Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002791713 | As2LaZr | data_[La4Zr4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.5366]
_cell_length_b [6.5366]
_cell_length_c [12.3586]
_... |
agm004769038 | CaCs2Se4Sn | data_[Cs16Ca8Sn8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.7488]
_cell_length_b [1... |
agm002817753 | Co2ReTe | data_[Co8Re4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.5251]
_cell_length_b [5.5251]
_cell_length_c [10.5681]
_... |
agm001767849 | BrClNbS2 | data_[Nb1S2Br1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9524]
_cell_length_b [4.9... |
oqmd-4594131 | CdKSe3Y | data_[K4Y4Cd4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2402]
_cell_length_b [14.916... |
agm001336977 | AcNdSnTl | data_[Ac4Nd4Tl4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0157]
_cell_length_b [8.... |
agm002751747 | As2YZn | data_[Y4Zn4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9224]
_cell_length_b [6.9224]
_cell_length_c [6.9224]
_cel... |
agm003827213 | CaNiRu2 | data_[Ca2Ni2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1834]
_cell_length_b [4.1834]
_cell_length_c [7.1099]
_c... |
agm004697405 | Ag3Er3InTe8 | data_[Er9In3Ag9Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6534]
_cell_length_b [8.... |
agm004293712 | RuSeSi2 | data_[Si4Ru2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8681]
_cell_length_b [4.3247]
_cell_length_c [10.6848]
_c... |
mp-1196708 | Ge7N2O15 | data_[Ge28N8O60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8961]
_cell_length_b [7.5604]
_cell_length_c [15.1099]
_ce... |
agm005735888 | CeTbTm4 | data_[Tb2Ce2Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9914]
_cell_length_b [3.5263]
_cell_length_c [6.1134]
_c... |
agm2000033356 | ClCu | data_[Cu4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.0572]
_cell_length_b [18.7741]
_cell_length_c [6.6013]
_cell_angle_alpha [90.0000]
_cell_... |
agm005785452 | B2CeRe | data_[Ce4Re4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9477]
_cell_length_b [5.4051]
_cell_length_c [6.5388]
_cell... |
agm001634173 | Ca2CsHgIr | data_[Cs1Ca2Hg1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5842]
_cell_length_b [5... |
oqmd-3031105 | AgAuLaY | data_[La4Y4Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1470]
_cell_length_b [7.14... |
agm003540069 | Ba2Pd9Pm | data_[Ba6Pm3Pd27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pm 1.1300 1.8500 1.1100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4990]
_cell_length_b [5.4990]
_cell_length_c [28.0543]
_... |
agm002878791 | IRb2Ta | data_[Rb8Ta4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [13.3212]
_cell_length_b [13.3212]
_cell_length_c [5.4934]
_c... |
agm003532242 | As2HgNa8 | data_[Na16Hg2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9297]
_cell_length_b [8.4697]
_cell_length_c [13.7846]
_... |
agm004663978 | CaO6Se2Tl3 | data_[Ca1Tl3Se2O6]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0312]
_cell_length_b [6.03... |
agm004089704 | CoP2Re | data_[Co1Re1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.2255]
_cell_length_b [3.8169]
_cell_length_c [4.4900]
_cell... |
agm004203835 | Fe2NiRh | data_[Fe8Ni4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8621]
_cell_length_b [5.8621]
_cell_length_c [5.8621]
_c... |
agm2000144460 | Br6CuTl | data_[Tl1Cu1Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.8005]
_cell_length_b [6.8005]
_cell_length_c [18.0657]
_c... |
oqmd-6901232 | Al3Cu2Er2HoNi | data_[Ho2Er4Al6Cu4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm003409128 | Pm2Sm3Tb | data_[Tb2Pm4Sm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7772]
_cell_length_b [3.5855]
_cell_length_c [11.6805]
... |
agm005571308 | Br7Pb2Tl2 | data_[Tl4Pb4Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3781]
