Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001271099 | HgPdSc | data_[Sc1Hg1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6865]
_cell_length_b [4.6865]
_cell_length_c [3.0762]
_c... |
agm005556294 | Fe2Pa2Zr3 | data_[Zr6Pa4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7571]
_cell_length_b [3.3920]
_cell_length_c [8.3881]
_c... |
agm004526818 | Cs2In3Sn4Zn | data_[Cs2Zn1In3Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.2069]
_cell_length_b [5.... |
agm003465894 | Er5La2Y | data_[La4Y2Er10]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.1452]
_cell_length_b [14.2851]
_cell_length_c [5.0840]
_ce... |
agm004012916 | KMoSi2 | data_[K1Si2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3447]
_cell_length_b [4.3447]
_cell_length_c [4.1219]
_ce... |
agm005847333 | C2PaTm2 | data_[Tm6Pa3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pa 1.5000 1.8000 1.0400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5621]
_cell_length_b [3.5621]
_cell_length_c [27.0634]
_cel... |
agm005732184 | BaI5Pu | data_[Ba4Pu4I20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3710]
_cell_length_b [22.3238]
_cell_length_c [7.9127]
_ce... |
agm005759705 | InO3Sb | data_[In4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2015]
_cell_length_b [11.0349]
_cell_length_c [8.2552]
_ce... |
agm005458541 | IrK4Tc | data_[K16Tc4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.9923]
_cell_length_b [8.9923]
_cell_length_c [8.9923]
_ce... |
agm005530549 | Ho2Tl3 | data_[Ho4Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [7.7322]
_cell_length_b [7.7322]
_cell_length_c [4.5402]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004841391 | DyP4ScTm2 | data_[Dy1Tm2Sc1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7832]
_cell_length_b [3.921... |
agm004111648 | MnRh2Se | data_[Mn3Rh6Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9688]
_cell_length_b [2.9688]
_cell_length_c [23.9031]
_ce... |
agm003823882 | Ag2PtZn | data_[Zn2Ag4Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9475]
_cell_length_b [3.9475]
_cell_length_c [8.3900]
_... |
agm004404552 | Cr2FeTc | data_[Cr2Fe1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.5104]
_cell_length_b [4.1338]
_cell_length_c [4.8562]
_ce... |
agm2000040467 | RuSe3 | data_[Ru4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5934]
_cell_length_b [7.7476]
_cell_length_c [18.2807]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206669 | ORb | data_[Rb4O4]
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 [Cmcm]
_cell_length_a [3.9574]
_cell_length_b [10.5341]
_cell_length_c [4.2396]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002122854 | AuIn2P | data_[In2P1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1754]
_cell_length_b [4.2723]
_cell_length_c [5.5786]
_cell_a... |
agm004996845 | BeCaN2Tm | data_[Ca2Tm2Be2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.0429]
_cell_length_b [5.071... |
agm006087085 | BrCl4Cs5 | data_[Cs10Br2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.2734]
_cell_length_b [11.2734]
_cell_length_c [7.1395]
... |
agm005917992 | Al4PtRu3 | data_[Al4Ru3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0748]
_cell_length_b [4.2208]
_cell_length_c [8.4700]
_ce... |
agm005034208 | PrScSe3Tb | data_[Tb2Pr2Sc2Se6]
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
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4498]
_cell_length_b [4... |
agm003021288 | Cd2Hg2Sr | data_[Sr2Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4266]
_cell_length_b [8.4266]
_cell_length_c [3.9809]
_... |
agm003459796 | CaIr2La4 | data_[Ca4La16Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9104]
_cell_length_b [11.7410]
_cell_length_c [8.5450]
... |
agm002473488 | CrF3Pd | data_[Cr1Pd1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0641]
_cell_length_b [4.0641]
