Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003349397 | Ho3Pr6Tb2 | data_[Tb4Pr12Ho6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7733]
_cell_length_b [4.7733]
_cell_length_c [34.3539]... |
agm003558743 | Ac4SeTe3 | data_[Ac4Te3Se1]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.6119]
_cell_length_b [6.6119]
_cell_length_c [6.6119]
_c... |
agm005580104 | Ba3Sn3Tl2 | data_[Ba12Tl8Sn12]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1829]
_cell_length_b [12.9348]
_cell_length_c [17.3074]... |
oqmd-2075044 | Ce2Ir3Sb4 | data_[Ce8Sb16Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.3282]
_cell_length_b [4.6073]
_cell_length_c [11.1179]... |
agm005258683 | CFe15Si2Sm2 | data_[Sm4Fe30Si4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7174]
_cell_length_b [8.48... |
agm004539617 | Ac2Bi3PrRh4 | data_[Ac2Pr1Bi3Rh4]
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
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6995]
_cell_length_b [4.... |
oqmd-9912209 | B7EuH8O16 | data_[Eu2B14H16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7523]
_cell_length_b [7.0124]... |
agm004158965 | AsFePb2 | data_[Fe2As2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1489]
_cell_length_b [4.3465]
_cell_length_c [10.4526]
_c... |
agm005619951 | Ag6Au2Li3 | data_[Li6Ag12Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9883]
_cell_length_b [4.0976]
_cell_length_c [10.5922]
_... |
agm003461521 | Cd4SmZn2 | data_[Sm2Zn4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4490]
_cell_length_b [15.5322]
_cell_length_c [4.3959]
_c... |
agm003644951 | Au5BeZn4 | data_[Be1Zn4Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0683]
_cell_length_b [3.0683]
_cell_length_c [16.6055]
... |
agm005617399 | AcPr3Tl2 | data_[Ac1Pr3Tl2]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7911]
_cell_length_b [3.7911]
_cell_length_c [13.9168]
... |
agm005616886 | Sm2Zn6Zr | data_[Sm2Zr1Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.7829]
_cell_length_b [7.7829]
_cell_length_c [3.3885]
_... |
agm005180875 | HRhSbSm | data_[Sm1Sb1H1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6575]
_cell_length_b [4.65... |
oqmd-5845986 | C4CdH2N4S6 | data_[Cd4H8C16S24N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [... |
agm001987693 | AuEuI2 | data_[Eu3Au3I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5020]
_cell_length_b [4.5020]
_cell_length_c [28.4882]
_cel... |
agm001575170 | BaClInSc2 | data_[Ba1Sc2In1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8734]
_cell_length_b [5... |
agm001132992 | Er2HoTe | data_[Ho1Er2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [3.8305]
_cell_length_b [3.8305]
_cell_length_c [7.8173]
_... |
agm2000042450 | CdTl2 | data_[Tl6Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.5882]
_cell_length_b [8.5882]
_cell_length_c [17.6475]
_cell_angle_alpha [90.0000]
_cell_... |
agm005948393 | Au3RhZn4 | data_[Zn4Rh1Au3]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1701]
_cell_length_b [3.1701]
_cell_length_c [12.4018]
... |
agm002160678 | Hf2MgTl | data_[Hf8Mg4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0329]
_cell_length_b [7.0329]
_cell_length_c [7.0329]
_c... |
agm004303100 | RhRuZn2 | data_[Zn2Ru1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7519]
_cell_length_b [3.7708]
_cell_length_c [5.4231]
_ce... |
agm003890144 | CaOsW | data_[Ca1Os1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5696]
_cell_length_b [4.5696]
_cell_length_c [2.9682]
_cell... |
agm002001991 | H2HoU | data_[Ho3U3H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
U 1.3800 1.7500 0.9913
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4017]
_cell_length_b [3.4017]
_cell_length_c [18.3122]
_cell_... |
agm002581296 | CrS3Zn | data_[Zn1Cr1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4916]
_cell_length_b [4.4916]
