Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003713385 | CuFePt3 | data_[Fe8Cu8Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0939]
_cell_length_b [7.7455]
_cell_length_c [8.5865]
_... |
agm003599956 | CeOsY | data_[Ce2Y2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9505]
_cell_length_b [4.3589]
_cell_length_c [6.3287]
_ce... |
agm001757233 | CClHP2 | data_[P2H1C1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4312]
_cell_length_b [3.4312]... |
agm005821087 | Pd6SiZn | data_[Zn2Si2Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0938]
_cell_length_b [4.0938]
_cell_length_c [13.9983]... |
agm004634010 | ErTb6Tm2Y3 | data_[Tb12Y6Er2Tm4]
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
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1480]
_cell_length_b [10.6... |
agm006064135 | Cl8Co4K | data_[K1Co4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.4388]
_cell_length_b [6.4388]
_cell_length_c [9.8693]
_cel... |
agm005923154 | Cu2PuSb2 | data_[Pu4Cu8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3219]
_cell_length_b [22.2613]
_cell_length_c [4.3220]
_c... |
agm005563123 | Dy5La2Tb2 | data_[La4Tb4Dy10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8439]
_cell_length_b [3.5012]
_cell_length_c [8.3062]
_... |
agm002237941 | SZn5 | data_[Zn10S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1643]
_cell_length_b [10.9302]
_cell_length_c [4.8323]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003619363 | AsCs2K | data_[Cs16K8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.3305]
_cell_length_b [22.3171]
_cell_length_c [8.2212]
_c... |
agm002584942 | HfSTa3 | data_[Hf1Ta3S1]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9406]
_cell_length_b [4.9406]
_cell_length_c [4.9406]
_cel... |
agm003365472 | Np2Os5Si4 | data_[Np8Si16Os20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.8441]
_cell_length_b [10.0108]
_cell_length_c [12.8384]... |
agm005436528 | Co2Sr | data_[Sr4Co8]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2540]
_cell_length_b [4.2540]
_cell_length_c [13.4690]
_cell_angle_alpha [90.0000]
_c... |
oqmd-3374526 | LiPd2Sb | data_[Li2Sb2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5094]
_cell_length_b [4.5094]
_cell_length_c [8.1501]... |
agm004733222 | Dy8NP3Te4 | data_[Dy24Te12P9N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0602]
_cell_length_b [8.060... |
agm001390591 | NdPmScTh | data_[Pm4Nd4Th4Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9552]
_cell_length_b [7.... |
agm001247229 | PmRuSn2 | data_[Pm1Sn2Ru1]
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 [P4/mmm]
_cell_length_a [4.4101]
_cell_length_b [4.4101]
_cell_length_c [4.5955]
_... |
agm003398430 | Pr2Sm2Th | data_[Pr4Sm4Th2]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6452]
_cell_length_b [4.6452]
_cell_length_c [16.4253]
... |
agm001488713 | AlGeNa2P | data_[Na2Al1Ge1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4044]
_cell_length_b [5.4... |
agm004417132 | Ag2FeMn | data_[Mn2Fe2Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9466]
_cell_length_b [3.9466]
_cell_length_c [8.0785]
_c... |
agm004828013 | HoLiPu2S4 | data_[Li1Ho1Pu2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7463]
_cell_length_b [3.930... |
agm004169584 | AlKY2 | data_[K2Y4Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1626]
_cell_length_b [3.4621]
_cell_length_c [7.4614]
_cell_an... |
oqmd-2335960 | BCuLu2 | data_[Lu8Cu4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5253]
_cell_length_b [6.5253]
_cell_length_c [6.5253]
_cel... |
agm001748299 | AsNO2Ru | data_[As1Ru1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
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 [3.9792]
_cell_length_b [3.979... |
agm003768813 | CeI6Sm | data_[Ce3Sm3I18]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7976]
_cell_length_b [7.7976]
