material_id stringlengths 4 18 | formula_reduced stringlengths 1 17 | CIF stringlengths 763 1.71k | n_tokens stringclasses 445
values |
|---|---|---|---|
alex<agm002315076> | YbSe3 | data_[Yb4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [6.9686]
_cell_length_b [8.1931]
_cell_length_c [7.2640]
_cell_angle_alpha [90.0000]
_cell_... | 343 |
alex<agm004910337> | TlCrAg2F8 | data_[Tl1Cr1Ag2F8]
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
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0922]
_cell_length_b [6.786... | 501 |
alex<agm004526769> | Nd2Zn3SnPd4 | data_[Nd2Zn3Sn1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3629]
_cell_length_b [4.... | 537 |
alex<agm004795596> | SrLi(Cd2In)2 | data_[Sr3Li3Cd12In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
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 [5.1816]
_cell_length_b [5.... | 477 |
alex<agm003345532> | Tb2Dy3Er5 | data_[Tb8Dy12Er20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8068]
_cell_length_b [16.1548]
_cell_length_c [6.5263]... | 479 |
alex<agm004729782> | La3Tb(CeS2)4 | data_[La9Tb3Ce12S24]
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
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1307]
_cell_length_b [8.1... | 515 |
alex<agm003719163> | SrCdAu3 | data_[Sr2Cd2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9155]
_cell_length_b [6.9155]
_cell_length_c [5.9887]... | 373 |
alex<agm001009066> | MnPtAu | data_[Mn4Pt4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9671]
_cell_length_b [14.1467]
_cell_length_c [4.6459]
_c... | 371 |
alex<agm004611760> | Tb3Sm(HoS3)2 | data_[Tb6Sm2Ho4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8145]
_cell_length_b [11.7... | 508 |
alex<agm004842181> | MgZr(NbN2)2 | data_[Mg1Zr1Nb2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4179]
_cell_length_b [3.142... | 503 |
alex<agm004956594> | K2YTlF6 | data_[K6Y3Tl3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5882]
_cell_length_b [6.5882]
_c... | 506 |
alex<agm003642643> | Sm5Cu4Ag | data_[Sm5Cu4Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5643]
_cell_length_b [3.5643]
_cell_length_c [17.9723]
... | 473 |
alex<agm003163276> | Ca3Y | data_[Ca9Y3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7775]
_cell_length_b [3.7775]
_cell_length_c [38.1538]
_cell_angle_alpha [90.0000]
_cell_an... | 346 |
alex<agm004562108> | Pr4Dy2ErTm2 | data_[Pr8Dy4Er2Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3147]
_cell_length_b [5.... | 471 |
alex<agm001663652> | ScNi2BOs | data_[Sc1Ni2B1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9298]
_cell_length_b [3.9... | 434 |
alex<agm003553619> | Tm4Al3Cd | data_[Tm4Al3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6434]
_cell_length_b [4.5371]
_cell_length_c [11.6325]
_c... | 538 |
alex<agm003180793> | MgIrRh2 | data_[Mg2Ir2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8872]
_cell_length_b [3.8872]
_cell_length_c [7.8148]
_c... | 405 |
mp-1024962 | HoInCo4 | data_[Ho4In4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0341]
_cell_length_b [7.0341]
_cell_length_c [7.0341]
_... | 375 |
alex<agm004786951> | Na2NbPN4 | data_[Na4Nb2P2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2363]
_cell_length_b [5.2363]
... | 468 |
alex<agm002134804> | CeAlGe | data_[Ce4Al4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1857]
_cell_length_b [10.4667]
_cell_length_c [5.9137]
_c... | 371 |
alex<agm005018565> | PrCuSi2Pd | data_[Pr2Cu2Si4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1739]
_cell_length_b [4.... | 436 |
alex<agm003179482> | SrHgPb2 | data_[Sr1Hg1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9429]
_cell_length_b [4.9429]
_cell_length_c [5.0473]
_... | 372 |
alex<agm002388721> | Ca2Ge2Os2C | data_[Ca4Ge4Os4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1528]
_cell_length_b [4.17... | 438 |
alex<agm003298305> | Sr4Ni | data_[Sr4Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0249]
_cell_length_b [6.0249]
_cell_length_c [6.0249]
_cell_angle_alpha [90.0000]
_cell_... | 342 |
alex<agm002028456> | TiZnPt | data_[Ti4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0110]
_cell_length_b [3.9639]
_cell_length_c [5.5520]
_ce... | 371 |
alex<agm003161669> | BaSrP | data_[Ba1Sr1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5543]
