Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001567739 | RbRuSnY2 | data_[Rb1Y2Sn1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
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 [5.3964]
_cell_length_b [5.3... |
agm004735051 | C3Ce8I4P | data_[Ce24P3C9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8027]
_cell_length_b [7.8027]... |
agm005696151 | Ce3Ga4Zn4 | data_[Ce6Zn8Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4717]
_cell_length_b [6.8368]
_cell_length_c [14.5362]
_c... |
agm005021569 | NiPdSb2Sr | data_[Sr2Ni2Sb4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.6035]
_cell_length_b [4.... |
agm005074831 | CdO6TaTi | data_[Ta2Ti2Cd2O12]
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
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2732]
_cell_length_b [5.2... |
agm003731705 | Cu3NiTh | data_[Th4Cu12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.9139]
_cell_length_b [4.9139]
_cell_length_c [15.7206]
... |
agm001582045 | CoMn2NbNi | data_[Mn2Nb1Co1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3573]
_cell_length_b [4... |
agm001129384 | Pu2SeTl | data_[Pu2Tl1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4577]
_cell_length_b [3.4577]
_cell_length_c [8.4003]
_... |
oqmd-3644612 | O5Pm2Si | data_[Pm8Si4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2229]
_cell_length_b [7.0639]
_cell_length_c [6.8384]
_c... |
agm005512940 | AlRh3 | data_[Al6Rh18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8314]
_cell_length_b [7.8233]
_cell_length_c [5.8437]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-6456145 | H6K2MgNi | data_[K8Mg4Ni4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6163]
_cell_length_b [7.616... |
agm005920071 | Pr5Rh2Sn | data_[Pr20Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0663]
_cell_length_b [8.0663]
_cell_length_c [13.9638]... |
agm006183036 | Ga4Y | data_[Y1Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5384]
_cell_length_b [5.5384]
_cell_length_c [5.5384]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003750446 | Br4SrZn | data_[Sr2Zn2Br8]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3301]
_cell_length_b [4.2360]
_cell_length_c [15.3327]
... |
mp-1233459 | F4Fe10MgO16 | data_[Mg1Fe10O16F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9071]
_cell_length_b [5.5576]... |
agm003820211 | LaLiY2 | data_[Li2La2Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8433]
_cell_length_b [4.8433]
_cell_length_c [10.6050]
_c... |
agm002134575 | AlCoGa5 | data_[Al1Ga5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0824]
_cell_length_b [4.0824]
_cell_length_c [7.0422]
_... |
oqmd-6449603 | Cl2N2Yb | data_[Yb4N8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9868]
_cell_length_b [7.6164]
_cell_length_c [13.9276]
_cel... |
oqmd-2916792 | BCoGeMg | data_[Mg4Co4Ge4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8491]
_cell_length_b [5.84... |
agm004772329 | GaKP2Pt4 | data_[K1Ga1P2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9891]
_cell_length_b [3.989... |
agm004592204 | As2Ce2Rh7Y | data_[Ce4Y2As4Rh14]
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
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7789]
_cell_length_b [5.76... |
agm005223299 | Ag2C2LiN2O2 | data_[Li1Ag2C2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2... |
oqmd-7085612 | AsKOPt | data_[K2As2Pt2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3032]
_cell_length_b [4.303... |
oqmd-7440734 | AgCsSeTe2Ti | data_[Cs4Ti4Ag4Te8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_lengt... |
agm004413951 | AlNi2Se | data_[Al2Ni4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5728]
_cell_length_b [3.2911]
_cell_length_c [3.9954]
_cell... |
agm005116471 | AgLa2Tm | data_[La6Tm3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6892]
_cell_length_b [3.6892]
_cell_length_c [31.9952]
_ce... |
agm004959413 | Cl6Cu2PdTl | data_[Tl4Cu8Pd4Cl24]
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
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2844]
_cell_length_b [9... |
agm002818134 | CoCu2Re | data_[Co4Cu8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.6566]
_cell_length_b [6.6566]
_cell_length_c [4.8288]
_c... |
agm001093851 | Ho2MgPa | data_[Ho8Mg4Pa4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6269]
_cell_length_b [7.6269]
_cell_length_c [7.6269]
_c... |
agm005610588 | Co2F9Rb3 | data_[Rb3Co2F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9758]
_cell_length_b [5.9758]
_cell_length_c [7.5293]
_cel... |
agm004095913 | AgCr2Re | data_[Cr4Re2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4581]
_cell_length_b [7.5684]
_cell_length_c [2.6972]
_ce... |
agm002912451 | BeC2Tc2 | data_[Be2Tc4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4756]
_cell_length_b [3.4756]
_cell_length_c [9.4061]
_ce... |
agm001431007 | C2GeLaPd | data_[La1Ge1Pd1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5410]
_cell_length_b [4.5... |
agm001600060 | FIr2PbV | data_[V1Ir2Pb1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0930]
_cell_length_b [5.093... |
agm002143774 | Co2CuSn | data_[Co8Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9433]