_cell_length_c [21.3380]
_cel... |
agm005468195 | Ba5La | data_[Ba10La2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0074]
_cell_length_b [4.2848]
_cell_length_c [22.6484]
_cell_angle_alpha [90.0000]
_cell... |
agm2000117469 | Sb4Te5 | data_[Sb4Te5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.1548]
_cell_length_b [7.1548]
_cell_length_c [20.0249]
_cell_angle_alpha [90.0000]
_cell_... |
agm001092308 | GdLaPb2 | data_[La4Gd4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9094]
_cell_length_b [7.9094]
_cell_length_c [7.9094]
_c... |
oqmd-5745698 | Hg2Na2Te3 | data_[Na6Hg6Te9]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4461]
_cell_length_b [6.4461]
_cell_length_c [17.8757]
_c... |
agm005749354 | CaCl5Pm | data_[Ca2Pm2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0584]
_cell_length_b [4.0920]
_cell_length_c [13.1913]... |
agm002392914 | AlCr3Sn | data_[Al1Cr3Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5529]
_cell_length_b [4.5529]
_cell_length_c [4.5529]
_c... |
agm004895965 | BO8P2Sm | data_[Sm1B1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8700]
_cell_length_b [4.8700]
... |
agm002476728 | BaCu3Fe | data_[Ba1Fe1Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7452]
_cell_length_b [4.7452]
_cell_length_c [4.7452]
_c... |
oqmd-3165899 | BCoMoPd | data_[Co4B4Mo4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7884]
_cell_length_b [5.78... |
agm001795081 | FNSe2Ta | data_[Ta1Se2N1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0600]
_cell_length_b [5.060... |
agm004328008 | CaScTa2 | data_[Ca1Sc1Ta2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6024]
_cell_length_b [3.6024]
_cell_length_c [7.1773]
_... |
agm005728957 | CsO4Os | data_[Cs4Os4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [10.4039]
_cell_length_b [9.0077]
_cell_length_c [6.4774]
_ce... |
oqmd-4009216 | BCoNO | data_[Co2B2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.2884]
_cell_length_b [3.2884]... |
agm001750326 | GeN2O2 | data_[Ge1N2O2]
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 [P4/mmm]
_cell_length_a [3.6438]
_cell_length_b [3.6438]
_cell_length_c [3.3842]
_cell... |
agm002227308 | NiRu2U3 | data_[U3Ni1Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3769]
_cell_length_b [3.3769]
_cell_length_c [9.8525]
_ce... |
agm003335467 | Dy3Ga4La2 | data_[La8Dy12Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.9635]
_cell_length_b [16.0986]
_cell_length_c [8.6319]
... |
agm004741864 | Pm2PrSm2Tm | data_[Pm4Pr2Sm4Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.0840]
_cell_length_b [5.7... |
agm002219035 | LiNTh | data_[Li4Th4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9553]
_cell_length_b [3.6856]
_cell_length_c [5.7750]
_cell... |
agm003365309 | Na2Pt5Sn4 | data_[Na8Sn16Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6965]
_cell_length_b [10.1397]
_cell_length_c [16.9707]... |
agm003466027 | Pr5Tm2Y | data_[Pr20Y4Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.3198]
_cell_length_b [9.3198]
_cell_length_c [12.7337]
_... |
agm003383744 | Dy5Er4Ho3 | data_[Dy10Ho6Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9291]
_cell_length_b [5.8066]
_cell_length_c [9.1757]
_... |
agm005403576 | Au3Cu3Tl | data_[Tl2Cu6Au6]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [7.0299]
_cell_length_b [7.0299]
_cell_length_c [7.0299]
_c... |
agm005729688 | BeS3Sr2 | data_[Sr16Be8S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Be 1.5700 1.0500 0.5900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3640]
_cell_length_b [12.4248]
_cell_length_c [13.9012]
_... |
agm002110819 | AsBMg | data_[Mg2B2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0327]
_cell_length_b [4.4536]
_cell_length_c [6.2573]
_cell_... |
oqmd-4801723 | CuNaO3Sn | data_[Na4Cu4Sn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9013]
_cell_length_b [3.1... |
