Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm006056956 | Br6Na4V | data_[Na24V6Br36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.0929]
_cell_length_b [12.0929]
_cell_length_c [14.3756]
... |
agm004447019 | Co | data_[Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.6274]
_cell_length_b [10.6274]
_cell_length_c [2.3523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
agm006112317 | CePr5Tl6 | data_[Ce2Pr10Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5767]
_cell_length_b [16.7345]
_cell_length_c [7.8129]
... |
agm003463829 | CsIn4Tl2 | data_[Cs3Tl6In12]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3655]
_cell_length_b [5.3655]
_cell_length_c [29.5187]
_... |
agm002672476 | F2SSi | data_[Si4S4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0353]
_cell_length_b [6.0353]
_cell_length_c [6.0353]
_cell_... |
agm004532913 | Au4Ga3Pm2Sc | data_[Pm2Sc1Ga3Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3394]
_cell_length_b [4.... |
oqmd-7244947 | Pb2SiTc | data_[Si4Tc4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0077]
_cell_length_b [7.0077]
_cell_length_c [7.0077]
_c... |
agm005962822 | CS3Y6 | data_[Y12C2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4056]
_cell_length_b [7.1911]
_cell_length_c [11.2318]
_cell... |
agm004260174 | PSe2Ta | data_[Ta2P2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2103]
_cell_length_b [4.2103]
_cell_length_c [7.8194]
_cel... |
agm003604827 | CaLiPr | data_[Li2Ca2Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7275]
_cell_length_b [3.7275]
_cell_length_c [16.8724]
_... |
agm003340188 | La4N2Sb3 | data_[La8Sb6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8458]
_cell_length_b [4.3039]
_cell_length_c [10.6098]
_ce... |
agm005198201 | AsPTbY | data_[Tb1Y1As1P1]
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
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0769]
_cell_length_b [4.076... |
agm001458934 | BiBrFe2Zn | data_[Zn1Fe2Bi1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8002]
_cell_length_b [4... |
oqmd-6438752 | Nd2Si2Ti | data_[Nd4Ti2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5173]
_cell_length_b [4.5173]
_cell_length_c [13.8406... |
agm004644996 | Ac6I3Ir2Te | data_[Ac12Te2Ir4I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9429]
_cell_length_b [13.7... |
oqmd-2590044 | BCuLiZr | data_[Li4Zr4Cu4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
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 [5.8518]
_cell_length_b [5.85... |
oqmd-8957992 | CrCsPdTe3 | data_[Cs4Cr4Te12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.3778]
_cell_length_b [4... |
agm001404814 | AcEuInLa | data_[Ac4La4Eu4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2374]
_cell_length_b [8.... |
agm001275002 | HfThZr | data_[Hf1Th1Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Th 1.3000 1.8000 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1778]
_cell_length_b [5.1778]
_cell_length_c [3.3771]
_ce... |
oqmd-9155652 | CoS3TiTl | data_[Ti4Tl4Co4S12]
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
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4987]
_cell_length_b [14.5... |
agm005719189 | La7Tb16Tm6 | data_[La28Tb64Tm24]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [15.9793]
_cell_length_b [15.9793]
_cell_length_c [15.97... |
agm001035168 | NdSbTe | data_[Nd4Sb4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0649]
_cell_length_b [4.0649]
_cell_length_c [23.4584]
... |
agm001658585 | HIr2LiPd | data_[Li1H1Ir2Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8267]
_cell_length_b [3.8... |
agm002836326 | HMoNb2 | data_[Nb8Mo4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0178]
_cell_length_b [6.0178]
_cell_length_c [6.4224]
_cel... |
agm005539800 | Cd11Sn | data_[Cd44Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [12.1975]