_cell_length_b [5.9433]
_cell_length_c [5.9433]
_c... |
agm003807850 | BrLi2Mo | data_[Li2Mo1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0187]
_cell_length_b [3.0187]
_cell_length_c [7.6214]
_... |
agm004693827 | AuNp3Rb3S8 | data_[Rb6Np6Au2S16]
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
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3151]
_cell_length_b [8.4... |
agm001474349 | GeIrRbW2 | data_[Rb1Ge1Ir1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8355]
_cell_length_b [4.8... |
agm006137460 | La5N6Sr | data_[Sr2La10N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4992]
_cell_length_b [11.2274]
_cell_length_c [6.4921]
_c... |
agm2000107254 | F3NY2 | data_[Y4N2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.3412]
_cell_length_b [3.5862]
_cell_length_c [22.3796]
_cell_an... |
agm003449963 | S4Sb2Sr | data_[Sr4Sb8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9900]
_cell_length_b [13.1038]
_cell_length_c [13.5326]
_c... |
mp-1187044 | PSn3 | data_[Sn6P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4169]
_cell_length_b [6.4169]
_cell_length_c [5.5528]
_cell_angle_alpha [90.0000]
_cell... |
agm002000241 | CeCoSn2 | data_[Ce3Co3Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1866]
_cell_length_b [3.1866]
_cell_length_c [31.1455]
_c... |
agm003860359 | FeNiPb2 | data_[Fe2Ni2Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4450]
_cell_length_b [5.1697]
_cell_length_c [6.7487]
_ce... |
agm003569623 | Nd6Pm3Tm | data_[Pm12Nd24Tm4]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0069]
_cell_length_b [19.3824]
_cell_length_c [6.509... |
agm005174145 | ErNd2PrTe5 | data_[Pr1Nd2Er1Te5]
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
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5002]
_cell_length_b [5... |
agm004797156 | Hg4Mg2NaSn | data_[Na3Mg6Sn3Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0525]
_cell_length_b [5.... |
agm005400427 | Re3Si3Y | data_[Y2Re6Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.6096]
_cell_length_b [6.6096]
_cell_length_c [6.6096]
_cel... |
agm001647151 | Ba2CaLiZn | data_[Ba2Li1Ca1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.4294]
_cell_length_b [6... |
agm004338312 | MoRe2Sr | data_[Sr2Re4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0067]
_cell_length_b [5.1738]
_cell_length_c [9.9366]
_ce... |
agm2000097232 | ClF3Sn2 | data_[Sn4Cl2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.6433]
_cell_length_b [9.0945]
_cell_length_c [4.8217]
_c... |
agm004550290 | Cu2Dy2Ga2La | data_[La3Dy6Ga6Cu6]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4629]
_cell_length_b [4.4... |
agm002103314 | AuCuFeMoN | data_[Fe2Cu2Mo2Au2N2]
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
Mo 2.1600 1.4500 0.7750
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a ... |
agm003483477 | Ge2LaLi6 | data_[Li6La1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4082]
_cell_length_b [4.4082]
_cell_length_c [9.1049]
_... |
agm003291811 | In3Nd8 | data_[Nd24In9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3460]
_cell_length_b [10.3460]
_cell_length_c [12.9008]
_cell_angle_alpha [90.0000]
_cel... |
agm002007057 | EuSc2Ta | data_[Eu3Sc6Ta3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1539]
_cell_length_b [3.1539]
_cell_length_c [34.1798]
_c... |
agm004897579 | BiFeO8Pa2 | data_[Pa4Fe2Bi2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4023]
_cell_length_b [5.402... |
agm004820944 | Hg2Ho4SSe | data_[Ho4Hg2Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7654]
_cell_length_b [3.894... |
agm004110457 | AsCa2Pb | data_[Ca2As1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8785]
_cell_length_b [3.8785]
_cell_length_c [8.1647]
_ce... |
agm005092709 | BaInO6Pt | data_[Ba1In1Pt1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.5535]
_cell_length_b [5.553... |
agm002967263 | CaPt2Sn2 | data_[Ca2Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0951]
_cell_length_b [8.0951]
_cell_length_c [3.2435]
_... |
agm002461971 | Cu3MoTa | data_[Ta1Cu3Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4972]
_cell_length_b [4.4972]
_cell_length_c [4.4972]
_c... |
agm004607866 | Nd2Pm3Se6Sm | data_[Pm6Nd4Sm2Se12]
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
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3083]
_cell_length_b [4... |
agm004389136 | CdClRe2 | data_[Cd3Re6Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8657]
_cell_length_b [2.8657]
_cell_length_c [27.2312]
_c... |
agm001106538 | Br3KNd | data_[K1Nd1Br3]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8267]
_cell_length_b [5.8267]
_cell_length_c [5.8267]
_cel... |
agm004250791 | KPbTc2 | data_[K1Tc2Pb1]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8899]
_cell_length_b [5.3914]
_cell_length_c [6.5726]
_cell... |
agm001394071 | CeLaSmTl | data_[La4Ce4Sm4Tl4]
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
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8664]
_cell_length_b [7.... |
oqmd-6356001 | BBa2Tl2 | data_[Ba2Tl2B1]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2768]