_cell_length_b [16.3773]
_cell_length_c [10.1205]
... |
oqmd-7681334 | Mo2N12Nd3W3 | data_[Nd24Mo16W24N96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.9476]
_cell_length_b [1... |
agm003806854 | CaLaTa2 | data_[Ca3La3Ta6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4061]
_cell_length_b [3.4061]
_cell_length_c [31.8107]
_ce... |
agm003398398 | AlDy2Nd2 | data_[Nd4Dy4Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2953]
_cell_length_b [4.2953]
_cell_length_c [17.6714]
... |
agm001536088 | AsHfLaP2 | data_[La1Hf1As1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9379]
_cell_length_b [4.9... |
agm003827704 | AuNiW2 | data_[Ni1W2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3156]
_cell_length_b [3.3156]
_cell_length_c [5.6514]
_ce... |
oqmd-2826397 | AlFePdW | data_[Al4Fe4Pd4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1348]
_cell_length_b [6.13... |
agm2000072524 | As2InTl4 | data_[Tl4In1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0836]
_cell_length_b [8.1738]
_cell_length_c [18.5457]
_c... |
oqmd-9845672 | Er3Tm | data_[Er12Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1199]
_cell_length_b [12.3322]
_cell_length_c [5.5297]
_cell_angle_alpha [90.0000]
_cell... |
agm003566040 | MnPd3Pt5 | data_[Mn4Pd12Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8932]
_cell_length_b [6.8932]
_cell_length_c [12.5288... |
agm001107816 | NPu3Zr | data_[Pu3Zr1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7769]
_cell_length_b [4.7769]
_cell_length_c [4.7769]
_cel... |
agm001286938 | GeLaNiPm | data_[La4Pm4Ni4Ge4]
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
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2587]
_cell_length_b [7.... |
agm001454353 | IrSc2SiTi | data_[Sc2Ti1Si1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9250]
_cell_length_b [4... |
agm005821177 | NO3Tc | data_[Tc4N4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9882]
_cell_length_b [5.8591]
_cell_length_c [8.0913]
_cel... |
agm2000078621 | As4In3Mg2 | data_[Mg2In3As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1828]
_cell_length_b [6.3429]
_cell_length_c [20.2728]
_cel... |
agm004342866 | AlSi2Zn | data_[Al1Zn1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6090]
_cell_length_b [4.5922]
_cell_length_c [5.3557]
_cell... |
agm002004341 | CLu2W | data_[Lu6W3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2576]
_cell_length_b [3.2576]
_cell_length_c [25.4515]
_cell_... |
agm001763454 | AgBaP2S | data_[Ba1Ag1P2S1]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8675]
_cell_length_b [4.867... |
agm003926926 | AgIr2Zr | data_[Zr2Ag2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1483]
_cell_length_b [4.1483]
_cell_length_c [7.8020]
_... |
agm005490385 | AgCdF2 | data_[Cd4Ag4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.5278]
_cell_length_b [5.5278]
_cell_length_c [10.5996]
_ce... |
agm001400770 | AlBaLaMg | data_[Ba4La4Mg4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0657]
_cell_length_b [8.... |
agm004632706 | DyPr2Sm6Y3 | data_[Pr4Sm12Dy2Y6]
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
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2787]
_cell_length_b [10.8... |
agm001141769 | Au2HoPa | data_[Ho1Pa1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4722]
_cell_length_b [3.4722]
_cell_length_c [7.6832]
_... |
agm001463854 | BiCdSi2Y | data_[Y1Cd1Si2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3791]
_cell_length_b [5.3... |
agm001453877 | BCrNaRh2 | data_[Na1Cr1B1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4278]
_cell_length_b [4.4... |
agm004540938 | Br2NdRb2Se2 | data_[Rb4Nd2Se4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6820]
_cell_length_b [5... |
agm006040954 | Ge2Mn4Nb | data_[Mn8Nb2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4580]