_cell_length_b [12.1975]
_cell_length_c [7.7243]
_cell_angle_alpha [90.0000]
... |
mp-1197260 | F15HXe2 | data_[H4Xe8F60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Xe 2.6000 2.16 0.6200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [11.0171]
_cell_length_b [15.7750]
_cell_length_c [6.5549]
_cel... |
agm2000134751 | Au3Br8Te | data_[Te1Au3Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0229]
_cell_length_b [7.8267]
_cell_length_c [21.0507]
_cel... |
agm003014462 | Sc2SrTl2 | data_[Sr2Sc4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.0076]
_cell_length_b [9.0076]
_cell_length_c [3.4369]
_... |
agm005600730 | CaLa3Sm2 | data_[Ca8La24Sm16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.4230]
_cell_length_b [10.5643]
_cell_length_c [22.2794]... |
agm004276788 | InSr2Zr | data_[Sr2Zr1In1]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7518]
_cell_length_b [4.1046]
_cell_length_c [9.2342]
_ce... |
agm005084900 | Br6CrInRb | data_[Rb1Cr1In1Br6]
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
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.1813]
_cell_length_b [7.1... |
agm005563648 | Pt2Sr5Tl2 | data_[Sr20Tl8Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.6412]
_cell_length_b [8.1628]
_cell_length_c [8.2052]
_... |
agm005710170 | Ge4La5Sc4 | data_[La10Sc8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.6128]
_cell_length_b [12.6128]
_cell_length_c [4.3572]
... |
agm004807026 | Er4InRhTl2 | data_[Er12Tl6In3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2295]
_cell_length_b [5.... |
oqmd-8911365 | DyFeLiS3 | data_[Li4Dy4Fe4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.9611]
_cell_length_b [3.7... |
agm001150180 | GdNbPa2 | data_[Gd1Pa2Nb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9038]
_cell_length_b [3.9038]
_cell_length_c [6.6009]
_... |
agm003712296 | Ni3SnTh | data_[Th4Ni12Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8842]
_cell_length_b [16.6790]
_cell_length_c [4.5215]
_... |
agm1000017509 | N4Zr3 | data_[Zr6N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [17.4670]
_cell_length_b [17.4670]
_cell_length_c [4.3669]
_cell_angle_alpha [90.0000]
_cell... |
agm004606626 | Ce2K3Se6Tl | data_[K6Ce4Tl2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6846]
_cell_length_b [13.2... |
agm005505780 | Cu2MgSe2 | data_[Mg4Cu8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2042]
_cell_length_b [4.6822]
_cell_length_c [13.1099]
_c... |
agm005156070 | CuEr2PmSe5 | data_[Pm4Er8Cu4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9463]
_cell_length_b [... |
agm003504741 | AgCs6O2 | data_[Cs12Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1183]
_cell_length_b [6.2446]
_cell_length_c [11.2340]
_c... |
agm005582522 | Cl16Hg5Mn3 | data_[Mn6Hg10Cl32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6198]
_cell_length_b [7.6117]
_cell_length_c [12.3514]
_... |
agm005594831 | ErPmZn10 | data_[Pm1Er1Zn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2237]
_cell_length_b [5.3351]
_cell_length_c [9.2145]
_c... |
agm003580944 | CrF6Li3 | data_[Li12Cr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.7688]
_cell_length_b [7.1890]
_cell_length_c [10.2043]
_c... |
agm004660737 | CeDy2Ho6Pm3 | data_[Ce2Pm6Dy4Ho12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1748]
_cell_length_b [10... |
agm003156237 | BeCoHf | data_[Hf2Be2Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.0354]
_cell_length_b [3.0354]
_cell_length_c [8.7023]
_ce... |
agm003970250 | Cd2NaTl | data_[Na2Tl2Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2544]
_cell_length_b [5.4282]
_cell_length_c [12.5563]
_c... |
agm004828508 | Bi2NaS4Sm | data_[Na1Sm1Bi2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4369]
_cell_length_b [3.981... |
agm003061894 | CuLaSn | data_[La6Cu6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7190]
_cell_length_b [4.7190]
