material_id stringlengths 4 18 | formula_reduced stringlengths 1 19 | CIF stringlengths 761 4.04k |
|---|---|---|
alex<agm004876089> | RbMn2CoCl8 | [P-1_sg]
data_[Rb1Mn2Co1Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2065]
_cell_lengt... |
alex<agm005062217> | VZnNiO4 | [Imma_sg]
data_[V4Zn4Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8932]
_cell_length... |
alex<agm003572359> | Pr3BiS6 | [Cmc2_1_sg]
data_[Pr12Bi4S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0439]
_cell_length_b [13.8879]
_cell_lengt... |
alex<agm003378405> | Dy4Er3Te4 | [Immm_sg]
data_[Dy8Er6Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8761]
_cell_length_b [9.1634]
_cell_length_c [1... |
mp-2571 | Rb2O3 | [I-43d_sg]
data_[Rb16O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.3832]
_cell_length_b [9.3832]
_cell_length_c [9.3832]
_cell_angle_alpha [90.0... |
mp-559653 | SrCa(CO3)2 | [Pmc2_1_sg]
data_[Sr2Ca2C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.3133]
_cell_le... |
alex<agm001193970> | Hf5Rh | [Cmmm_sg]
data_[Hf10Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8999]
_cell_length_b [15.0474]
_cell_length_c [3.3531]
_cell_angle_alpha [90.0... |
alex<agm003381277> | Tl3(HgPb)4 | [Amm2_sg]
data_[Tl6Hg8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.8028]
_cell_length_b [5.4099]
_cell_length_c [1... |
alex<agm004506045> | Er3Al3In2Co | [P-62m_sg]
data_[Er3Al3In2Co1]
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
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1365]
_cell_l... |
alex<agm004512241> | Pr2Ge4Ir3Rh | [P-4m2_sg]
data_[Pr2Ge4Ir3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2933]
_cell_l... |
alex<agm003587560> | NdHo3Al8 | [R3m_sg]
data_[Nd3Ho9Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5737]
_cell_length_b [5.5737]
_cell_length_c [27... |
alex<agm002927838> | Cs2KRb2 | [I4/mmm_sg]
data_[Cs4K2Rb4]
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
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2416]
_cell_length_b [6.2416]
_cell_length_c ... |
oqmd-9737761 | CaO3Te | data_[Ca20Te20O60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_3]
_cell_length_a [11.9822]
_cell_length_b [11.9822]
_cell_length_c [11.0086]... |
alex<agm003286493> | Rb2Tl17 | [R-3m_sg]
data_[Rb6Tl51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5279]
_cell_length_b [11.5279]
_cell_length_c [17.2832]
_cell_angle_alpha [90... |
alex<agm004534030> | Ce2AlGa3Pd4 | [P-4m2_sg]
data_[Ce2Al1Ga3Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2762]
_cell_l... |
mp-975812 | PrSm3 | [I4/mmm_sg]
data_[Pr2Sm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1496]
_cell_length_b [5.1496]
_cell_length_c [10.3187]
_cell_angle_alpha [9... |
alex<agm004794661> | CaZn(CdAu2)2 | [R-3m_sg]
data_[Ca3Zn3Cd6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8403]
_cell_le... |
alex<agm002240136> | YbCuSi2 | [Cmcm_sg]
data_[Yb4Cu4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0615]
_cell_length_b [17.5284]
_cell_length_c [... |
mp-1201887 | O2Si | data_[Si24O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6/mcc]
_cell_length_a [13.9327]
_cell_length_b [13.9327]
_cell_length_c [8.6193]
_cell_angle_alpha [90.0000]
_ce... |
alex<agm003485320> | Cs2Hg6Pt | [P-3m1_sg]
data_[Cs2Hg6Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3814]
_cell_length_b [7.3814]
_cell_length_c ... |
mp-1080864 | CeSe2 | data_[Ce12Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P622]
_cell_length_a [21.3459]
_cell_length_b [21.3459]
_cell_length_c [6.1009]
_cell_angle_alpha [90.0000]
_ce... |
alex<agm003339522> | Ba3(Ga2Rh)2 | [C2/m_sg]
data_[Ba6Ga8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2657]
_cell_length_b [4.6448]
_cell_length_c [... |
alex<agm004664592> | Cs3Ba(AsO3)2 | [P-3m1_sg]
data_[Cs3Ba1As2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5704]
_cell_len... |
alex<agm004523610> | Y2MgAs3Rh4 | [P-4m2_sg]
data_[Y2Mg1As3Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0349]