_cell_length_b [3.4580]
_cell_length_c [16.4390]
... |
agm004617801 | Ac6Cl3CoNi2 | data_[Ac12Co2Ni4Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3909]
_cell_length_b [12... |
agm003496034 | Au2Br6Na | data_[Na4Au8Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8442]
_cell_length_b [13.4111]
_cell_length_c [7.0712]
... |
agm006018228 | Ho3PrS4 | data_[Pr2Ho6S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.9822]
_cell_length_b [11.1558]
_cell_length_c [3.8926]
_cel... |
agm004754806 | Ir2Pm2TiZn | data_[Pm8Ti4Zn4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.7834]
_cell_length_b [13.... |
oqmd-6190617 | NNpOPt | data_[Np4Pt4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.4295]
_cell_length_b [6.688... |
agm004508576 | AlCo3Ge4Y2 | data_[Y2Al1Co3Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0364]
_cell_length_b [4.03... |
agm005196213 | ErHgPrSm | data_[Pr1Sm1Er1Hg1]
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
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6691]
_cell_length_b [3.6... |
agm001059575 | MnTcTm | data_[Tm4Mn4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.6483
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0086]
_cell_length_b [11.2263]
_cell_length_c [4.6821]
_c... |
agm001220150 | DyEuPr2 | data_[Pr2Eu1Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2405]
_cell_length_b [5.2405]
_cell_length_c [5.1864]
_... |
agm006047960 | Se8Th6Y | data_[Y4Th24Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8158]
_cell_length_b [11.8158]
_cell_length_c [11.8158]... |
agm003839827 | As2ScTe | data_[Sc2Te2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0995]
_cell_length_b [7.5748]
_cell_length_c [3.7345]
_ce... |
agm004966023 | Ba2H6LiPt | data_[Ba12Li6H36Pt6]
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
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7510]
_cell_length_b [5.7... |
agm005537562 | Pu6Rh5 | data_[Pu12Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7692]
_cell_length_b [6.4794]
_cell_length_c [15.2348]
_cell_angle_alpha [90.0000]
_cel... |
agm001541474 | Cd2CuPRe | data_[Cd2Cu1Re1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9360]
_cell_length_b [4.9... |
agm002372187 | FeGa5Pt | data_[Ga5Fe1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3702]
_cell_length_b [4.3702]
_cell_length_c [5.9973]
_... |
agm002972343 | CrHf2Mo2 | data_[Hf4Cr2Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.3343]
_cell_length_b [6.3343]
_cell_length_c [4.5385]
_... |
agm002030778 | BaVZr | data_[Ba2Zr2V2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2811]
_cell_length_b [5.4182]
_cell_length_c [9.7473]
_cell_a... |
agm001189212 | AcAgSb4 | data_[Ac4Ag4Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.9431]
_cell_length_b [8.9431]
_cell_length_c [8.9431]
_... |
agm005417970 | ClIn4 | data_[In8Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.4111]
_cell_length_b [7.4111]
_cell_length_c [5.0528]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001145285 | BiOsSc2 | data_[Sc2Bi1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2699]
_cell_length_b [3.2699]
_cell_length_c [8.0784]
_... |
agm001224973 | Pm2PuSi | data_[Pm2Pu1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7615]
_cell_length_b [4.7615]
_cell_length_c [4.4998]
_... |
agm001028420 | CeSeTl | data_[Ce6Tl6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3065]
_cell_length_b [5.3065]
_cell_length_c [21.1134]
_c... |
agm001538245 | AlIrMgSr2 | data_[Sr2Mg1Al1Ir1]
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
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0640]
_cell_length_b [6... |
agm005028113 | ErHoPrTm3 | data_[Pr4Ho4Er4Tm12]
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
