Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005143560 | Hg2InMg2Pd5 | data_[Mg4In2Hg4Pd10]
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
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8992]
_cell_length_b [... |
agm004641913 | Ce2FeNa3S6 | data_[Na6Ce4Fe2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8327]
_cell_length_b [11.8... |
agm006028188 | N4NdTh3 | data_[Nd2Th6N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3267]
_cell_length_b [10.3444]
_cell_length_c [3.6577]
_cel... |
agm003385604 | Ho4Pm8Sm3 | data_[Pm16Sm6Ho8]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8663]
_cell_length_b [12.1987]
_cell_length_c [6.8902]
... |
agm004433447 | PRu2Tc | data_[Tc2P2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7490]
_cell_length_b [2.8207]
_cell_length_c [10.4098]
_cel... |
agm005707652 | FeMn2Pt3 | data_[Mn2Fe1Pt3]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2022]
_cell_length_b [3.2022]
_cell_length_c [8.7370]
_... |
agm003511952 | B2PrPt7 | data_[Pr2B4Pt14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.0235]
_cell_length_b [11.5406]
_cell_length_c [4.2277]
_ce... |
oqmd-6222431 | Er2FeOs3 | data_[Er4Fe2Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2936]
_cell_length_b [5.2936]
_cell_length_c [8.5674]... |
agm005430984 | Tc2Zr | data_[Zr4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [3.2510]
_cell_length_b [4.6534]
_cell_length_c [13.2844]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-6806144 | ErGa4Ir2Tb | data_[Tb2Er2Ga8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.8901]
_cell_length_b [4.2... |
agm004903318 | CaO8PdTa2 | data_[Ca2Ta4Pd2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7485]
_cell_length_b [6.94... |
agm003901770 | CrSb2Ta | data_[Ta2Cr2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8767]
_cell_length_b [3.4000]
_cell_length_c [5.5507]
_ce... |
agm003529184 | Ho2Pm8Sn | data_[Pm16Ho4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3201]
_cell_length_b [4.9870]
_cell_length_c [8.0675]
_... |
agm003011385 | ClRb2S2 | data_[Rb4S4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6244]
_cell_length_b [8.6244]
_cell_length_c [4.4442]
_ce... |
agm005885672 | F5Tl2W | data_[Tl8W4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0395]
_cell_length_b [6.1188]
_cell_length_c [12.6101]
_cell... |
agm003341381 | Cu2Pd3Ti4 | data_[Ti8Cu4Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8075]
_cell_length_b [3.8629]
_cell_length_c [8.3745]
_ce... |
agm001001694 | ErGeTm | data_[Er4Tm4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4682]
_cell_length_b [4.2796]
_cell_length_c [5.7739]
_c... |
agm005904567 | CeDy9Sm2 | data_[Ce1Sm2Dy9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0256]
_cell_length_b [5.0256]
_cell_length_c [15.0769]
... |
oqmd-2913270 | AsFeGaMg | data_[Mg4Ga4Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3165]
_cell_length_b [6.... |
agm001983996 | Ac2CeN | data_[Ac6Ce3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7309]
_cell_length_b [3.7309]
_cell_length_c [31.1508]
_cel... |
agm003353000 | Ac3Ga7Pd2 | data_[Ac6Ga14Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5313]
_cell_length_b [27.2545]
_cell_length_c [4.5639]
_... |
oqmd-5792041 | Ca3Ga4Si4 | data_[Ca6Ga8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.8814]
_cell_length_b [7.8814]
_cell_length_c [7.8814]
_c... |
agm004427218 | AsInPt2 | data_[In2As2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5288]
_cell_length_b [4.3112]
_cell_length_c [9.4174]
_ce... |
agm001513294 | Cd2SbSrW | data_[Sr1Cd2Sb1W1]
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
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8044]
_cell_length_b [5.8... |
agm003472620 | Pb2Ti5V | data_[Ti10V2Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1228]
_cell_length_b [6.1228]
_cell_length_c [7.7436]
_c... |
agm004189307 | Cr2ScTl | data_[Sc1Tl1Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0927]
_cell_length_b [3.0927]
_cell_length_c [7.4206]
_ce... |
agm005547167 | Cd6Er | data_[Er4Cd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2042]
_cell_length_b [6.0462]
_cell_length_c [11.6845]
_cell_angle_alpha [90.0000]
_cell... |
agm005077609 | LiNbO6Se | data_[Li2Nb2Se2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1335]
_cell_length_b [5.1... |
agm2000128402 | BrSn4 | data_[Sn4Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3013]
_cell_length_b [5.1405]
_cell_length_c [20.9742]
_cell_angle_alpha [90.0000]
_cell_... |
agm005994491 | Au4Cs10O | data_[Cs20Au8O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [13.3775]
_cell_length_b [13.3775]
_cell_length_c [8.4866]
_c... |
agm004245948 | BaBrRh2 | data_[Ba4Rh8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1468]
_cell_length_b [6.1837]
_cell_length_c [9.8833]
_ce... |
agm001431180 | AsC2NiSc | data_[Sc1Ni1As1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7036]
_cell_length_b [3.7... |
agm002417807 | AsBe3Cd | data_[Be3Cd1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4360]