_cell_length_c [4.0641]
_cel... |
agm002294578 | NbRh2Sn2 | data_[Nb2Sn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0403]
_cell_length_b [4.0403]
_cell_length_c [11.8897]
... |
mp-1194920 | AsHNa4O5 | data_[Na16As4H4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1127]
_cell_length_b [7.527... |
agm003845479 | CdIr2W | data_[Cd3Ir6W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8518]
_cell_length_b [2.8518]
_cell_length_c [27.6096]
_cel... |
oqmd-8723456 | O6ReSr2Ti | data_[Sr8Ti4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8907]
_cell_length_b [7.8... |
agm002149641 | CuFe2Ta | data_[Ta4Fe8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8921]
_cell_length_b [5.8921]
_cell_length_c [5.8921]
_c... |
agm002442096 | Au3CaSb | data_[Ca1Sb1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2799]
_cell_length_b [5.2799]
_cell_length_c [5.2799]
_c... |
agm004243018 | AsTaY2 | data_[Y4Ta2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2451]
_cell_length_b [4.0831]
_cell_length_c [11.1033]
_cel... |
oqmd-3313975 | CdHgNiSb | data_[Cd4Ni4Hg4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8890]
_cell_length_b [6.... |
agm005205590 | GaPmPtTm | data_[Pm2Tm2Ga2Pt2]
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
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3641]
_cell_length_b [3.8... |
agm005892691 | GaSi2Sm2 | data_[Sm4Ga2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0682]
_cell_length_b [4.0257]
_cell_length_c [13.3189]
_c... |
agm002672585 | ClFZr2 | data_[Zr8Cl4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4065]
_cell_length_b [6.4065]
_cell_length_c [6.4065]
_cel... |
agm005794748 | Ga2LiY3 | data_[Li2Y6Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0883]
_cell_length_b [5.0883]
_cell_length_c [12.5217]
_ce... |
agm004313899 | AlCoIr2 | data_[Al2Co2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8464]
_cell_length_b [4.5113]
_cell_length_c [8.5980]
_ce... |
agm001951935 | Ga2IrRb | data_[Rb3Ga6Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3401]
_cell_length_b [4.3401]
_cell_length_c [19.1919]
_c... |
agm006065783 | LaNd12Pm5 | data_[La2Pm10Nd24]
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
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6655]
_cell_length_b [17.8377]
_cell_length_c [6.1184]... |
mp-1199354 | C4H20N4O12PtZn | data_[Zn2H40Pt2C8N8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_n... |
agm006082231 | Pm4RuSn8 | data_[Pm4Sn8Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4888]
_cell_length_b [4.5657]
_cell_length_c [16.9310]
_c... |
agm001840103 | ErPuTl | data_[Er2Pu2Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4514]
_cell_length_b [3.4514]
_cell_length_c [14.1540]
_c... |
agm004732150 | CrMn3Na4Te8 | data_[Na12Mn9Cr3Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1425]
_cell_length_b [8... |
agm003589538 | AcIn12Pt4 | data_[Ac2In24Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.6648]
_cell_length_b [9.6648]
_cell_length_c [9.6648]
_c... |
agm005898309 | AcI5In2 | data_[Ac4In8I20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.4794]
_cell_length_b [10.0703]
_cell_length_c [9.3349]
_c... |
agm002303306 | AuCa2ErO6 | data_[Ca8Er4Au4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2323]
_cell_length_b [8.2... |
agm2000099098 | Au3Bi2N3 | data_[Bi4Au6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.6181]
_cell_length_b [8.2122]
_cell_length_c [7.2149]
_c... |
agm005212990 | ErLaPbTe | data_[La3Er3Te3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5298]
_cell_length_b [4.52... |
oqmd-9409630 | Ga4HoPm | data_[Pm1Ho1Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.2300]
_cell_length_b [4.2300]
_cell_length_c [8.3161]
_... |
agm002761085 | Cl2WY | data_[Y3W3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1560]
_cell_length_b [3.1560]