_cell_length_c [4.4916]
_cel... |
agm2000093331 | Br3RuSe | data_[Ru2Se2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1615]
_cell_length_b [8.4580]
_cell_length_c [17.9748]
_cel... |
agm005540218 | Cd15Pt | data_[Cd15Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1370]
_cell_length_b [6.1370]
_cell_length_c [10.4597]
_cell_angle_alpha [90.0000]
_cel... |
agm004241503 | HgWY2 | data_[Y4Hg2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0889]
_cell_length_b [4.6824]
_cell_length_c [9.7281]
_cell_a... |
agm001983848 | ClEu2La | data_[La3Eu6Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8553]
_cell_length_b [3.8553]
_cell_length_c [32.0691]
_c... |
agm004746203 | Fe2NpP2Pa | data_[Np1Pa1Fe2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9250]
_cell_length_b [3.92... |
oqmd-9910532 | As6Be2Ca3O20Si2Ti | data_[Ca6Ti2Be4Si4As12O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_g... |
agm003719113 | AcCd3Cu | data_[Ac4Cd12Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3857]
_cell_length_b [4.4473]
_cell_length_c [11.8431]
_... |
agm005832896 | Cd10NaPt3 | data_[Na8Cd80Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.8649]
_cell_length_b [13.8649]
_cell_length_c [13.864... |
agm001535654 | MnNi2OTc | data_[Mn1Tc1Ni2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6047]
_cell_length_b [4.6... |
agm006066287 | Cd5In7K | data_[K2Cd10In14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0092]
_cell_length_b [10.6608]
_cell_length_c [10.9243]
_... |
agm2000133044 | CdCl6Mg2 | data_[Mg2Cd1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.4847]
_cell_length_b [6.4847]
_cell_length_c [17.8048]
_... |
oqmd-9130312 | Eu2O6TeV | data_[Eu4V2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.4901]
_cell_length_b [5.4901... |
agm003561374 | Hg3Se4Tl | data_[Tl2Hg6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.3805]
_cell_length_b [6.3805]
_cell_length_c [12.7034]
_... |
agm002832572 | AuGaW2 | data_[Ga4W8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1998]
_cell_length_b [7.1998]
_cell_length_c [5.4047]
_cel... |
oqmd-9140756 | CaO3Ta | data_[Ca4Ta4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0445]
_cell_length_b [10.1466]
_cell_length_c [7.4819]
_ce... |
agm005625146 | Cd3Cs2K9 | data_[Cs8K36Cd12]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.6636]
_cell_length_b [11.2156]
_cell_length_c [16.1034]
... |
agm001644806 | GaHHfTc2 | data_[Hf1Ga1Tc2H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0737]
_cell_length_b [4.0... |
agm004804512 | Au4Ca2PrSm | data_[Ca6Pr3Sm3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1869]
_cell_length_b [5.... |
agm003738737 | H4RuY | data_[Y4H16Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1592]
_cell_length_b [9.0450]
_cell_length_c [5.6114]
_cell_... |
agm003520417 | CaGa8Pt2 | data_[Ca1Ga8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8240]
_cell_length_b [5.8240]
_cell_length_c [7.9538]
_... |
agm005202666 | AsLaOTc | data_[La2Tc2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0634]
_cell_length_b [4.0... |
agm004076096 | Li2SbTc | data_[Li4Tc2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tc 1.9000 1.3500 0.7417
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2180]
_cell_length_b [2.8277]
_cell_length_c [5.2359]
_cell... |
oqmd-5493773 | BiCl6Cs2Tl | data_[Cs8Tl4Bi4Cl24]
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
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4618]
_cell_length_b [... |
agm003588648 | AuPd8Pt3 | data_[Pd16Pt6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.4280]
_cell_length_b [6.4280]
_cell_length_c [10.9385]... |
agm005909649 | Er8HgOs2 | data_[Er16Hg2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1480]
_cell_length_b [15.7055]
_cell_length_c [6.8947]
_... |
agm002384477 | AuOs2Yb3 | data_[Yb3Os2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6131]