_cell_len... |
alex<agm003438107> | Pr2ScZn3 | [P4/mmm_sg]
data_[Pr2Sc1Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5376]
_cell_length_b [3.5376]
_cell_length_... |
alex<agm002319066> | Dy2SiRu3 | [P6_3/mmc_sg]
data_[Dy4Si2Ru6]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4798]
_cell_length_b [5.4798]
_cell_len... |
oqmd-2036835 | RbSn | data_[Rb32Sn32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [11.8050]
_cell_length_b [11.8050]
_cell_length_c [19.3374]
_cell_angle_alpha [90.0000... |
alex<agm004525230> | Ca2CdSb3Rh4 | [P-4m2_sg]
data_[Ca2Cd1Sb3Rh4]
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
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3860]
_cell_l... |
alex<agm004872965> | Mg2AlAgS4 | [I-42m_sg]
data_[Mg4Al2Ag2S8]
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
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7529]
_cell_len... |
oqmd-8519066 | Li2O6RhTe | data_[Li4Te2Rh2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnn2]
_cell_length_a [4.8149]
_cell_length_b [5.17... |
alex<agm002352825> | RuI3 | [R-3_sg]
data_[Ru6I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.0042]
_cell_length_b [7.0042]
_cell_length_c [20.7644]
_cell_angle_alpha [90.0000]... |
mp-1213028 | ErMn6(Sn2Ge)2 | [P6/mmm_sg]
data_[Er1Mn6Sn4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3464]
_cell... |
oqmd-9994667 | B4ClNa3O7 | data_[Na18B24Cl6O42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_522]
_cell_length_a [7.8862]
_cell_length_b [7.... |
alex<agm004922985> | Ba2NiIO6 | [Fm-3m_sg]
data_[Ba8Ni4I4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2869]
_cell_leng... |
oqmd-3727826 | AgLaOSe | data_[La4Ag4Se4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [5.8280]
_cell_length_b [9.436... |
alex<agm001022005> | CdSbN | [P1_sg]
data_[Cd2Sb2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4152]
_cell_length_b [5.7344]
_cell_length_c [11.0111... |
alex<agm004633609> | Tb3Pr(Y3Er)2 | [C2/m_sg]
data_[Tb6Pr2Y12Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2036]
_cell_leng... |
alex<agm004714364> | Pr8Si3SeBr4 | [R-3m_sg]
data_[Pr24Si9Se3Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5966]
_cell_l... |
agm005671171 | GeMoSc | data_[Sc4Ge4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [7.2317]
_cell_length_b [7.2317]
_cell_length_c [4.5198]
_... |
alex<agm003434176> | Ho2TmCu3 | [P4/mmm_sg]
data_[Ho2Tm1Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4140]
_cell_length_b [3.4140]
_cell_length_... |
alex<agm002134791> | CeAlGe2 | [P-3m1_sg]
data_[Ce2Al2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3122]
_cell_length_b [4.3122]
_cell_length_c ... |
alex<agm004735240> | La8ZnOs3I4 | [R-3m_sg]
data_[La24Zn3Os9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5815]
_cell_len... |
alex<agm003644482> | Pr5GaAu4 | [P4/mmm_sg]
data_[Pr5Ga1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7831]
_cell_length_b [3.7831]
_cell_length_... |
alex<agm003523776> | As2AuCl8 | [C2/m_sg]
data_[As4Au2Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8049]
_cell_length_b [9.0359]
_cell_length_c ... |
alex<agm003648903> | Al5Fe4Pd | [P4/mmm_sg]
data_[Al5Fe4Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9193]
_cell_length_b [2.9193]
_cell_length_... |
alex<agm001378915> | LiDyScIn | [F-43m_sg]
data_[Li4Dy4Sc4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2622]
_cell_l... |
alex<agm003135728> | RbTeI3 | [P1_sg]
data_[Rb2Te2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0795]
_cell_length_b [8.7480]
_cell_length_c [9.5869]... |
alex<agm005213617> | PrHoHgTe | [R3m_sg]
data_[Pr3Ho3Hg3Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2458]
_cell_lengt... |
alex<agm002294287> | NaCeI3 | [P-6c2_sg]
data_[Na2Ce2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [8.0630]
_cell_length_b [8.0630]
_cell_length_c [7... |
alex<agm003419554> | Dy3MgAl2 | [P4/mmm_sg]
data_[Dy3Mg1Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6323]