_cell_length_b [6.2768]
_cell_length_c [5.8030]
_ce... |
agm003682964 | Bi5HgPb8 | data_[Hg2Bi10Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.7431]
_cell_length_b [9.7431]
_cell_length_c [9.8237]
_c... |
agm004849540 | Bi4ErNd2Pa | data_[Nd2Er1Pa1Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8447]
_cell_length_b [4.5... |
oqmd-9040415 | N3Ni3V4Y2 | data_[Y8V16Ni12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9995]
_cell_length_b [5.1977... |
agm003030930 | AuRh2Zr2 | data_[Zr4Rh4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7786]
_cell_length_b [7.7786]
_cell_length_c [3.1335]
_... |
agm006013611 | CuNi12Ti4 | data_[Ti8Cu2Ni24]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.4633]
_cell_length_b [7.4633]
_cell_length_c [7.4633]
_... |
agm004807319 | CaNdTl4Tm2 | data_[Ca3Nd3Tm6Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3933]
_cell_length_b [5.... |
agm004822124 | Li2PaSe4Sr | data_[Sr2Li4Pa2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.8697]
_cell_length_b [5.... |
agm005525320 | Os4Y5 | data_[Y10Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4691]
_cell_length_b [8.4691]
_cell_length_c [6.2377]
_cell_angle_alpha [90.0000]
_cel... |
agm001666974 | Ba2LiPtTe | data_[Ba2Li1Te1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0729]
_cell_length_b [6... |
agm004933520 | Cl6Cs2KPm | data_[Cs4K2Pm2Cl12]
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
Pm 1.1300 1.8500 1.1100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9823]
_cell_length_b [8.... |
agm004164661 | IrKP2 | data_[K2P4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6781]
_cell_length_b [8.2579]
_cell_length_c [2.9181]
_cell_a... |
agm003612752 | Ac2HPb | data_[Ac8H4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9115]
_cell_length_b [6.5894]
_cell_length_c [12.1308]
_cel... |
agm002146063 | Cu2SnZr | data_[Zr4Cu8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4760]
_cell_length_b [6.4760]
_cell_length_c [6.4760]
_c... |
agm004747330 | DyGeNi2Zn2 | data_[Dy1Zn2Ni2Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3726]
_cell_length_b [4... |
agm004613292 | As2Ho6P3Te | data_[Ho12Te2As4P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7959]
_cell_length_b [4.0... |
agm004528373 | As4CuNi3Sr2 | data_[Sr2Cu1Ni3As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2829]
_cell_length_b [4.... |
agm001349973 | AgAuTbTm | data_[Tb4Tm4Ag4Au4]
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
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1972]
_cell_length_b [7.... |
agm002243707 | Os2Sr2Tl3 | data_[Sr4Tl6Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3110]
_cell_length_b [4.9627]
_cell_length_c [7.4865]
_c... |
agm004893894 | BaCrF8Zn2 | data_[Ba3Zn6Cr3F24]
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
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3571]
_cell_length_b [5.357... |
agm004464627 | LiSn | data_[Li3Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9172]
_cell_length_b [6.9172]
_cell_length_c [3.3722]
_cell_angle_alpha [90.0000]
_cell_... |
agm001044309 | AsPuZn | data_[Pu2Zn2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0554]
_cell_length_b [4.0554]
_cell_length_c [8.4856]
_... |
agm004394162 | BrPb | data_[Pb4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1650]
_cell_length_b [7.1650]
_cell_length_c [7.1650]
_cell_angle_alpha [90.0000]
_cell_... |
agm005497142 | C3K | data_[K2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7855]
_cell_length_b [5.7855]
_cell_length_c [4.0015]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005819491 | Ag6HoSm | data_[Sm2Ho2Ag12]
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 [9.3125]
_cell_length_b [4.5552]
_cell_length_c [9.0644]
_c... |
agm005836514 | Ni4Pt2V | data_[V2Ni8Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2902]
_cell_length_b [5.7746]
_cell_length_c [6.8862]
_cell_a... |
agm004307166 | P2SrY | data_[Sr3Y3P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0790]
_cell_length_b [4.0790]
_cell_length_c [21.8645]
_cell_a... |
agm003293582 | KNa | data_[K6Na6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6259]
_cell_length_b [7.6259]
_cell_length_c [12.7489]
_cell_angle_alpha [90.0000]
_cel... |
agm003709053 | CdHg3Y | data_[Y4Cd4Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.8964]
_cell_length_b [3.6175]
_cell_length_c [5.2012]
_ce... |
agm004461317 | HgNb | data_[Nb2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7227]
_cell_length_b [4.7227]
_cell_length_c [5.5402]
_cell_angle_alpha [90.0000]
_ce... |
agm006051618 | Bi4Na4Tl | data_[Na8Tl2Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.2364]
_cell_length_b [10.2364]
_cell_length_c [5.1089]... |
agm005937901 | Er2Tm2Zr | data_[Er16Tm16Zr8]
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
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.2310]
_cell_length_b [8.6404]
_cell_length_c [20.5362]
... |
agm004339550 | Al2IrK | data_[K2Al4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8191]
_cell_length_b [5.7268]
_cell_length_c [8.6147]
_cell... |
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