Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004609436 | Pm6S3Sb2Te | data_[Pm12Sb4Te2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6541]
_cell_length_b [4.2... |
agm001413927 | LiPmS | data_[Li1Pm1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9698]
_cell_length_b [3.9698]
_cell_length_c [4.0761]
_cel... |
agm004207583 | Br2RuTa | data_[Ta2Ru2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.2139]
_cell_length_b [5.2139]
_cell_length_c [5.4350]
_c... |
agm001424057 | CoNaSeTi2 | data_[Na1Ti2Co1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7511]
_cell_length_b [4... |
agm003595375 | Li4Si4Tm | data_[Li8Tm2Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.9013]
_cell_length_b [5.9013]
_cell_length_c [8.4838]... |
agm003559530 | GeLa4Te3 | data_[La8Ge2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.1625]
_cell_length_b [12.8917]
_cell_length_c [4.5313]
_c... |
agm003560328 | K3Te4Zr | data_[K6Zr2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.5555]
_cell_length_b [13.4666]
_cell_length_c [4.2516]
_ce... |
agm003010319 | CdIn2Rh2 | data_[Cd2In4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5990]
_cell_length_b [7.5990]
_cell_length_c [3.2205]
_... |
agm003790727 | BeCaW2 | data_[Ca2Be2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4814]
_cell_length_b [9.8364]
_cell_length_c [2.7258]
_cell... |
agm005987808 | Br5KPu2 | data_[K2Pu4Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4070]
_cell_length_b [7.5767]
_cell_length_c [15.6335]
_ce... |
oqmd-3716113 | KO | data_[K4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3959]
_cell_length_b [5.3959]
_cell_length_c [5.3959]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm005085729 | BaBr6InTm | data_[Ba2Tm2In2Br12]
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
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.9232]
_cell_length_b [7... |
oqmd-4617220 | InTbTe3Zn | data_[Tb4Zn4In4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3427]
_cell_length_b [15... |
agm005829948 | Nd3PrRh2 | data_[Pr4Nd12Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2142]
_cell_length_b [6.8948]
_cell_length_c [7.7936]
_... |
agm001404803 | EuInLaPr | data_[La4Pr4Eu4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0562]
_cell_length_b [8.... |
agm005892510 | Cu3GaPd12 | data_[Ga1Cu3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9037]
_cell_length_b [3.9037]
_cell_length_c [15.5436]... |
agm001073087 | NiTa2W4 | data_[Ta4Ni2W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4669]
_cell_length_b [4.4669]
_cell_length_c [13.1984]
_c... |
agm005104512 | ClO2Pa | data_[Pa3Cl3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7720]
_cell_length_b [3.7720]
_cell_length_c [16.2599]
_cell... |
agm2000087096 | As2Cr2Se | data_[Cr4As4Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.6489]
_cell_length_b [5.8688]
_cell_length_c [18.5685]
_c... |
oqmd-8187834 | N2OSbTb | data_[Tb4Sb4N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9717]
_cell_length_b [7.9688]... |
agm003850764 | HgLa2Sc | data_[La8Sc4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6659]
_cell_length_b [7.6659]
_cell_length_c [7.6659]
_c... |
agm003688569 | Ce12RhRu6 | data_[Ce36Ru18Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0804]
_cell_length_b [12.0804]
_cell_length_c [12.0077]... |
agm004616259 | La3Pm2PuTe6 | data_[La6Pm4Pu2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6977]
_cell_length_b [4... |
agm003793911 | AsAu2Os | data_[As1Os1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8925]
_cell_length_b [5.0815]
_cell_length_c [4.8479]
_ce... |
agm001136148 | GaPaZn2 | data_[Pa1Zn2Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3028]
_cell_length_b [3.3028]
_cell_length_c [6.9187]
_... |
agm003097618 | AgBiMg | data_[Mg4Ag4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5445]
_cell_length_b [6.4306]
_cell_length_c [12.4340]
_c... |
agm001185680 | Au4PtTb | data_[Tb4Pt4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7628]
_cell_length_b [7.7628]
_cell_length_c [7.7628]
_... |
agm002738727 | Cl2CoSi | data_[Co4Si4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4574]
_cell_length_b [6.4574]
_cell_length_c [6.4574]
_c... |
agm002201040 | AlBPt | data_[Al16B16Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [6.6035]
_cell_length_b [14.7565]
_cell_length_c [6.7340]
_... |
agm005436992 | MoPt4Tc | data_[Tc4Mo4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3196]
_cell_length_b [7.3196]
_cell_length_c [7.3196]
_... |
agm003562130 | AgCa3Tl4 | data_[Ca6Tl8Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6554]
_cell_length_b [6.7091]
_cell_length_c [19.3633]
_c... |
agm003715090 | BiKO3 | data_[K2Bi2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7315]
_cell_length_b [5.6229]
_cell_length_c [7.6984]
_cell_a... |
agm001070128 | Mn4Nb2Pt | data_[Mn8Nb4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6738]
_cell_length_b [4.6738]
_cell_length_c [13.0464]
