Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm006083959 | Au7Pd4Tm | data_[Tm1Pd4Au7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8456]
_cell_length_b [6.4713]
_cell_length_c [6.5528]
_cel... |
agm005533729 | N4Pa3 | data_[Pa6N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8793]
_cell_length_b [3.5284]
_cell_length_c [6.0424]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004921862 | GeLa2NiPd6 | data_[La4Ni2Ge2Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9530]
_cell_length_b [5... |
oqmd-5659036 | LuNiPu | data_[Lu4Pu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pu 1.2800 1.7500 0.9675
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3698]
_cell_length_b [6.3698]
_cell_length_c [6.3698]
_c... |
mp-694056 | Al6BaMg2O30Si9 | data_[Ba2Mg4Al12Si18O60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length... |
agm006116431 | Hf5Tc6V | data_[Hf10V2Tc12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5709]
_cell_length_b [6.4539]
_cell_length_c [13.6767]
_c... |
agm005549915 | Er15La2Tb2 | data_[La6Tb6Er45]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1797]
_cell_length_b [11.1797]
_cell_length_c [17.4125]... |
agm006034433 | Ho2Tm8Zr | data_[Ho4Tm16Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6707]
_cell_length_b [4.8852]
_cell_length_c [7.7564]
_... |
agm005013389 | CInTbTh2 | data_[Tb1Th2In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0713]
_cell_length_b [5.0... |
agm001951513 | EuNiPb2 | data_[Eu3Ni3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7987]
_cell_length_b [3.7987]
_cell_length_c [29.3241]
_c... |
agm003364290 | Bi5Pt4Sr2 | data_[Sr4Bi10Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6337]
_cell_length_b [6.8428]
_cell_length_c [9.2405]
_... |
agm005696775 | IrRu2Sm6 | data_[Sm24Ir4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6374]
_cell_length_b [9.6658]
_cell_length_c [9.9553]
_c... |
agm002005739 | Ce2LiSb | data_[Li3Ce6Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2230]
_cell_length_b [3.2230]
_cell_length_c [35.9347]
_c... |
agm002560669 | Cs3OTl | data_[Cs3Tl1O1]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.2383]
_cell_length_b [7.2383]
_cell_length_c [7.2383]
_cel... |
agm003308872 | B3N2Pr2 | data_[Pr4B6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3980]
_cell_length_b [13.1817]
_cell_length_c [4.0430]
_cell_... |
agm002834971 | HPb2Re | data_[Re4H4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6266]
_cell_length_b [5.6266]
_cell_length_c [11.8084]
_ce... |
oqmd-8026152 | B4TlY | data_[Y2Tl2B8]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2277]
_cell_length_b [5.3484]
_cell_length_c [8.4856]
_cell_a... |
agm004627509 | HI3La6Pt2 | data_[La12H2Pt4I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3737]
_cell_length_b [12.706... |
agm005630347 | Al9Pm2Rh3 | data_[Pm8Al36Rh12]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2483]
_cell_length_b [7.5877]
_cell_length_c [10.5789]... |
agm002926607 | AgK2Sn2 | data_[K4Ag2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5859]
_cell_length_b [4.5859]
_cell_length_c [15.7285]
_c... |
agm003426444 | Au2Pb3Rb | data_[Rb4Pb12Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cmcm]
_cell_length_a [14.1411]
_cell_length_b [9.3236]
_cell_length_c [5.7958]
_... |
agm001389985 | AcCaGdSc | data_[Ca4Ac4Gd4Sc4]
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
Gd 1.2000 1.8000 1.0750
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2329]
_cell_length_b [8.... |
agm005709351 | CoY3Zn2 | data_[Y12Zn8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8459]
_cell_length_b [4.3561]
_cell_length_c [10.5308]
_c... |
agm004669180 | Bi2Cs3O8Pm | data_[Cs3Pm1Bi2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pm 1.1300 1.8500 1.1100
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5614]
_cell_length_b [6.56... |