_cell_length_c [24.3134]
_c... |
agm004354477 | BaSrZr2 | data_[Ba2Sr2Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0467]
_cell_length_b [5.4190]
_cell_length_c [12.0731]
_c... |
agm002926282 | IIn2Pb2 | data_[In4Pb4I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2934]
_cell_length_b [4.2934]
_cell_length_c [17.9713]
_c... |
agm004627046 | Br3La6NS2 | data_[La12S4Br6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0818]
_cell_length_b [12.200... |
agm003488475 | CdHo2Sc6 | data_[Ho4Sc12Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3479]
_cell_length_b [9.6365]
_cell_length_c [14.4747]
_... |
agm001027562 | CuTaZr | data_[Zr6Ta6Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5200]
_cell_length_b [4.5200]
_cell_length_c [18.6330]
_c... |
agm001431555 | CrFe2ScTa | data_[Sc1Ta1Cr1Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2308]
_cell_length_b [4... |
agm2000065116 | F2Ge2Te3 | data_[Ge4Te6F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.1629]
_cell_length_b [7.8591]
_cell_length_c [9.3600]
_cel... |
agm005999646 | CuSc3Zn8 | data_[Sc9Zn24Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1762]
_cell_length_b [5.1762]
_cell_length_c [25.4035]
_c... |
agm001363550 | CrGaMoOs | data_[Cr4Ga4Mo4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1079]
_cell_length_b [6.... |
agm005131369 | CdCu2Pt5Y2 | data_[Y4Cd2Cu4Pt10]
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
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4024]
_cell_length_b [9.... |
agm005203824 | HInMgPr | data_[Pr2Mg2In2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4525]
_cell_length_b [4.4... |
agm005062601 | Br4LiNaPb | data_[Na4Li4Pb4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4474]
_cell_length_b [8.... |
agm003679528 | B5CeNi7 | data_[Ce2Ni14B10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7073]
_cell_length_b [8.1660]
_cell_length_c [6.8160]
_ce... |
agm002664635 | AsCr2Cu | data_[Cr8Cu4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9543]
_cell_length_b [5.9543]
_cell_length_c [5.9543]
_c... |
agm004704287 | K4Nb3O12Th | data_[K8Th2Nb6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3998]
_cell_length_b [8.399... |
agm002962930 | BeP2Ti2 | data_[Ti4Be2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2624]
_cell_length_b [6.2624]
_cell_length_c [3.4117]
_ce... |
agm005508387 | C3Tc2 | data_[Tc16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.4381]
_cell_length_b [8.8764]
_cell_length_c [5.3567]
_cell_angle_alpha [90.0000]
_cell_a... |
agm006016810 | Dy3Sc6Y | data_[Dy9Y3Sc18]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2684]
_cell_length_b [9.2684]
_cell_length_c [11.2588]
_cel... |
agm002502490 | CuKOs3 | data_[K1Cu1Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5687]
_cell_length_b [4.5687]
_cell_length_c [4.5687]
_cel... |
agm001666451 | Ag2GaPtRb | data_[Rb1Ga1Ag2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3784]
_cell_length_b [5... |
agm005705400 | Al11CrNp | data_[Np2Al22Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2367]
_cell_length_b [12.7644]
_cell_length_c [6.9968]
_... |
agm005468108 | BrCdTe4 | data_[Cd4Te16Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0195]
_cell_length_b [9.0195]
_cell_length_c [9.0195]
_... |
agm003955634 | CrIr2Zr | data_[Zr2Cr2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9339]
_cell_length_b [7.1342]
_cell_length_c [3.0530]
_ce... |
agm005503764 | P2Ru | data_[P6Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9258]
_cell_length_b [6.9258]
_cell_length_c [2.9474]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-2324114 | AgInLi2 | data_[Li8In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5303]
_cell_length_b [6.5303]
_cell_length_c [6.5303]
_c... |
agm005080995 | CaO6WZr | data_[Ca2Zr2W2O12]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.4155]