_cell_length_c [26.8894]
_cell_... |
agm003692700 | Er12PbPd6 | data_[Er36Pd18Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0591]
_cell_length_b [14.0591]
_cell_length_c [8.9076]
... |
agm001276827 | HgMnO | data_[Mn1Hg1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4732]
_cell_length_b [3.4732]
_cell_length_c [5.9883]
_cel... |
agm004912963 | AcH8IrLi2 | data_[Li2Ac1H8Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.5837]
_cell_length_b [4.5837... |
agm003339766 | Al4Ce3Zn2 | data_[Ce6Al8Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6827]
_cell_length_b [4.6088]
_cell_length_c [8.6892]
_c... |
agm005022550 | As2FeNaTc | data_[Na2Fe2Tc2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8281]
_cell_length_b [3.... |
agm004460459 | BrO | data_[Br6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5630]
_cell_length_b [9.9351]
_cell_length_c [8.3560]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1264781 | AlCa2CuO5 | data_[Ca8Al4Cu4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.5520]
_cell_length_b [5.6... |
oqmd-3484580 | GeMgOTe | data_[Mg4Ge4Te4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.9736]
_cell_length_b ... |
agm001101666 | Cd2CeZr | data_[Ce4Zr4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3788]
_cell_length_b [7.3788]
_cell_length_c [7.3788]
_c... |
agm003481231 | Pr6SmY2 | data_[Pr6Sm1Y2]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6204]
_cell_length_b [7.6204]
_cell_length_c [6.3482]
_cel... |
agm003580368 | Ga3Hf6Tc | data_[Hf12Ga6Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3680]
_cell_length_b [7.7696]
_cell_length_c [11.1408]... |
agm004189971 | CoOs2Sr | data_[Sr2Co2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5846]
_cell_length_b [9.1902]
_cell_length_c [2.6284]
_ce... |
agm005557683 | N2Te2Th3 | data_[Th6Te4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9497]
_cell_length_b [4.1066]
_cell_length_c [7.9839]
_cel... |
agm005267668 | BMg14Mo | data_[Mg28B2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.0761]
_cell_length_b [7.6198]
_cell_length_c [9.6265]
_cel... |
agm005917555 | CdCu2Sm5 | data_[Sm20Cd4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1207]
_cell_length_b [8.1207]
_cell_length_c [12.9965]... |
agm002804895 | BrHfY2 | data_[Y8Hf4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4603]
_cell_length_b [8.4603]
_cell_length_c [6.2919]
_cel... |
agm006122791 | SbSe5Tm6 | data_[Tm12Sb2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0385]
_cell_length_b [12.2037]
_cell_length_c [7.0841]
... |
agm002502480 | CuIn3K | data_[K1In3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2611]
_cell_length_b [5.2611]
_cell_length_c [5.2611]
_cel... |
oqmd-4861449 | BiTaTc | data_[Ta4Tc4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3648]
_cell_length_b [6.3648]
_cell_length_c [6.3648]
_c... |
agm003435799 | ScTi2Zn3 | data_[Sc1Ti2Zn3]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2246]
_cell_length_b [3.2246]
_cell_length_c [9.5535]
_... |
agm005045323 | AgAl3PmZn | data_[Pm4Al12Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0389]
_cell_length_b [12... |
agm003748577 | AcGa4Ir | data_[Ac2Ga8Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.8172]
_cell_length_b [4.2587]
_cell_length_c [7.3667]
_ce... |
agm002845058 | LiNa2Zn | data_[Na8Li4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4008]
_cell_length_b [8.4008]
_cell_length_c [5.9803]
_c... |
agm004827862 | HoLiS4Sm2 | data_[Li1Sm2Ho1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7911]
_cell_length_b [3.933... |
agm004728626 | Ac3MnS8Tl4 | data_[Ac6Mn2Tl8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0272]
_cell_length_b [8.4... |
agm005950953 | Nd3TmZn4 | data_[Nd9Tm3Zn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1388]
_cell_length_b [5.1388]
_cell_length_c [25.4029]