_cell_length_b [4.5543]
_cell_length_c [7.7954]
_cell... | 372 |
alex<agm003046926> | CsBeSb | data_[Cs4Be4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0920]
_cell_length_b [4.1562]
_cell_length_c [11.8077]
_c... | 371 |
alex<agm005011440> | LaPr2AlO | data_[La1Pr2Al1O1]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0051]
_cell_length_b [5.0... | 435 |
alex<agm004807610> | Tb2PrTlHg4 | data_[Tb6Pr3Tl3Hg12]
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
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2137]
_cell_length_b [5.... | 475 |
alex<agm002340582> | Rb2LiCrH6 | data_[Rb8Li4Cr4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2000]
_cell_length_b [8.2... | 439 |
alex<agm002184155> | Sc3In3Rh2 | data_[Sc3In3Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5843]
_cell_length_b [7.5843]
_cell_length_c [3.2332]
_c... | 375 |
alex<agm004787323> | NaLi2TaO4 | data_[Na2Li4Ta2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.1462]
_cell_length_b [5.14... | 436 |
alex<agm004596499> | Pr6Ru2RhBr3 | data_[Pr12Ru4Rh2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1513]
_cell_length_b [12... | 506 |
alex<agm002235319> | Sm3Sn7Rh2 | data_[Sm3Sn7Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6628]
_cell_length_b [4.5699]
_cell_length_c [14.3001]
_c... | 506 |
alex<agm003335816> | Li3(CeHg2)2 | data_[Li12Ce8Hg16]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2226]
_cell_length_b [16.1299]
_cell_length_c [8.2871]
... | 446 |
alex<agm003162358> | ScMo | data_[Sc4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [3.3235]
_cell_length_b [4.8523]
_cell_length_c [9.6060]
_cell_angle_alpha [90.0000]
_cell_a... | 307 |
alex<agm004683925> | K3Ba3IO8 | data_[K9Ba9I3O24]
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
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7137]
_cell_length_b [7.7137]
... | 475 |
alex<agm002361504> | EuDy(BO3)2 | data_[Eu3Dy3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0392]
_cell_length_b [5.0392]... | 444 |
alex<agm004650917> | La6FePd2I3 | data_[La12Fe2Pd4I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3581]
_cell_length_b [12.7... | 506 |
alex<agm003327908> | Li3Ga3Ag2 | data_[Li6Ga6Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0301]
_cell_length_b [4.2070]
_cell_length_c [15.2744]
_c... | 440 |
mp-862260 | ScZn3 | data_[Sc2Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9074]
_cell_length_b [5.9074]
_cell_length_c [4.3941]
_cell_angle_alpha [90.0000]
_ce... | 310 |
alex<agm004504949> | Ba3Sr3TlIn2 | data_[Ba3Sr3Tl1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.7045]
_cell_length_b [9.... | 438 |
alex<agm004754059> | RbPr(SbAu)2 | data_[Rb1Pr1Sb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7380]
_cell_length_b [4.... | 438 |
alex<agm003745092> | Tm4AlCu | data_[Tm16Al4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6333]
_cell_length_b [13.3157]
_cell_length_c [5.5583]
_... | 408 |
mp-1215452 | ZnSnSb2 | data_[Zn1Sn1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5633]
_cell_length_b [4.5633]
_cell_length_c [6.3040]
_c... | 372 |
alex<agm001212210> | LiSmPd2 | data_[Li1Sm1Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3753]
_cell_length_b [4.3753]
_cell_length_c [3.8766]
_... | 371 |
alex<agm003447272> | Ba2GaSe4 | data_[Ba4Ga2Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7068]
_cell_length_b [6.3025]
_cell_length_c [9.5084]
_... | 472 |
alex<agm004628311> | Na3Y(InSe3)2 | data_[Na6Y2In4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0588]
_cell_length_b [12.2... | 508 |
alex<agm001013585> | YZrRu | data_[Y3Zr3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0871]
_cell_length_b [7.0871]
_cell_length_c [4.5770]
_cel... | 405 |
alex<agm002272644> | HoFeGe | data_[Ho2Fe2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1082]
_cell_length_b [4.1082]
_cell_length_c [6.4419]
_... | 371 |
alex<agm004649616> | Sm2Ho3Er6Sc | data_[Sm4Ho6Er12Sc2]
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
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0769]
_cell_length_b [10... | 506 |
alex<agm003178115> | Zr2CuRu | data_[Zr2Cu1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6448]
_cell_length_b [4.6448]
_cell_length_c [3.2764]
_... | 371 |