agm001411057 | AcGdHgPr | data_[Ac4Pr4Gd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Gd 1.2000 1.8000 1.0750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0252]
_cell_length_b [8.... |
agm005435567 | PbSi4Sr | data_[Sr4Si16Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0148]
_cell_length_b [8.0148]
_cell_length_c [8.0148]
_... |
agm002546050 | Ag3NaZr | data_[Na1Zr1Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3936]
_cell_length_b [5.3936]
_cell_length_c [5.3936]
_c... |
agm002665614 | Co2CrRb | data_[Rb4Cr4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3620]
_cell_length_b [6.3620]
_cell_length_c [6.3620]
_c... |
agm001563460 | BNa2SeTa | data_[Na2Ta1B1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6618]
_cell_length_b [5.6... |
agm004806445 | CeScTl4Tm2 | data_[Ce3Tm6Sc3Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2976]
_cell_length_b [5.... |
agm005208728 | ErSeSnTb | data_[Tb1Er1Sn1Se1]
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
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2559]
_cell_length_b [4... |
agm004694218 | NpRb3S8U3 | data_[Rb9Np3U9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0859]
_cell_length_b [8.0859... |
agm004214810 | Fe2IrNi | data_[Fe4Ni2Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6069]
_cell_length_b [2.6355]
_cell_length_c [4.4630]
_ce... |
agm003861939 | CdCoMo2 | data_[Cd3Co3Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7905]
_cell_length_b [2.7905]
_cell_length_c [28.0811]
_ce... |
agm001458294 | C2NReSn | data_[Re1Sn1C2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sn 1.9600 1.4500 0.8300
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1300]
_cell_length_b [4.130... |
agm003821110 | Ru2SbSi | data_[Si2Sb2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8491]
_cell_length_b [4.5880]
_cell_length_c [7.0085]
_ce... |
oqmd-9356044 | Cu2Ge2HoSc | data_[Ho1Sc1Cu2Ge2]
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
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2128]
_cell_length_b [4.2... |
agm005764267 | DyHg5Tb | data_[Tb1Dy1Hg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6073]
_cell_length_b [4.6073]
_cell_length_c [8.6968]
_... |
agm2000041843 | BF3 | data_[B1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [4.8395]
_cell_length_b [4.8395]
_cell_length_c [15.0002]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm005603525 | Ga3LiPt2 | data_[Li6Ga18Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7489]
_cell_length_b [4.1713]
_cell_length_c [8.8980]
... |
agm001722985 | IIrLiN2 | data_[Li1Ir1I1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7669]
_cell_length_b [3.766... |
agm001406692 | AcCaPbSr | data_[Sr4Ca4Ac4Pb4]
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
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4894]
_cell_length_b [8.... |
agm005168605 | Ge2NdPd5Pr | data_[Pr1Nd1Ge2Pd5]
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
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3239]
_cell_length_b [4... |
agm002935691 | Au2LaNa2 | data_[Na4La2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2034]
_cell_length_b [5.2034]
_cell_length_c [9.2487]
_... |
oqmd-6130493 | B4Ir2Pr2Rh3 | data_[Pr8B16Ir8Rh12]
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
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5560]
_cell_length_b [10.... |
agm005593282 | AcNi10Pm | data_[Ac1Pm1Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9738]
_cell_length_b [5.0158]
_cell_length_c [8.7028]
_c... |
agm005005299 | AuCu2PdTi | data_[Ti2Cu4Pd2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4670]
_cell_length_b [2... |
agm004577293 | O6PaSb2Tl2 | data_[Pa2Tl4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7812]
_cell_length_b [7.27... |
agm005005496 | ClCsSTl2 | data_[Cs2Tl4S2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3411]
