777]
_cell_angle_alpha [90.0000]
_cell_angle... |
Generated_9813 | La(P3Os)4 | data_[La2P24Os8]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.8931]
_cell_length_b [8.8931]
_cell_length_c [8.8931]
_cel... |
Generated_23868 | Y2Sn | data_[Y4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3232]
_cell_length_b [5.3232]
_cell_length_c [6.6530]
_cell_angle_alpha [90.0000]
_cell... |
Generated_17957 | Yb | data_[Yb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0831]
_cell_length_b [5.0831]
_cell_length_c [5.0831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_4948 | ErAl | data_[Er8Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.5399]
_cell_length_b [11.6097]
_cell_length_c [5.6837]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_18719 | NdInPt | data_[Nd4In4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6574]
_cell_length_b [4.6559]
_cell_length_c [8.1679]
_ce... |
Generated_16232 | LuMgCu2 | data_[Lu4Mg4Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4458]
_cell_length_b [6.4458]
_cell_length_c [6.4458]
_c... |
Generated_7005 | TiSi | data_[Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5338]
_cell_length_b [3.5338]
_cell_length_c [5.1425]
_cell_angle_alpha [90.0000]
_cell... |
Generated_20315 | La | data_[La4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0256]
_cell_length_b [5.0256]
_cell_length_c [5.0256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_41865 | ErNi4Sn | data_[Er4Ni16Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9593]
_cell_length_b [6.9593]
_cell_length_c [6.9593]
_... |
Generated_14915 | Sm | data_[Sm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5822]
_cell_length_b [3.5822]
_cell_length_c [5.7405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_29952 | BaSr | data_[Ba2Sr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0744]
_cell_length_b [8.5614]
_cell_length_c [5.3732]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_1303 | MnH2 | data_[Mn2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [3.2998]
_cell_length_b [3.2998]
_cell_length_c [3.6190]
_cell_angle_alpha [90.0000]
_cell... |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 28