_cell_length_b [3.6131]
_cell_length_c [9.4046]
_... |
agm003710273 | GeInPd3 | data_[In4Ge4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5152]
_cell_length_b [5.6551]
_cell_length_c [7.1771]
_cel... |
agm2000090076 | As3MnPb | data_[Mn2As6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3902]
_cell_length_b [5.8699]
_cell_length_c [18.5669]
_cel... |
oqmd-6746340 | GaNaSTe | data_[Na4Ga4Te4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3433]
_cell_length_b [9.4047]... |
agm003569108 | Ho3TbTe6 | data_[Tb6Ho18Te36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7872]
_cell_length_b [12.7872]
_cell_length_c [15.4482]... |
agm003359711 | Dy4Nd5Y2 | data_[Nd10Dy8Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8080]
_cell_length_b [6.7705]
_cell_length_c [6.6781]
_ce... |
agm004646164 | NP2Pr6Te3 | data_[Pr12Te6P4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [C2/m]
_cell_length_a [7.2572]
_cell_length_b [12.533... |
mp-554044 | C4H12K2NiO14 | data_[K4Ni2H24C8O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a ... |
agm005626787 | Ce3GeSe2 | data_[Ce6Ge2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2371]
_cell_length_b [5.9615]
_cell_length_c [12.6501]
_c... |
agm004944100 | MgRh6Sm2U | data_[Sm6Mg3U3Rh18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
U 1.3800 1.7500 0.9913
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7850]
_cell_length_b [5.78... |
agm004431053 | P2RuTc | data_[Tc1P2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9398]
_cell_length_b [3.6699]
_cell_length_c [5.1171]
_cell... |
agm005265268 | Al12Mg16Te | data_[Mg32Al24Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [10.6002]
_cell_length_b [10.6002]
_cell_length_c [10.600... |
agm005680805 | Be12Co5Zr2 | data_[Zr6Be36Co15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7526]
_cell_length_b [7.7526]
_cell_length_c [11.1907]
... |
agm004852119 | AuGeLi2Se4 | data_[Li4Ge2Au2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9533]
_cell_length_b [7... |
agm006122067 | Ac6CuSe5 | data_[Ac12Cu2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7885]
_cell_length_b [13.4432]
_cell_length_c [7.7522]
... |
oqmd-7111818 | CoOPSi | data_[Co2Si2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5387]
_cell_length_b [7.862... |
mp-1188207 | W5Zr3 | data_[Zr12W20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.6610]
_cell_length_b [10.6610]
_cell_length_c [5.3132]
_cell_angle_alpha [90.0000]
_ce... |
agm001327901 | AlCdLaNa | data_[Na4La4Al4Cd4]
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
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5242]
_cell_length_b [7.... |
oqmd-6500771 | HoNOTi | data_[Ho2Ti2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
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 [3.9459]
_cell_length_b [3.945... |
agm005544483 | Pt4W | data_[Pt12W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7748]
_cell_length_b [2.7748]
_cell_length_c [36.5834]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004294845 | PTa2Tc | data_[Ta2Tc1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2363]
_cell_length_b [3.2363]
_cell_length_c [6.1146]
_cell... |
agm003396692 | Ag2CaPd2 | data_[Ca4Ag8Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9917]
_cell_length_b [3.9917]
_cell_length_c [25.8468]
... |
agm003597683 | AcPbSm | data_[Ac2Sm2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.8742]
_cell_length_b [4.8742]
_cell_length_c [9.0889]
_... |
agm001840833 | CeNbZr | data_[Ce2Zr2Nb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5003]
_cell_length_b [3.5003]
_cell_length_c [10.7821]
_c... |
agm004423770 | BaOsTa2 | data_[Ba2Ta4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0719]
_cell_length_b [5.5747]
_cell_length_c [10.8330]
_c... |