agm002750706 | Pb2RhY | data_[Y4Rh4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1829]
_cell_length_b [7.1829]
_cell_length_c [7.1829]
_cel... |
agm002548930 | NaP3Rh | data_[Na1P3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6924]
_cell_length_b [4.6924]
_cell_length_c [4.6924]
_cel... |
agm003931902 | BaMg2Ta | data_[Ba3Mg6Ta3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1967]
_cell_length_b [3.1967]
_cell_length_c [34.8007]
_ce... |
agm003364836 | Ac2Ga4Nd5 | data_[Ac4Nd10Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9851]
_cell_length_b [6.9605]
_cell_length_c [9.3450]
_... |
agm002954184 | Al2MoRu2 | data_[Al4Mo2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0270]
_cell_length_b [7.0270]
_cell_length_c [2.9167]
_... |
oqmd-9926491 | CdEr2PrTl2Zn3 | data_[Pr2Er4Tl4Zn6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm004461588 | NaS | data_[Na6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [13.2583]
_cell_length_b [4.6865]
_cell_length_c [5.3599]
_cell_angle_alpha [90.0000]
_cell_... |
agm003708907 | GeLiSe3 | data_[Li4Ge4Se12]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0367]
_cell_length_b [8.4124]
_cell_length_c [10.8803]... |
agm003766050 | AlHV6 | data_[Al1V6H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3708]
_cell_length_b [4.9393]
_cell_length_c [4.9766]
_cell_an... |
agm001265972 | BaPdS | data_[Ba1Pd1S1]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4058]
_cell_length_b [4.4058]
_cell_length_c [4.3294]
_cel... |
agm003985434 | RhTaTe2 | data_[Ta2Te4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2107]
_cell_length_b [3.7558]
_cell_length_c [7.0942]
_cell... |
agm001428672 | AlMgPtRe2 | data_[Mg1Al1Re2Pt1]
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
Re 1.9000 1.3500 0.7125
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5010]
_cell_length_b [4... |
agm003035795 | AsBaCs | data_[Cs4Ba4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3289]
_cell_length_b [9.4119]
_cell_length_c [8.3675]
_ce... |
agm004892305 | H8Nb2TiZr | data_[Zr2Ti2Nb4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.5596]
_cell_length_b [4.5... |
oqmd-6963369 | TaTcTh | data_[Th4Ta4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5107]
_cell_length_b [6.5107]
_cell_length_c [6.5107]
_c... |
agm003814197 | IrLiRe2 | data_[Li2Re4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3441]
_cell_length_b [2.7319]
_cell_length_c [4.5845]
_ce... |
agm005968621 | Cd2ErPd8 | data_[Er2Cd4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2695]
_cell_length_b [10.9130]
_cell_length_c [4.3849]
_... |
mp-1301572 | MgMn2O4 | data_[Mg4Mn8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [3.1079]
_cell_length_b [10.0846]
_cell_length_c [9.3420]
_... |
agm005583317 | Ac3PrY2 | data_[Ac12Pr4Y8]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5806]
_cell_length_b [10.5936]
_cell_length_c [9.4429]
_ce... |
agm003808651 | K2PbTl | data_[K4Tl2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9207]
_cell_length_b [11.0818]
_cell_length_c [3.8715]
_cel... |
agm001429306 | As2BrLaNa | data_[Na1La1As2Br1]
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
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7628]
_cell_length_b [5... |
agm002975582 | FLa2Tl2 | data_[La4Tl4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1478]
_cell_length_b [7.1478]
_cell_length_c [5.5683]
_ce... |
agm005572841 | Cd3In17Tl2 | data_[Tl6Cd9In51]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4951]
_cell_length_b [11.4951]
_cell_length_c [17.3676]... |
agm006009816 | H10Nd4Pm | data_[Pm3Nd12H30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8623]
_cell_length_b [3.8623]
_cell_length_c [47.3205]
_c... |
agm001679839 | AsBr2CMo | data_[Mo1As1C1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6446]
_cell_length_b [4.6... |