_cell_length_b [3.6323]
_cell_length_... |
alex<agm002190884> | TiAu3 | [P6_3/mmc_sg]
data_[Ti2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9289]
_cell_length_b [5.9289]
_cell_length_c [4.6599]
_cell_angle_alpha... |
alex<agm004743717> | Li2YCdHg2 | [P-3m1_sg]
data_[Li2Y1Cd1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7586]
_cell_len... |
oqmd-7669840 | Ir2Si | data_[Si10Ir20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/n]
_cell_length_a [8.9171]
_cell_length_b [8.9171]
_cell_length_c [5.7094]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-5970012 | AgCl6Ta | data_[Ta2Ag2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.8749]
_cell_length_b [5.8749]
_cell_length_c [11.438... |
mp-558380 | Cr2F5 | [C2/c_sg]
data_[Cr8F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0243]
_cell_length_b [7.6234]
_cell_length_c [7.3126]
_cell_angle_alpha [90.0000... |
alex<agm004544630> | K2P2Pd2Pt | [C2/m_sg]
data_[K4P4Pd4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9263]
_cell_length... |
alex<agm004600981> | Na3Dy2YTe6 | [C2/m_sg]
data_[Na6Dy4Y2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6685]
_cell_leng... |
alex<agm004598381> | Y6Si2PSe3 | [C2/m_sg]
data_[Y12Si4P2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9159]
_cell_lengt... |
alex<agm004733596> | Cs4Tb3DyTe8 | [R-3m_sg]
data_[Cs12Tb9Dy3Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1323]
_cell_l... |
alex<agm003576114> | Zn3Ga6Ag | [Cmc2_1_sg]
data_[Zn12Ga24Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0128]
_cell_length_b [15.6195]
_cell_leng... |
alex<agm004761315> | K2LiSbO4 | [I-4_sg]
data_[K4Li2Sb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9015]
_cell_length_b ... |
alex<agm004955109> | TlAg2RhBr6 | [R-3_sg]
data_[Tl3Ag6Rh3Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.0874]
_cell_leng... |
alex<agm001213425> | SmErMg2 | [P4/mmm_sg]
data_[Sm1Er1Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3789]
_cell_length_b [5.3789]
_cell_length_... |
alex<agm003588957> | Tb4Ga12Ir | [Im-3m_sg]
data_[Tb8Ga24Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6562]
_cell_length_b [8.6562]
_cell_length_c... |
alex<agm004676873> | Rb3LiMg2F9 | [P-3m1_sg]
data_[Rb3Li1Mg2F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8606]
_cell_len... |
alex<agm003013664> | Sc2TlHg2 | [P4/mbm_sg]
data_[Sc4Tl2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1364]
_cell_length_b [8.1364]
_cell_length_... |
mp-1215412 | Zr2(ZnGa)3 | [Pmmm_sg]
data_[Zr2Zn3Ga3]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0382]
_cell_length_b [4.0625]
_cell_length_c [8... |
alex<agm005062411> | LiMgNbO4 | [Imma_sg]
data_[Li4Mg4Nb4O16]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0710]
_cell_leng... |
agm005224679 | CrN5O15 | data_[Cr3N15O45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [11.2607]
_cell_length_b [11.2607]
_cell_length_c [9.7458]
_... |
alex<agm002276693> | Cd2GaPd | [P6_3/mmc_sg]
data_[Cd4Ga2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4955]
_cell_length_b [4.4955]
_cell_len... |
alex<agm005190680> | PrSmAsSe | [R3m_sg]
data_[Pr3Sm3As3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2386]
_cell_lengt... |
alex<agm003311572> | Pr2Nd3Pd2 | [C2/m_sg]
data_[Pr4Nd6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7317]
_cell_length_b [3.8669]
_cell_length_c [... |
alex<agm005004548> | RbInBiPb2 | [Imm2_sg]
data_[Rb2In2Bi2Pb4]
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
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.2048]
_cell_len... |
alex<agm003506381> | K2Cd6Pd | [P-3m1_sg]
data_[K2Cd6Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6436]
_cell_length_b [6.6436]
_cell_length_c [6... |
alex<agm004963613> | BaIn2PbCl6 | [R3_sg]
data_[Ba3In6Pb3Cl18]
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
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9911]
_cell_length... |
alex<agm001145711> | LaLu2Sc | [P4/mmm_sg]