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9997]
_cell_length_b [14... |
agm003591558 | Cd4LaPt4 | data_[La2Cd8Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.8880]
_cell_length_b [8.8880]
_cell_length_c [5.4304]
_... |
oqmd-3320641 | CoTlV2 | data_[Tl4V8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1932]
_cell_length_b [6.1932]
_cell_length_c [6.1932]
_cel... |
agm002271995 | Fe2YbZn3 | data_[Yb1Zn3Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1418]
_cell_length_b [5.1418]
_cell_length_c [4.1940]
_... |
agm004412824 | CrPtRh2 | data_[Cr2Pt2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0362]
_cell_length_b [2.7299]
_cell_length_c [4.6791]
_ce... |
agm003643291 | AgAu4Zn5 | data_[Zn5Ag1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2366]
_cell_length_b [3.2366]
_cell_length_c [15.4607]
... |
agm005711479 | Rh7Sc4Si6 | data_[Sc8Si12Rh14]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.0431]
_cell_length_b [8.0431]
_cell_length_c [8.0431]
... |
agm006074269 | Nd4PrTe7 | data_[Pr2Nd8Te14]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7864]
_cell_length_b [4.3737]
_cell_length_c [13.5370]
_c... |
agm001325280 | CdGaGdPd | data_[Gd4Cd4Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [F-43m]
_cell_length_a [6.8747]
_cell_length_b [6.... |
oqmd-2049086 | Cr2O5Zn2 | data_[Zn2Cr2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5383]
_cell_length_b [3.5383]
_cell_length_c [7.9523]
_ce... |
agm006070643 | AuGa3Rh4 | data_[Ga3Rh4Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2869]
_cell_length_b [4.2869]
_cell_length_c [6.3715]
_... |
agm005555264 | Ca2Pt2Sr3 | data_[Sr6Ca4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6385]
_cell_length_b [4.2081]
_cell_length_c [8.7221]
_c... |
agm003565379 | Ce3Ge5Tc | data_[Ce6Tc2Ge10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5639]
_cell_length_b [8.5639]
_cell_length_c [5.9044... |
agm004586148 | Li2MnS6Zr2 | data_[Li4Zr4Mn2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3297]
_cell_length_b [11.1... |
oqmd-6938620 | AuReTh | data_[Th4Re4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Re 1.9000 1.3500 0.7125
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6762]
_cell_length_b [6.6762]
_cell_length_c [6.6762]
_c... |
agm001812791 | Dy2GdNi | data_[Gd1Dy2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4530]
_cell_length_b [3.4530]
_cell_length_c [8.6767]
_... |
agm001727722 | IrN2ORb | data_[Rb1Ir1N2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4147]
_cell_length_b [4.414... |
agm003401417 | AuBi2Pb2 | data_[Bi8Pb8Au4]
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 [I4_1/amd]
_cell_length_a [4.8354]
_cell_length_b [4.8354]
_cell_length_c [26.1112... |
agm003807867 | AgMnPd2 | data_[Mn2Ag2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8027]
_cell_length_b [4.7119]
_cell_length_c [10.4902]
_c... |
agm002641520 | BBaRh2 | data_[Ba4B4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5508]
_cell_length_b [6.5508]
_cell_length_c [6.5508]
_cel... |
agm002822611 | Cu2SrTl | data_[Sr4Tl4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.9101]
_cell_length_b [4.9101]
_cell_length_c [18.2671... |
agm002625606 | GeRuZn3 | data_[Zn3Ge1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7530]
_cell_length_b [4.7530]
_cell_length_c [4.7530]
_c... |
agm004895069 | Co2H8MnTh | data_[Th3Mn3Co6H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.4515]
_cell_length_b [4.451... |
agm001348689 | AgGaGdNd | data_[Nd4Gd4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3811]
_cell_length_b [7.... |
agm004310708 | Ag2MnOs | data_[Mn2Ag4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8138]
_cell_length_b [4.6438]
_cell_length_c [9.7493]
_ce... |
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