... |
agm002634339 | AlBa2Ni | data_[Ba8Al4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9915]
_cell_length_b [7.9915]
_cell_length_c [7.9915]
_c... |
agm004894265 | CsNiSe8W2 | data_[Cs3Ni3W6Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.4217]
_cell_length_b [6.421... |
oqmd-9437934 | AuCsGa | data_[Cs8Ga8Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.0778]
_cell_length_b [8.5660]
_cell_length_c [8.5563]
_c... |
agm005231696 | B2Bi2O7 | data_[Bi4B4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6638]
_cell_length_b [8.4302]
_cell_length_c [9.0605]
_cell_a... |
agm001286479 | AgErGePd | data_[Er4Ag4Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7236]
_cell_length_b [6.... |
agm003974962 | Cl2SbY | data_[Y1Sb1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2848]
_cell_length_b [3.2848]
_cell_length_c [11.2526]
_c... |
agm005849950 | LaMoO4 | data_[La4Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8389]
_cell_length_b [8.8966]
_cell_length_c [7.9379]
_c... |
agm005097696 | CdCl6MgRb | data_[Rb1Mg1Cd1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.6783]
_cell_length_b [6.6... |
oqmd-8714910 | HfNaRbTe3 | data_[Rb2Na2Hf2Te6]
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
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1726]
_cell_length_b [4... |
agm002206952 | CoCr2Mo | data_[Cr8Co4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8747]
_cell_length_b [5.8747]
_cell_length_c [5.8747]
_c... |
agm004522255 | InIr4Pm2Si3 | data_[Pm2In1Si3Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1976]
_cell_length_b [4.... |
agm004673120 | KO9Rb3Re2 | data_[K1Rb3Re2O9]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9202]
_cell_length_b [5.9202... |
agm003792135 | AsLa2Os | data_[La2As1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7723]
_cell_length_b [3.7723]
_cell_length_c [6.8060]
_... |
agm005040601 | BaCeInN3 | data_[Ba2Ce2In2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9562]
_cell_length_b [3.6... |
agm001150764 | Hf2MoRe | data_[Hf2Re1Mo1]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2880]
_cell_length_b [3.2880]
_cell_length_c [6.6272]
_... |
agm004809781 | Hg4Ho2LaTb | data_[La3Tb3Ho6Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3128]
_cell_length_b [5.... |
agm003486769 | Er6Pm2Tl | data_[Pm4Er12Tl2]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4874]
_cell_length_b [10.1334]
_cell_length_c [15.8251]
... |
oqmd-9142169 | C3Ge3Lu4Mo2 | data_[Lu16Ge12Mo8C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9893]
_cell_length_b [5.... |
oqmd-3911084 | Ag2LuMn | data_[Lu4Mn4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7178]
_cell_length_b [6.7178]
_cell_length_c [6.7178]
_c... |
agm004625309 | Dy2Na3O6Tl | data_[Na6Dy4Tl2O12]
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
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9088]
_cell_length_b [10.2... |
agm004060976 | As2SrTc | data_[Sr2Tc2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.1449]
_cell_length_b [7.4564]
_cell_length_c [3.6330]
_ce... |
agm003535433 | Cu8InZn2 | data_[Zn4In2Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4674]
_cell_length_b [5.1923]
_cell_length_c [13.0554]
_... |
agm004838941 | As4Dy2PuZr | data_[Dy2Pu1Zr1As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0099]
_cell_length_b [4.0... |
agm004724141 | CaCe3Pr4Se8 | data_[Ca3Ce9Pr12Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4720]
_cell_length_b [8... |
agm003697764 | Ag6Au8In | data_[In3Ag18Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4860]
_cell_length_b [8.4860]
_cell_length_c [14.0699]
_... |
agm002422745 | BeHf3Nb | data_[Hf3Be1Nb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0253]
_cell_length_b [5.0253]
_cell_length_c [5.0253]
_c... |
oqmd-5098601 | Ge14MnSi17 | data_[Mn1Si17Ge14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5977]
_cell_length_b [3.9471]
_cell_length_c [31.5682]
_c... |
oqmd-7487136 | BiCeKS3 | data_[K4Ce4Bi4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3641]
_cell_length_b [15.297... |
agm004615170 | HoSr3Tb2Te6 | data_[Sr6Tb4Ho2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7806]
_cell_length_b [13... |
oqmd-9426130 | Ag5ErY4 | data_[Y4Er1Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6160]
_cell_length_b [3.6160]
_cell_length_c [18.1833]
_c... |
agm004884480 | B2CdO8Pu | data_[Pu2Cd2B4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Cd 1.6900 1.5500 1.0900
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2751]
_cell_length_b [5.3573... |
agm005919677 | Hg8Pb2Pu | data_[Pu2Hg16Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4672]
_cell_length_b [6.0177]
_cell_length_c [5.9852]
_... |
agm003355340 | Pm2S8Tm3 | data_[Pm4Tm6S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7596]
_cell_length_b [7.9321]
_cell_length_c [6.6776]
_ce... |
oqmd-8700718 | BFeMn2 | data_[Mn4Fe2B2]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7191]
_cell_length_b [2.7191]
