Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004030052 | P3Sc | data_[Sc1P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5715]
_cell_length_b [5.2679]
_cell_length_c [3.8737]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm004911847 | BaCo2F8Hg | data_[Ba1Co2Hg1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1199]
_cell_length_b [5.4284... |
agm004923025 | Ba2GaO6Os | data_[Ba8Ga4Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1055]
_cell_length_b [8.1... |
agm005192820 | InPbSnTb | data_[Tb1In1Sn1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7403]
_cell_length_b [4.7... |
agm006079787 | PbRu5Tb12 | data_[Tb24Ru10Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3724]
_cell_length_b [9.6503]
_cell_length_c [10.2566]
... |
agm002052437 | AuCaSbW2 | data_[Ca1Sb1W2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [3.0998]
_cell_length_b [6.2455]... |
agm001632397 | AuHMg2Na | data_[Na1Mg2H1Au1]
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
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4093]
_cell_length_b [4.4... |
agm003774469 | Pr6ThY | data_[Pr6Y1Th1]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1991]
_cell_length_b [5.1991]
_cell_length_c [10.3993]
_c... |
agm002404489 | B3GaTi | data_[Ti1Ga1B3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1959]
_cell_length_b [4.1959]
_cell_length_c [4.1959]
_cel... |
agm002198737 | AsNbTm | data_[Tm4Nb4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Nb 1.6000 1.4500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2741]
_cell_length_b [3.7774]
_cell_length_c [8.7098]
_ce... |
oqmd-3353954 | BaIrNb | data_[Ba4Nb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6475]
_cell_length_b [6.6475]
_cell_length_c [6.6475]
_c... |
agm005258337 | Mg6SiTi | data_[Mg12Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8243]
_cell_length_b [6.2477]
_cell_length_c [10.7111]
_... |
agm005721885 | Ho4Sm5Tm4 | data_[Sm10Ho8Tm8]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.8131]
_cell_length_b [12.8131]
_cell_length_c [5.0154]
... |
agm004805131 | AcDyLi2Tl4 | data_[Li6Ac3Dy3Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9825]
_cell_length_b [4.... |
agm2000074875 | As3Sr3Tl | data_[Sr3Tl1As3]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2849]
_cell_length_b [8.3149]
_cell_length_c [18.6197]
_c... |
agm001923942 | NaPr | data_[Na2Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5836]
_cell_length_b [3.5836]
_cell_length_c [11.5082]
_cell_angle_alpha [90.0000]
_cel... |
agm006015003 | Al12CdHo4 | data_[Ho8Al24Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.7511]
_cell_length_b [8.7511]
_cell_length_c [8.7511]
_... |
oqmd-4309945 | EuMoPd | data_[Eu4Mo4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6334]
_cell_length_b [6.6334]
_cell_length_c [6.6334]
_c... |
agm004422081 | AlRu2Tc | data_[Al2Tc2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9168]
_cell_length_b [4.6013]
_cell_length_c [8.5307]
_ce... |
agm003356196 | Dy3Er2Sc8 | data_[Dy6Er4Sc16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1782]
_cell_length_b [19.6223]
_cell_length_c [5.2328]
_... |
oqmd-8877830 | N2NiSnTa4 | data_[Ta4Ni1Sn1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1698]
_cell_length_b [3.16... |
agm002274024 | Ag2Dy3Fe7 | data_[Dy9Fe21Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1426]
_cell_length_b [5.1426]
_cell_length_c [25.9414]
_... |
agm001322761 | ErLuPmY | data_[Pm4Y4Er4Lu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9992]
_cell_length_b [7.99... |
agm001702232 | AuHgI2N | data_[Hg1Au1I2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2005]
_cell_length_b [6.200... |
agm005782533 | FeMoTi2 | data_[Ti4Fe2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.3497]
_cell_length_b [3.0267]
_cell_length_c [8.7698]
_ce... |