agm003401548 | Ga2La2Y | data_[La8Y4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1796]
_cell_length_b [4.8000]
_cell_length_c [11.3271]
_ce... |
agm001097510 | PrSc2Y | data_[Pr4Y4Sc8]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7540]
_cell_length_b [7.7540]
_cell_length_c [7.7540]
_cel... |
agm004657267 | DyEr2Nd3Pr6 | data_[Pr12Nd6Dy2Er4]
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
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3539]
_cell_length_b [11... |
oqmd-9772829 | AuCoGe2Li4 | data_[Li4Co1Ge2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1994]
_cell_length_b [4.... |
agm004206229 | Co2FeIr | data_[Fe1Co2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.6146]
_cell_length_b [3.5692]
_cell_length_c [5.2047]
_ce... |
agm005090125 | I6NdRbSr | data_[Rb2Sr2Nd2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.3648]
_cell_length_b [8.3... |
agm005070806 | CsCuF6Ru | data_[Cs4Cu4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3391]
_cell_length_b [7.59... |
agm001223711 | HgHo2Sc | data_[Ho2Sc1Hg1]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7021]
_cell_length_b [4.7021]
_cell_length_c [4.6516]
_... |
oqmd-8904754 | AlAsN2Sc4 | data_[Sc4Al1As1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2528]
_cell_length_b [3.25... |
agm004303113 | Be2TaTl | data_[Ta1Be2Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9479]
_cell_length_b [3.8216]
_cell_length_c [5.4509]
_ce... |
agm005283677 | C3Fe2LiO9 | data_[Li2Fe4C6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5808]
_cell_length_b [7.5854]
... |
agm002816295 | ClIr2Rh | data_[Ir8Rh4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
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 [3.6863]
_cell_length_b [3.6863]
_cell_length_c [19.2127]
_... |
agm005540287 | Li15Rh | data_[Li15Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.8912]
_cell_length_b [5.8912]
_cell_length_c [9.5148]
_cell_angle_alpha [90.0000]
_cell... |
agm004297026 | CaOsSc2 | data_[Ca2Sc4Os2]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5317]
_cell_length_b [3.9090]
_cell_length_c [6.1179]
_cell... |
agm005726869 | Ba6Cs2Ir | data_[Cs6Ba18Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0812]
_cell_length_b [9.0812]
_cell_length_c [23.9191]
_c... |
agm005060559 | CaNiO4Pd | data_[Ca4Ni4Pd4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1607]
_cell_length_b [6.23... |
oqmd-6816172 | FeGa2Hf2Ir2Li | data_[Li1Hf2Ga2Fe1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm003030924 | Ir2ReZr2 | data_[Zr4Re2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.6367]
_cell_length_b [6.6367]
_cell_length_c [4.1943]
_... |
agm004594667 | AsGe2Se3Tb6 | data_[Tb12Ge4As2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0633]
_cell_length_b [4... |
agm001546385 | CuGePRe2 | data_[Cu1Re2Ge1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
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 [4.6879]
_cell_length_b [4.6... |
agm005113138 | BeH2Mn | data_[Mn3Be3H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.6596]
_cell_length_b [2.6596]
_cell_length_c [12.6202]
_cell... |
agm003726083 | Er3GaMg | data_[Er12Mg4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5087]
_cell_length_b [17.5088]
_cell_length_c [6.6480]
_... |
agm004871147 | CaDyPm2Sm4 | data_[Ca4Pm8Sm16Dy4]
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
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9100]
_cell_length_b [1... |
oqmd-6452685 | Ta4Ti25 | data_[Ta8Ti50]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.9507]
_cell_length_b [9.9507]
_cell_length_c [9.9507]
_cell_angle_alpha [90.0000]
_cell... |
agm004958724 | Sc2Se6TbTm | data_[Tb3Tm3Sc6Se18]
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
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9830]
_cell_length_b [6.98... |
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