agm006061740 | Cs4PPt5 | data_[Cs16P4Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [12.5085]
_cell_length_b [22.2015]
_cell_length_c [4.6125]
_... |
agm003507135 | Er2Hg6In | data_[Er2In1Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6803]
_cell_length_b [6.6803]
_cell_length_c [5.7611]
_c... |
agm001456936 | As2SbTeZr | data_[Zr1Sb1Te1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2072]
_cell_length_b [5... |
agm004213926 | Ni2TaTc | data_[Ta1Tc1Ni2]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6609]
_cell_length_b [4.2258]
_cell_length_c [4.8299]
_cell... |
agm003433455 | CoSi3Sm2 | data_[Sm16Co8Si24]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0670]
_cell_length_b [8.2953]
_cell_length_c [13.9232]
... |
agm001510387 | GeMoSbTc2 | data_[Tc2Ge1Sb1Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7597]
_cell_length_b [4... |
agm005997917 | OsTb4Tl3 | data_[Tb4Tl3Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5517]
_cell_length_b [3.5517]
_cell_length_c [16.2649]
... |
mp-555534 | K4MnMo4O15 | data_[K8Mn2Mo8O30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.5686]
_cell_length_b [10.568... |
agm005130853 | Ir2Ti5ZnZr2 | data_[Zr4Ti10Zn2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.5903]
_cell_length_b ... |
agm003760896 | AlHfPd5 | data_[Hf4Al4Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5701]
_cell_length_b [5.6322]
_cell_length_c [9.2263]
_c... |
agm001324190 | AgCdLiMg | data_[Li4Mg4Cd4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6711]
_cell_length_b [6.... |
agm003054964 | CaMnRh | data_[Ca4Mn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3833]
_cell_length_b [5.6446]
_cell_length_c [7.2843]
_ce... |
agm001471671 | AsP2PtTc | data_[Tc1As1P2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6583]
_cell_length_b [4.6... |
agm005946233 | H8NdTm2 | data_[Nd2Tm4H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6330]
_cell_length_b [5.2146]
_cell_length_c [10.9117]
_ce... |
agm002723479 | As2PRb | data_[Rb4As8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2317]
_cell_length_b [7.2317]
_cell_length_c [7.2317]
_cel... |
oqmd-9347508 | AsBrIPr2 | data_[Pr2As1I1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3059]
_cell_length_b [4.305... |
agm005984309 | C3SeY6 | data_[Y12C6Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2818]
_cell_length_b [3.6586]
_cell_length_c [12.6614]
_c... |
agm001257337 | Ho3N12Ta5 | data_[Ho24Ta40N96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.9163]
_cell_length_b [12.9163]
_cell_length_c [12.9163... |
oqmd-4604851 | CsFeS3Y | data_[Cs4Y4Fe4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0016]
_cell_length_b [15.597... |
oqmd-9365021 | DyO3Tm2 | data_[Dy1Tm2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3489]
_cell_length_b [3.3489]
_cell_length_c [8.2201]
_cel... |
agm003431243 | MgPd3Y2 | data_[Y4Mg2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3631]
_cell_length_b [5.5344]
_cell_length_c [10.9136]
_cel... |
agm004558788 | Dy2HoTm4Y2 | data_[Dy4Y4Ho2Tm8]
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
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4595]
_cell_length_b [3.55... |
oqmd-9900391 | Pd3Sn3Tb2Y | data_[Tb4Y2Sn6Pd6]
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
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0123]
_cell_length_b [13.08... |
agm003299558 | Co6Tm | data_[Tm1Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2622]
_cell_length_b [5.2622]
_cell_length_c [5.2622]
_cell_angle_alpha [90.0000]
_cell_... |
agm2000042412 | CF4 | data_[C1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.6111]
_cell_length_b [4.6111]
_cell_length_c [16.7967]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm005707254 | Ga4Li4Tm3 | data_[Li8Tm6Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4806]
_cell_length_b [6.6663]
_cell_length_c [14.3296]
_c... |