_cell_length_b [4.3... |
agm003845035 | Sb2SeTc | data_[Tc2Sb4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2345]
_cell_length_b [4.4021]
_cell_length_c [12.7496]
_c... |
agm004364322 | AuLiRu2 | data_[Li2Ru4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6540]
_cell_length_b [3.6540]
_cell_length_c [8.6766]
_... |
agm005605567 | Cd6LaTb2 | data_[La1Tb2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.7423]
_cell_length_b [8.7423]
_cell_length_c [3.4556]
_... |
agm002538742 | FeNSn3 | data_[Fe1Sn3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5816]
_cell_length_b [4.5816]
_cell_length_c [4.5816]
_cel... |
agm003968228 | AsCl2Sc | data_[Sc1As1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0610]
_cell_length_b [3.7587]
_cell_length_c [7.0461]
_cell... |
agm005882680 | Mg2O4Sn | data_[Mg8Sn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [6.1862]
_cell_length_b [6.1862]
_cell_length_c [8.7501]
_c... |
agm005471663 | CaZnZr4 | data_[Ca4Zr16Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3950]
_cell_length_b [8.3950]
_cell_length_c [8.3950]
_... |
agm004953033 | Ca2CoMoO6 | data_[Ca4Co2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3726]
_cell_length_b [5.... |
agm004790520 | Al2Pt4TmZn | data_[Tm3Al6Zn3Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2913]
_cell_length_b [4.... |
agm002817011 | ClRhZn2 | data_[Zn8Rh4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1932]
_cell_length_b [7.1932]
_cell_length_c [5.2826]
_c... |
agm006134364 | Ac6In5Nd | data_[Ac12Nd2In10]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4838]
_cell_length_b [9.2997]
_cell_length_c [16.6112]
... |
agm004699536 | Ho3MgPm3Te8 | data_[Pm9Ho9Mg3Te24]
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
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7401]
_cell_length_b [8.... |
agm2000095622 | BrI3Nb | data_[Nb2I6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.4200]
_cell_length_b [4.1080]
_cell_length_c [15.8326]
_... |
agm005427767 | CrMg2 | data_[Mg8Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2045]
_cell_length_b [3.0840]
_cell_length_c [7.2139]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002821813 | CrSrZn2 | data_[Sr4Zn8Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.8973]
_cell_length_b [4.8973]
_cell_length_c [18.2227... |
agm003849356 | AuPbSb2 | data_[Sb4Pb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5401]
_cell_length_b [9.9601]
_cell_length_c [3.3438]
_ce... |
agm001326307 | AsAuCdCe | data_[Ce4Cd4As4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1180]
_cell_length_b [7.... |
agm004550030 | AcNd2Pd2Sn2 | data_[Ac3Nd6Sn6Pd6]
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
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8153]
_cell_length_b [4.8... |
agm002348746 | IrNiSn | data_[Ni2Sn2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9380]
_cell_length_b [3.9380]
_cell_length_c [6.3064]
_... |
agm001313131 | HfPdRuZr | data_[Hf4Zr4Pd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5994]
_cell_length_b [6.... |
oqmd-3303769 | InNiPdY | data_[Y4In4Ni4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6681]
_cell_length_b [6.66... |
agm001272171 | CeLaPd | data_[La1Ce1Pd1]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7174]
_cell_length_b [4.7174]
_cell_length_c [3.9395]
_ce... |
agm004413285 | AgInIr | data_[In1Ag1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5221]
_cell_length_b [4.5221]
_cell_length_c [2.9993]
_ce... |
agm004931840 | Cl6CrLiRb2 | data_[Rb2Li1Cr1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1289]
_cell_length_b [7.... |
agm004098992 | Cr2MnTe | data_[Mn1Cr2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P4/mmm]
_cell_length_a [3.8313]
_cell_length_b [3.8313]
_cell_length_c [3.8745]
_... |
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