_cell_length_b [4.4360]
_cell_length_c [4.4360]
_c... |
agm001637521 | AuLaNaSr2 | data_[Na1Sr2La1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2237]
_cell_length_b [6... |
agm005017593 | Ir2SrTiZr | data_[Sr2Zr2Ti2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4373]
_cell_length_b [4.... |
agm002659438 | Cl2CoMn | data_[Mn4Co4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2930]
_cell_length_b [6.2930]
_cell_length_c [6.2930]
_c... |
agm003388532 | Ag2Ho2Sm | data_[Sm2Ho4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0040]
_cell_length_b [6.9360]
_cell_length_c [6.4730]
_ce... |
agm002612436 | BaInTi3 | data_[Ba1Ti3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9784]
_cell_length_b [4.9784]
_cell_length_c [4.9784]
_c... |
agm001728726 | BaN2OZn | data_[Ba1Zn1N2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
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 [4.0807]
_cell_length_b [4.080... |
agm004021979 | Ru2TaTc | data_[Ta1Tc1Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9362]
_cell_length_b [3.9362]
_cell_length_c [3.8909]
_... |
agm1000007830 | NRu | data_[Ru4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2027]
_cell_length_b [18.1828]
_cell_length_c [18.1828]
_cell_angle_alpha [120.0000]
_cell_an... |
agm004942913 | Ag6Ba2PdTl | data_[Ba8Tl4Ag24Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6097]
_cell_length_b [... |
agm001589064 | Cr2SeTaTi | data_[Ta1Ti1Cr2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5124]
_cell_length_b [4... |
agm003497840 | CsHg6Pd2 | data_[Cs8Hg48Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.9828]
_cell_length_b [13.9828]
_cell_length_c [13.982... |
agm005086820 | AgCrF6Zn | data_[Zn2Cr2Ag2F12]
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
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.3888]
_cell_length_b [5.3... |
agm005128781 | HoNd2Pu | data_[Nd6Ho3Pu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6006]
_cell_length_b [3.6006]
_cell_length_c [34.7079]
_ce... |
agm001273979 | InPaSm | data_[Sm1Pa1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3544]
_cell_length_b [5.3544]
_cell_length_c [3.1285]
_c... |
agm001370644 | DyLuMnZn | data_[Dy4Lu4Mn4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0028]
_cell_length_b [7.... |
agm001322114 | AlDyThY | data_[Dy4Y4Th4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6180]
_cell_length_b [7.61... |
oqmd-2052417 | Ge3Ir2S3 | data_[Ge36Ir24S36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8378]
_cell_length_b [11.8378]
_cell_length_c [14.5557]
... |
agm001123741 | BeTbY2 | data_[Tb1Y2Be1]
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
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4755]
_cell_length_b [3.4755]
_cell_length_c [8.6483]
_ce... |
agm004157217 | AgFeNi | data_[Fe2Ni2Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7408]
_cell_length_b [2.7408]
_cell_length_c [10.9391]
_c... |
agm006103310 | As5NdTb4 | data_[Tb8Nd2As10]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1677]
_cell_length_b [5.8917]
_cell_length_c [20.8248]
_... |
agm006085105 | BeCu3Se4 | data_[Be2Cu6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.4023]
_cell_length_b [5.4023]
_cell_length_c [10.8936]
_... |
agm004694446 | Ce3Li3MgS8 | data_[Li9Ce9Mg3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9349]
_cell_length_b [7.93... |
agm004775789 | Ag2Br4KLi | data_[K2Li2Ag4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [7.2003]
_cell_length_b [7.741... |
mp-2217566 | MgMnO7P2 | data_[Mg2Mn2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7595]
_cell_length_b [8.7122]
... |
agm002947460 | ISr2Te2 | data_[Sr4Te4I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1598]
_cell_length_b [5.1598]
_cell_length_c [16.9208]
_c... |
agm006131191 | CoNa4O5 | data_[Na8Co2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.1560]
_cell_length_b [7.1560]
_cell_length_c [5.0342]
_cell_... |
agm004511518 | Au3Ge4Nd2Sc | data_[Nd2Sc1Ge4Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3434]
_cell_length_b [4.... |
agm004794571 | Cd2GaInTb4 | data_[Tb12Cd6In3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2609]
_cell_length_b [5.... |
agm002867691 | GeNi2Sb | data_[Ni8Ge4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.7712]
_cell_length_b [6.7712]
_cell_length_c [5.8800]
_c... |
agm004843318 | Ho2NdSb4Tb | data_[Tb1Nd1Ho2Sb4]
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
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6478]
_cell_length_b [4.4... |
oqmd-3397678 | CoSr2V | data_[Sr8V4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [7.4140]
_cell_length_b [7.4140]
_cell_length_c [7.4140]
_cel... |
agm001102925 | CHo3Sc | data_[Ho3Sc1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9678]
_cell_length_b [4.9678]
_cell_length_c [4.9678]
_cel... |
agm004825221 | K2NdSe4Zr | data_[K2Nd1Zr1Se4]
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
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1943]
_cell_length_b [4.112... |