_cell_length_b [5.415... |
agm002600389 | HfRb3Si | data_[Rb3Hf1Si1]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.7148]
_cell_length_b [6.7148]
_cell_length_c [6.7148]
_c... |
agm2000123596 | Cl2Cs | data_[Cs1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7607]
_cell_length_b [4.7607]
_cell_length_c [17.6389]
_cell_angle_alpha [90.0000]
_cel... |
agm004061372 | ClIr2Se | data_[Ir8Se4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3999]
_cell_length_b [6.3999]
_cell_length_c [6.3999]
_c... |
agm003780156 | FeIr2Tl | data_[Tl3Fe3Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8783]
_cell_length_b [2.8783]
_cell_length_c [26.9109]
_ce... |
oqmd-2068029 | CsNa3O4Ti | data_[Cs4Na12Ti4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4823]
_cell_length_b [8.50... |
agm1000006851 | F3Ni | data_[Ni2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [18.1143]
_cell_length_b [2.8963]
_cell_length_c [18.1143]
_cell_angle_alpha [90.0000]
_cell_ang... |
oqmd-4692901 | NdNiTe3Tl | data_[Nd4Tl4Ni4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6972]
_cell_length_b [4... |
agm005166577 | ErHo5PmSm2 | data_[Pm4Sm8Ho20Er4]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7230]
_cell_length_b [... |
agm002731707 | Pb2STi | data_[Ti4Pb8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2542]
_cell_length_b [7.2542]
_cell_length_c [7.2542]
_cel... |
agm004646948 | Bi2K3PaTe6 | data_[K6Pa2Bi4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0523]
_cell_length_b [13.9... |
agm003849370 | AuMg2Mn | data_[Mg2Mn1Au1]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3780]
_cell_length_b [3.3780]
_cell_length_c [6.5226]
_ce... |
agm003619442 | CsK2P | data_[Cs4K8P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9539]
_cell_length_b [8.1625]
_cell_length_c [10.9560]
_cel... |
agm006076618 | Cd7Li4Rh | data_[Li4Cd7Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1813]
_cell_length_b [5.9005]
_cell_length_c [7.8253]
_cel... |
agm002364248 | O5S2Sm2Tb2 | data_[Tb4Sm4S4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1206]
_cell_length_b [4.12... |
agm004463817 | MgTl | data_[Mg6Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3563]
_cell_length_b [13.1340]
_cell_length_c [7.4391]
_cell_angle_alpha [90.0000]
_cell_... |
agm003640218 | IrRh4Y5 | data_[Y5Ir1Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3913]
_cell_length_b [3.3913]
_cell_length_c [17.6576]
_c... |
oqmd-9651777 | BHgOP | data_[Hg2B2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
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 [P4/nmm]
_cell_length_a [3.8523]
_cell_length_b [3.8523]... |
oqmd-1992201 | CrO3Pr | data_[Pr6Cr6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4972]
_cell_length_b [5.4972]
_cell_length_c [15.0515]
_cel... |
agm2000057698 | GdMn2N3 | data_[Gd1Mn2N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.6483
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3962]
_cell_length_b [3.5418]
_cell_length_c [19.3086]
_cel... |
agm001399255 | DyMgPrRh | data_[Pr4Dy4Mg4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2936]
_cell_length_b [7.... |
agm005801076 | PrPt2Si | data_[Pr2Si2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5314]
_cell_length_b [7.8386]
_cell_length_c [4.0451]
_ce... |
agm001491674 | SiSr2YZn | data_[Sr2Y1Zn1Si1]
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
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7333]
_cell_length_b [5.7... |
agm002281467 | HoIn | data_[Ho4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.0517]
_cell_length_b [6.0517]
_cell_length_c [6.0517]
_cell_angle_alpha [90.0000]
_cell_... |
agm002423228 | AgBe3Ca | data_[Ca1Be3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4322]
_cell_length_b [4.4322]
_cell_length_c [4.4322]
_c... |
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