data_[La1Lu2Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8943]
_cell_length_b [3.8943]
_cell_length_... |
mp-8361 | CsTe | [Pbam_sg]
data_[Cs4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.3234]
_cell_length_b [11.8224]
_cell_length_c [5.1041]
_cell_angle_alpha [90.00... |
alex<agm002362606> | PrInF6 | [Fm-3m_sg]
data_[Pr4In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8421]
_cell_length_b [8.8421]
_cell_length_c [... |
alex<agm003372948> | Sm2(CuPt)5 | [Pmmm_sg]
data_[Sm2Cu5Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3556]
_cell_length_b [5.1236]
_cell_length_c [9... |
alex<agm004927339> | Rb2CrCuF6 | [I4/mmm_sg]
data_[Rb4Cr2Cu2F12]
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
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2822]
_cell_... |
alex<agm004809046> | LaDy(HoIn2)2 | [R-3m_sg]
data_[La3Dy3Ho6In12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3830]
_cell_le... |
alex<agm004811819> | Rb2CePbO4 | [P2/m_sg]
data_[Rb2Ce1Pb1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4400]
_cell_lengt... |
alex<agm003175622> | La2HgCl | [P4/mmm_sg]
data_[La2Hg1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4041]
_cell_length_b [4.4041]
_cell_length_... |
alex<agm001269615> | BiPbAu | [P3m1_sg]
data_[Bi1Pb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6886]
_cell_length_b [4.6886]
_cell_length_c [4... |
alex<agm003329791> | Ho2(MgIn)3 | [Pmmm_sg]
data_[Ho2Mg3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5894]
_cell_length_b [4.6730]
_cell_length_c [9... |
alex<agm001105780> | Gd3BiH | [Pm-3m_sg]
data_[Gd3Bi1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9289]
_cell_length_b [4.9289]
_cell_length_c [4... |
alex<agm002324867> | Sm3ZnPd2 | [P4/mmm_sg]
data_[Sm3Zn1Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6276]
_cell_length_b [3.6276]
_cell_length_... |
alex<agm002147086> | YCuBi2 | [P4/nmm_sg]
data_[Y2Cu2Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5407]
_cell_length_b [4.5407]
_cell_length_c ... |
agm005910899 | Cu2F8Tl | data_[Tl2Cu4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.4397]
_cell_length_b [5.4397]
_cell_length_c [10.1079]
_ce... |
alex<agm004954654> | Cs2AsBrF6 | [R-3m_sg]
data_[Cs12As6Br6F36]
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
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6014]
_cell_len... |
alex<agm004948671> | Cd2FeSbO6 | [P2_1/c_sg]
data_[Cd4Fe2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4524]
_cell_... |
alex<agm003553316> | Dy4SiPd3 | [Pmm2_sg]
data_[Dy4Si1Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9673]
_cell_length_b [4.2472]
_cell_length_c [1... |
alex<agm004604019> | Tb6Te2AsSe3 | [C2/m_sg]
data_[Tb12Te4As2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3338]
_cell_l... |
alex<agm003174461> | LiCd2In | [P4mm_sg]
data_[Li1Cd2In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1012]
_cell_length_b [3.1012]
_cell_length_c [9... |
alex<agm003407981> | Dy2YTm3 | [C2/m_sg]
data_[Dy8Y4Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8094]
_cell_length_b [3.6080]
_cell_length_c [1... |
alex<agm004452079> | PtW | [Amm2_sg]
data_[Pt6W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5219]
_cell_length_b [8.5183]
_cell_length_c [4.8927]
_cell_angle_alpha [90.0000]... |
alex<agm003330648> | Mg3Ni2Sn3 | [Cmcm_sg]
data_[Mg12Ni8Sn12]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2482]
_cell_length_b [9.9458]
_cell_length_c ... |
alex<agm004676916> | Rb3NaV2F9 | [P-3m1_sg]
data_[Rb3Na1V2F9]
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
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0545]
_cell_lengt... |
alex<agm003174538> | CdInPb2 | [Pmm2_sg]
data_[Cd1In1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8103]
_cell_length_b [4.5298]
_cell_length_c [6... |
alex<agm005066908> | TlCoAgBr5 | [C2/c_sg]
data_[Tl4Co4Ag4Br20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5388]
_cell_le... |
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