agm004799125 | AgAl2PmZn4 | data_[Pm3Al6Zn12Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3754]
_cell_length_b [4.... |
agm002831795 | GaGeOs2 | data_[Ga4Ge4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.2570]
_cell_length_b [7.2570]
_cell_length_c [5.0994]
_c... |
agm1000018907 | CrS2 | data_[Cr6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [20.2602]
_cell_length_b [2.9834]
_cell_length_c [20.2602]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005174497 | Dy2HoPmTe5 | data_[Pm1Dy2Ho1Te5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5212]
_cell_length_b [5... |
agm005631559 | ErNd6Y2 | data_[Nd12Y4Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4397]
_cell_length_b [17.7469]
_cell_length_c [3.6840]
_ce... |
agm003624547 | MoRh2Tc | data_[Tc4Mo4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4636]
_cell_length_b [9.6596]
_cell_length_c [4.4010]
_ce... |
agm005629530 | S3Tb6Tm2 | data_[Tb18Tm6S9]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7472]
_cell_length_b [3.7472]
_cell_length_c [73.1666]
_ce... |
agm004511685 | Au4Ge3InPm2 | data_[Pm2In1Ge3Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
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 [4.3291]
_cell_length_b [4.... |
agm001979692 | NpRu2Tc | data_[Np3Tc3Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7535]
_cell_length_b [2.7535]
_cell_length_c [28.7480]
_c... |
agm003433228 | Ce3In2Ru | data_[Ce12In8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8942]
_cell_length_b [10.4394]
_cell_length_c [8.2088]
_... |
agm002010728 | Ho2InSr | data_[Sr3Ho6In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6638]
_cell_length_b [3.6638]
_cell_length_c [35.7941]
_c... |
agm001941005 | Pu2RhSn | data_[Pu6Sn3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5000]
_cell_length_b [3.5000]
_cell_length_c [30.7812]
_c... |
agm001295372 | AcAsBrEu | data_[Ac4Eu4As4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6639]
_cell_length_b [7.... |
oqmd-4129965 | KO | data_[K4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9316]
_cell_length_b [5.9316]
_cell_length_c [5.9316]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm002986424 | Ba2KSe2 | data_[K2Ba4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3359]
_cell_length_b [9.3359]
_cell_length_c [4.0709]
_ce... |
agm001159423 | AcAlHo2 | data_[Ac1Ho2Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6203]
_cell_length_b [3.6203]
_cell_length_c [9.2319]
_... |
agm003725317 | NbO3Sb | data_[Nb4Sb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0828]
_cell_length_b [3.9246]
_cell_length_c [9.2954]
_ce... |
oqmd-6518496 | CoHo2Si2Ti | data_[Ho2Ti1Co1Si2]
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
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9425]
_cell_length_b [3.... |
agm001269286 | PmTmZn | data_[Pm1Tm1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9793]
_cell_length_b [4.9793]
_cell_length_c [3.7552]
_ce... |
agm2000122054 | HNi | data_[Ni2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.4034]
_cell_length_b [2.4034]
_cell_length_c [18.0480]
_cell_angle_alpha [90.0000]
_cell_... |
agm002293963 | AlNaNi | data_[Na4Al4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2250]
_cell_length_b [3.9296]
_cell_length_c [7.3531]
_ce... |
agm005037479 | N3PaPdPm | data_[Pm2Pa2Pd2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pa 1.5000 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5417]
_cell_length_b [3.5... |
agm003957482 | MnSe2Tc | data_[Mn2Tc2Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4998]
_cell_length_b [3.3226]
_cell_length_c [5.7368]
_ce... |
agm005987202 | Co5P2Sm | data_[Sm2Co10P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6017]
_cell_length_b [6.4010]
_cell_length_c [8.8855]
_cel... |
agm005025974 | AgErS3Sr | data_[Sr2Er2Ag2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1649]