_... |
agm005582333 | HoTbTh | data_[Tb4Ho4Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3631]
_cell_length_b [3.5790]
_cell_length_c [7.0927]
_c... |
agm004898782 | AcO8Ta2Ti | data_[Ac2Ta4Ti2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3346]
_cell_length_b [6.67... |
agm001988704 | BiCaPb2 | data_[Ca3Bi3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6029]
_cell_length_b [3.6029]
_cell_length_c [36.6343]
_c... |
agm005579601 | P3Pd3Th2 | data_[Th4P6Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.0160]
_cell_length_b [7.0160]
_cell_length_c [8.0036]
_... |
agm003925555 | Ag2YZr | data_[Y4Zr4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9979]
_cell_length_b [6.9979]
_cell_length_c [6.9979]
_cel... |
oqmd-3955333 | AsIrYb | data_[Yb4As4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2914]
_cell_length_b [6.2914]
_cell_length_c [6.2914]
_c... |
agm003855037 | As2CaMo | data_[Ca2Mo2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9811]
_cell_length_b [3.9811]
_cell_length_c [9.9735]
_c... |
agm001551589 | Cu2NiTeY | data_[Y1Cu2Ni1Te1]
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
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0836]
_cell_length_b [5.0... |
agm004619511 | As6Pm3PuSm2 | data_[Pm6Sm4Pu2As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Pu 1.2800 1.7500 0.9675
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3432]
_cell_length_b [4... |
agm005929275 | Be9TaW2 | data_[Ta3Be27W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4566]
_cell_length_b [4.4566]
_cell_length_c [20.7670]
_ce... |
agm002363944 | K2NdO3 | data_[K8Nd4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.8877]
_cell_length_b [6.2020]
_cell_length_c [5.9318]
_cell... |
agm005629845 | Re2Ti3V | data_[Ti12V4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2351]
_cell_length_b [4.3522]
_cell_length_c [6.7441]
_ce... |
oqmd-2066330 | BiEuO3 | data_[Eu4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1149]
_cell_length_b [8.6283]
_cell_length_c [5.9227]
_cel... |
agm003475504 | SmTh2Y5 | data_[Sm2Y10Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5384]
_cell_length_b [11.2691]
_cell_length_c [13.2988]
_c... |
agm001165002 | Ag5O12Pm3 | data_[Pm24Ag40O96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.2183]
_cell_length_b [13.2183]
_cell_length_c [13.2183... |
agm001937678 | CdHoS2 | data_[Ho3Cd3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9549]
_cell_length_b [3.9549]
_cell_length_c [24.4800]
_cel... |
agm005482583 | Hg2Re | data_[Re4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2003]
_cell_length_b [2.8482]
_cell_length_c [8.2820]
_cell_angle_alpha [90.0000]
_cell_... |
agm005603906 | Cd6CsNa2 | data_[Cs1Na2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.2212]
_cell_length_b [9.2212]
_cell_length_c [3.6500]
_... |
agm005839180 | Hf3OsZn2 | data_[Hf3Zn2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6348]
_cell_length_b [4.6348]
_cell_length_c [5.7270]
_c... |
agm005627380 | CeHg6Pr2 | data_[Ce1Pr2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.8203]
_cell_length_b [8.8203]
_cell_length_c [3.4645]
_... |
agm2000001275 | GdH3 | data_[Gd2H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5211]
_cell_length_b [6.2709]
_cell_length_c [17.2409]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001018041 | FIrSe | data_[Ir4Se4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7160]
_cell_length_b [3.5159]
_cell_length_c [6.2803]
_cel... |
agm004320795 | Ni2RuTc | data_[Tc2Ni4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6534]
_cell_length_b [3.6534]
_cell_length_c [7.5459]
_... |
agm005579550 | Ag3Li3Pr2 | data_[Li6Pr4Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3462]
_cell_length_b [8.3462]
_cell_length_c [6.8001]... |
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