_cell_length_c [13.2869]
... |
agm001263436 | CdLaTh | data_[La1Th1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3637]
_cell_length_b [5.3637]
_cell_length_c [3.6156]
_ce... |
agm003954661 | AsHg2Ta | data_[Ta1Hg2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2320]
_cell_length_b [5.2320]
_cell_length_c [3.0114]
_... |
agm1000002536 | PSc | data_[Sc1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [16.2669]
_cell_length_b [2.4346]
_cell_length_c [16.2669]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm002716705 | OSb2Tc | data_[Tc4Sb8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5518]
_cell_length_b [6.5518]
_cell_length_c [6.5518]
_cel... |
agm2000139411 | I4NdTb | data_[Tb2Nd2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.4383]
_cell_length_b [4.1770]
_cell_length_c [19.4324]
_... |
agm001425470 | CuFe2SeSr | data_[Sr1Fe2Cu1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9964]
_cell_length_b [4... |
agm001325061 | CdCeNiPm | data_[Ce4Pm4Cd4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3232]
_cell_length_b [7.... |
oqmd-4654335 | FeHoNaO3 | data_[Na4Ho4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5023]
_cell_length_b [11.0... |
agm001393283 | CaPaPbTl | data_[Ca4Pa4Tl4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7151]
_cell_length_b [7.... |
agm001389842 | AcLuPbSc | data_[Ac4Lu4Sc4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7371]
_cell_length_b [7.... |
agm004987336 | IrLa2O6Rh | data_[La4Ir2Rh2O12]
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
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7598]
_cell_length_b [5.4... |
agm2000120500 | Hg10Se7 | data_[Hg10Se7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [12.7354]
_cell_length_b [12.7354]
_cell_length_c [19.3981]
_cell_angle_alpha [90.0000]
_ce... |
agm003424204 | Ho3SnTm2 | data_[Ho6Tm4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3282]
_cell_length_b [3.5255]
_cell_length_c [12.0988]
... |
oqmd-4138216 | AgRb | data_[Rb1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6051]
_cell_length_b [4.6051]
_cell_length_c [4.6794]
_cell_angle_alpha [90.0000]
_cell_... |
agm2000143585 | Cl6HgU | data_[U1Hg1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.2265]
_cell_length_b [7.2265]
_cell_length_c [17.9341]
_cel... |
oqmd-9016689 | In3N3Ti2W4 | data_[Ti8In12W16N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4145]
_cell_length_b [5.45... |
mp-2713606 | In4Mg4Na6O48S11Si | data_[Na18Mg12In12Si3S33O144]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space... |
agm005798015 | BiDyF6 | data_[Dy3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2836]
_cell_length_b [6.2836]
_cell_length_c [15.5456]
_cel... |
agm003789058 | AgSb2Tc | data_[Tc2Ag2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0933]
_cell_length_b [4.0933]
_cell_length_c [9.7089]
_c... |
oqmd-8493757 | Hf2NSn | data_[Hf4Sn2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2570]
_cell_length_b [3.2570]
_cell_length_c [14.5473]
... |
agm001200741 | CdDy2Hg | data_[Dy2Cd1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2469]
_cell_length_b [5.2469]
_cell_length_c [3.7686]
_... |
agm001790426 | BBrSe2W | data_[B1W1Se2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5294]
_cell_length_b [4.529... |
agm005429587 | Li4MgTc | data_[Li16Mg4Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2029]
_cell_length_b [7.2029]
_cell_length_c [7.2029]
_... |
agm003633621 | AgCaPb2 | data_[Ca8Ag8Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9190]
_cell_length_b [10.5396]
_cell_length_c [18.2013]
... |
agm001988728 | La2PbTh | data_[La8Th4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0517]
_cell_length_b [8.0517]
_cell_length_c [8.0517]
_c... |
oqmd-2482565 | CoIrSbSc | data_[Sc4Co4Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4399]
_cell_length_b [6.... |
agm003716743 | Ce3HRu | data_[Ce12H4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1770]
_cell_length_b [5.2424]
_cell_length_c [7.3067]
_ce... |
agm005114321 | HoPbS2 | data_[Ho3Pb3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8519]
_cell_length_b [3.8519]
_cell_length_c [23.7729]
_cell... |
agm004977218 | CoF6Li2Rb | data_[Rb4Li8Co4F24]
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
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3954]
_cell_length_b [10.3... |
agm002225545 | InNa2Y | data_[Na4Y2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5303]
_cell_length_b [5.5303]
_cell_length_c [7.0255]
_ce... |
agm003665208 | Mg4Tb7Y | data_[Tb14Y2Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1206]
_cell_length_b [5.7448]
_cell_length_c [9.7097]
_ce... |
oqmd-3229331 | MnTlVZr | data_[Zr4Mn4Tl4V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5839]
_cell_length_b [6.58... |
agm002736583 | ReRh2Se | data_[Re4Rh8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2819]
_cell_length_b [6.2819]
_cell_length_c [6.2819]
_c... |
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