_cell_length_b [4.0... |
agm005114445 | KS2Tm | data_[K3Tm3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9787]
_cell_length_b [3.9787]
_cell_length_c [22.4617]
_cell_a... |
agm005128927 | HoPmSm2 | data_[Pm3Sm6Ho3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6234]
_cell_length_b [3.6234]
_cell_length_c [35.1117]
_ce... |
agm004619258 | As6ErNd2Tm3 | data_[Nd4Er2Tm6As12]
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
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0303]
_cell_length_b [4... |
agm001389645 | HfOsScZr | data_[Hf4Zr4Sc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7419]
_cell_length_b [6.... |
agm003918739 | BeClHg2 | data_[Be4Hg8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1655]
_cell_length_b [7.1655]
_cell_length_c [7.1655]
_c... |
agm003303895 | La2Sm2Tb3 | data_[La4Tb6Sm4]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8623]
_cell_length_b [3.5422]
_cell_length_c [8.7132]
_c... |
agm002490963 | AsHRh3 | data_[As1H1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9213]
_cell_length_b [3.9213]
_cell_length_c [3.9213]
_cel... |
agm005849275 | MgNi3Sn2 | data_[Mg4Ni12Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4070]
_cell_length_b [6.3740]
_cell_length_c [13.2143]
_... |
agm003698744 | Er6MgTb8 | data_[Tb24Er18Mg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9475]
_cell_length_b [8.9475]
_cell_length_c [20.3153]
_... |
agm003597499 | Cl4PPu4 | data_[Pu8P2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9162]
_cell_length_b [6.9162]
_cell_length_c [10.7738]
_ce... |
agm004806026 | Al4IrPd2Pm | data_[Pm3Al12Ir3Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2692]
_cell_length_b [4.... |
agm003656946 | CTe5Zr4 | data_[Zr8Te10C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3905]
_cell_length_b [3.7038]
_cell_length_c [8.0171]
_ce... |
agm002786089 | Br2TeV | data_[V3Te3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5596]
_cell_length_b [3.5596]
_cell_length_c [35.0799]
_cel... |
agm001627655 | AuK2PbRb | data_[K2Rb1Pb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.4348]
_cell_length_b [6.4... |
agm004699675 | In3TbTe8Tm3 | data_[Tb3Tm9In9Te24]
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
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7127]
_cell_length_b [8.... |
agm005857361 | Ca2In9Sn | data_[Ca2In9Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7526]
_cell_length_b [4.7526]
_cell_length_c [14.1563]
... |
agm004507364 | Ge4K2Pt3Rh | data_[K2Ge4Pt3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3614]
_cell_length_b [4.36... |
agm003691876 | LiRh6Sm12 | data_[Li3Sm36Rh18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0294]
_cell_length_b [13.0294]
_cell_length_c [11.1904]... |
agm005935135 | CeDy2Tc2 | data_[Ce2Dy4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2411]
_cell_length_b [5.6922]
_cell_length_c [9.5003]
_ce... |
mp-1196018 | Co30Lu6P19 | data_[Lu6Co30P19]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [14.6109]
_cell_length_b [14.6109]
_cell_length_c [3.5442]
_c... |
agm005588717 | La3Pm2Sm4 | data_[La6Pm4Sm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0332]
_cell_length_b [3.6754]
_cell_length_c [11.0131]
_... |
agm004908908 | BiBr8Ca2Cs | data_[Cs1Ca2Bi1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8991]
_cell_length_b [9.3... |
agm005601102 | Cr3Se6Tl2 | data_[Tl4Cr6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4199]
_cell_length_b [11.1769]
_cell_length_c [7.8912]
_... |
agm005455700 | Ba4HgRh | data_[Ba16Hg4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.8285]
_cell_length_b [9.8285]
_cell_length_c [9.8285]
_... |
agm003451899 | Au2Cl4Pb | data_[Pb2Au4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.4709]
_cell_length_b [7.4709]
_cell_length_c [7.6891]
_ce... |