agm002439280 | AuCa3Zn | data_[Ca3Zn1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6752]
_cell_length_b [5.6752]
_cell_length_c [5.6752]
_c... |
agm001075756 | Cl4GeK2 | data_[K4Ge2Cl8]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2444]
_cell_length_b [5.2444]
_cell_length_c [15.9627]
_c... |
oqmd-6761397 | Ga4HoPt2Y | data_[Y2Ho2Ga8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6970]
_cell_length_b [4.359... |
agm002703584 | MoTcTl2 | data_[Tl8Tc4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6991]
_cell_length_b [6.6991]
_cell_length_c [6.6991]
_c... |
agm004124166 | CoCu2In | data_[In3Co3Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8567]
_cell_length_b [2.8567]
_cell_length_c [24.7698]
_ce... |
agm004904853 | ErMg2O8Os | data_[Er2Mg4Os2O16]
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
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5302]
_cell_length_b [6.82... |
agm003319483 | La7Pm2Sm2 | data_[La14Pm4Sm4]
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 [11.6327]
_cell_length_b [11.6770]
_cell_length_c [6.2758]
... |
oqmd-9024983 | AgMgSe3Sm | data_[Sm2Mg2Ag2Se6]
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
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8121]
_cell_length_b [3... |
agm004593350 | AcAu2Hg7Tl2 | data_[Ac2Tl4Hg14Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6076]
_cell_length_b [... |
agm003515639 | Er8TbTe2 | data_[Tb2Er16Te4]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8093]
_cell_length_b [8.6795]
_cell_length_c [5.6549]
_... |
agm003829262 | OsSbSi2 | data_[Si4Sb2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6079]
_cell_length_b [7.4651]
_cell_length_c [3.1085]
_ce... |
agm006103321 | Al5Cu8Zn | data_[Al10Zn2Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.8092]
_cell_length_b [6.8092]
_cell_length_c [8.5562]
_c... |
agm004241146 | CaHg2Mn | data_[Ca2Mn2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8970]
_cell_length_b [4.8735]
_cell_length_c [9.8574]
_ce... |
agm002763979 | BiF3 | data_[Bi3F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5678]
_cell_length_b [3.5678]
_cell_length_c [22.4424]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002335123 | CuPd2Th3 | data_[Th3Cu1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6294]
_cell_length_b [3.6294]
_cell_length_c [10.7796]
... |
oqmd-8986838 | Ag3LuO12Ru4 | data_[Lu2Ag6Ru8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.6145]
_cell_length_b [7.61... |
agm005285022 | CoLaTe | data_[La4Co4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5473]
_cell_length_b [6.5473]
_cell_length_c [6.5473]
_c... |
agm004165348 | CdPb2Rh | data_[Cd2Rh2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3926]
_cell_length_b [4.3926]
_cell_length_c [9.4915]
_c... |
agm004846837 | HoP4Pa2Th | data_[Ho1Th1Pa2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9481]
_cell_length_b [4.020... |
oqmd-6550273 | Au2Si2TbY | data_[Tb1Y1Si2Au2]
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
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3238]
_cell_length_b [4.323... |
oqmd-3208938 | TcTeYb | data_[Yb4Tc4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6271]
_cell_length_b [6.6271]
_cell_length_c [6.6271]
_c... |
agm005627599 | Au6Li2Pd3 | data_[Li2Pd3Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0791]
_cell_length_b [4.7558]
_cell_length_c [11.1344]
_ce... |
agm003131626 | AuOTi3 | data_[Ti6Au2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8733]
_cell_length_b [5.6449]
_cell_length_c [5.3475]
_ce... |
agm004949941 | AgO6Pm2Sb | data_[Pm6Ag3Sb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8729]
_cell_length_b [5.8729... |
oqmd-6593559 | CrO4Os | data_[Cr2Os2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3160]
_cell_length_b [6.3825]
_cell_length_c [3.1344]
_cell... |
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