agm005667117 | Pm6Sm2Tb5 | data_[Tb10Pm12Sm4]
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 [Pbam]
_cell_length_a [11.7997]
_cell_length_b [20.5701]
_cell_length_c [3.6354]... |
agm004787413 | La4N2OP | data_[La8P2N4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.8204]
_cell_length_b [5.8204]
... |
agm005638013 | CeLaOs | data_[La4Ce4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8868]
_cell_length_b [8.6415]
_cell_length_c [7.4647]
_... |
agm003308757 | Ga3Ge2Pr2 | data_[Pr4Ga6Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2331]
_cell_length_b [18.6815]
_cell_length_c [4.1931]
_c... |
agm004300533 | Li2OsY | data_[Li4Y2Os2]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5489]
_cell_length_b [8.9204]
_cell_length_c [2.8064]
_cell... |
agm005135114 | Co2CrRu2V5 | data_[V10Cr2Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2319]
_cell_length_b [9.... |
oqmd-2645366 | FeHfPbTa | data_[Hf4Ta4Fe4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6746]
_cell_length_b [6.... |
agm001007346 | OReTe | data_[Re12Te12O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.5991]
_cell_length_b [5.2648]
_cell_length_c [9.9022]
_ce... |
agm003862669 | Ca2HgY | data_[Ca4Y2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9632]
_cell_length_b [9.9050]
_cell_length_c [3.6942]
_cell... |
agm003696046 | Au6LaPd6 | data_[La2Pd12Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4976]
_cell_length_b [9.2740]
_cell_length_c [9.3505]
_... |
oqmd-7410009 | AlInSe3Y | data_[Y4Al4In4Se12]
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
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1609]
_cell_length_b [14.5... |
agm004944187 | ReTc6Th2U | data_[Th2U1Re1Tc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9370]
_cell_length_b [6.4010... |
agm003998786 | Os2SrTe | data_[Sr1Te1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2591]
_cell_length_b [4.2591]
_cell_length_c [4.4142]
_... |
agm002726032 | HfIr2Rb | data_[Rb4Hf4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8114]
_cell_length_b [6.8114]
_cell_length_c [6.8114]
_c... |
agm005007656 | AlDyGeIr2 | data_[Dy4Al4Ge4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2499]
_cell_length_b [13.... |
agm005966136 | GaNi7Pt3 | data_[Ga2Ni14Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2902]
_cell_length_b [8.3662]
_cell_length_c [6.7033]
_cel... |
agm006069992 | Ni2Pm4Y | data_[Pm8Y2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5996]
_cell_length_b [6.5722]
_cell_length_c [8.1394]
_ce... |
agm003405930 | AgSc2Tl2 | data_[Sc8Tl8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.0599]
_cell_length_b [13.1331]
_cell_length_c [6.0039]
_c... |
oqmd-3378730 | MgRbW | data_[Rb4Mg4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5544]
_cell_length_b [7.5544]
_cell_length_c [7.5544]
_cel... |
agm005020167 | As2MnNaRu | data_[Na2Mn2As4Ru2]
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
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9381]
_cell_length_b [3.... |
agm002462573 | Cu3OsW | data_[Cu3Os1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5319]
_cell_length_b [4.5319]
_cell_length_c [4.5319]
_cel... |
oqmd-6205428 | C2Cr2Dy2Si | data_[Dy4Cr4Si2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7301]
_cell_length_b [3.14... |
agm005188200 | AlHgTbTm | data_[Tb1Tm1Al1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6040]
_cell_length_b [3.6... |
agm005963538 | Pm3PtZn3 | data_[Pm6Zn6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7507]
_cell_length_b [4.5258]
_cell_length_c [19.4791]
_c... |
agm002887069 | FeHf2Sc | data_[Hf8Sc4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.5457]
_cell_length_b [7.5457]
_cell_length_c [5.7128]
_c... |
agm004357723 | KLaSb2 | data_[K1La1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5086]
_cell_length_b [4.5424]
_cell_length_c [8.4039]
_cell... |
agm005098751 | H6KMnNa | data_[K1Na1Mn1H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.2466]
_cell_length_b [5.2466]
_... |
agm001542952 | BFHf2Tc | data_[Hf2Tc1B1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9704]
_cell_length_b [4.970... |
agm003481916 | DyPm6Sc2 | data_[Pm24Dy4Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.7131]
_cell_length_b [11.6362]
_cell_length_c [5.9074]
... |
agm005023314 | PdTe3TiTl | data_[Ti2Tl2Te6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6646]
_cell_length_b [3... |
agm001437524 | NPdRhV2 | data_[V2Pd1Rh1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7561]
_cell_length_b [4.756... |
agm005546343 | NiV5 | data_[V10Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1710]
_cell_length_b [8.9566]
_cell_length_c [4.1612]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-6635 | Ba2CaO6Re | data_[Ba8Ca4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4731]
_cell_length_b [8.4... |
agm002814160 | Cl2LaOs | data_[La4Os4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.5478]
_cell_length_b [4.5478]
_cell_length_c [17.5542]
_... |
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