agm001999276 | Cd2NiRb | data_[Rb3Cd6Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6378]
_cell_length_b [4.6378]
_cell_length_c [19.5444]
_c... |
agm003353595 | Br8Ge3Tl2 | data_[Tl4Ge6Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1620]
_cell_length_b [8.3252]
_cell_length_c [7.2741]
_... |
mp-1047109 | AlCuO8W2 | data_[Al1Cu1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0826]
_cell_length_b [5.5972]
... |
agm005888748 | Pm4Sc2Tm | data_[Pm16Tm4Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4756]
_cell_length_b [22.7354]
_cell_length_c [6.4631]
_... |
agm001428405 | GaLiPtSb2 | data_[Li1Ga1Sb2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3313]
_cell_length_b [5... |
agm004741313 | Dy2LaPm2Pr | data_[La2Pm4Pr2Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.6453]
_cell_length_b [18.... |
agm005757662 | NdPrTb5 | data_[Tb20Pr4Nd4]
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
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8360]
_cell_length_b [6.8684]
_cell_length_c [12.2396]
... |
agm004852830 | BaNa2NbS4 | data_[Ba2Na4Nb2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8616]
_cell_length_b [6.... |
agm001836943 | CCeZr | data_[Ce2Zr2C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2833]
_cell_length_b [3.2833]
_cell_length_c [10.7356]
_cel... |
oqmd-9108017 | As2C2MnTi3 | data_[Ti3Mn1As2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1694]
_cell_length_b [3.169... |
agm001470872 | AsNi2TlY | data_[Y1Tl1Ni2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7586]
_cell_length_b [4.7... |
agm003545968 | Pb3PmPr3 | data_[Pm4Pr12Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9533]
_cell_length_b [13.6577]
_cell_length_c [8.2065]
... |
agm003973871 | TaY2 | data_[Y2Ta1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3515]
_cell_length_b [5.3515]
_cell_length_c [3.1826]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001389245 | ErPbRhSc | data_[Er4Sc4Rh4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0569]
_cell_length_b [7.... |
agm004800163 | AcAg4Ca2Sm | data_[Ca6Ac3Sm3Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3193]
_cell_length_b [5.... |
agm005741467 | Ba5OPd | data_[Ba20Pd4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0851]
_cell_length_b [11.2938]
_cell_length_c [11.9609]
_... |
agm004563744 | Cs2H2PaS4 | data_[Cs4Pa2H4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pa 1.5000 1.8000 1.0400
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7068]
_cell_length_b [7.6197]... |
oqmd-1939067 | O4WY2 | data_[Y16W8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.3985]
_cell_length_b [9.3985]
_cell_length_c [9.3985]
_cell_... |
agm001969593 | Er2GdRh | data_[Gd3Er6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7564]
_cell_length_b [3.7564]
_cell_length_c [27.9983]
_c... |
agm003873869 | Pb2PtZr | data_[Zr3Pt3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3222]
_cell_length_b [3.3222]
_cell_length_c [28.8799]
_c... |
agm004922421 | O6Rb2SiU | data_[Rb4U2Si2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5735]
_cell_length_b [5.57... |
oqmd-6542968 | C2Cl | data_[C16Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.4398]
_cell_length_b [6.4398]
_cell_length_c [6.4398]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001410239 | AcBiGdPr | data_[Ac4Pr4Gd4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Gd 1.2000 1.8000 1.0750
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0948]
_cell_length_b [8.... |
agm003360690 | La2Pr4Sm5 | data_[La4Pr8Sm10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5795]
_cell_length_b [9.4430]
_cell_length_c [23.7106]
_... |
oqmd-3263871 | CuTlYb | data_[Yb4Tl4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6520]
_cell_length_b [6.6520]
_cell_length_c [6.6520]
_c... |
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