mp-1184914 | Li2EuIn | data_[Li8Eu4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1357]
_cell_length_b [7.1357]
_cell_length_c [7.1357]
_c... | 372 |
alex<agm004591193> | TbSi2Pt7Pb2 | data_[Tb2Si4Pt14Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9952]
_cell_length_b [... | 506 |
alex<agm001316550> | LaYCuAg | data_[La4Y4Cu4Ag4]
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
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3678]
_cell_length_b [7.36... | 434 |
alex<agm004754246> | LiCe(AlAu)2 | data_[Li1Ce1Al2Au2]
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
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4466]
_cell_length_b [4.... | 438 |
alex<agm004806637> | HoTm(ScRh2)2 | data_[Ho3Tm3Sc6Rh12]
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
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7022]
_cell_length_b [4.... | 477 |
alex<agm005197183> | CeSmCBr | data_[Ce3Sm3C3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7290]
_cell_length_b [3.7290... | 436 |
alex<agm002187094> | Sr3SiBr2 | data_[Sr6Si2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6504]
_cell_length_b [6.3093]
_cell_length_c [14.2073]
_c... | 406 |
alex<agm003391574> | Tm2Al2Ag | data_[Tm8Al8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6985]
_cell_length_b [4.5064]
_cell_length_c [10.4184]
_... | 441 |
alex<agm005206015> | SmYGaSi | data_[Sm2Y2Ga2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9894]
_cell_length_b [4.360... | 434 |
alex<agm001231419> | CeYRu2 | data_[Ce1Y1Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8535]
_cell_length_b [4.8535]
_cell_length_c [3.4584]
_ce... | 371 |
alex<agm004734709> | Sm8NiIr3I4 | data_[Sm24Ni3Ir9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3156]
_cell_length_b [8.3... | 513 |
alex<agm003141450> | LaScCd | data_[La2Sc2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3899]
_cell_length_b [5.3899]
_cell_length_c [6.7541]... | 372 |
alex<agm004825663> | LaDy2ErSe4 | data_[La1Dy2Er1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1298]
_cell_length_b [4.0... | 502 |
alex<agm005035808> | CsCrGaTe3 | data_[Cs2Cr2Ga2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7577]
_cell_length_b [3... | 502 |
alex<agm003177978> | ZnCuNi2 | data_[Zn1Cu1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.5972]
_cell_length_b [2.5972]
_cell_length_c [6.9041]
_ce... | 403 |
alex<agm005084247> | NaYMgBr6 | data_[Na2Y2Mg2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.0735]
_cell_length_b [7.0... | 440 |
alex<agm005204745> | NdYGaGe | data_[Nd2Y2Ga2Ge2]
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
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0625]
_cell_length_b [4.407... | 434 |
alex<agm003000153> | Na2P2Ir | data_[Na4P4Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.0006]
_cell_length_b [6.0006]
_cell_length_c [4.8454]
_ce... | 373 |
alex<agm005126497> | SrPr2Nd | data_[Sr3Pr6Nd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8023]
_cell_length_b [3.8023]
_cell_length_c [37.7120]
_ce... | 407 |
alex<agm004589053> | Cs7Bi(AuI)2 | data_[Cs14Bi2Au4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.7365]
_cell_length_b [31.4... | 540 |
alex<agm004572859> | Cs2Ag2PdF6 | data_[Cs4Ag4Pd2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3277]
_cell_length_b [6.1... | 473 |
alex<agm004523428> | Y2Ni4As3Ir | data_[Y2Ni4As3Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9908]
_cell_length_b [3.99... | 537 |
mp-756628 | Li4NbO4 | data_[Li16Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.4485]
_cell_length_b [7.0470]
_cell_length_c [6.4840]
_ce... | 442 |
alex<agm003288639> | Mg5In2 | data_[Mg20In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3631]
_cell_length_b [5.4195]
_cell_length_c [8.3216]
_cell_angle_alpha [90.0000]
_cell... | 378 |
alex<agm004602411> | Dy3Y(ErBi3)2 | data_[Dy6Y2Er4Bi12]
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
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4341]
_cell_length_b [4.4... | 541 |
alex<agm004826302> | TbCe2TmSe4 | data_[Tb1Ce2Tm1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1102]
_cell_length_b [4.0... | 502 |
alex<agm004820352> | Tm4SnBi2As | data_[Tm4Sn1Bi2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4477]
_cell_length_b [4.2... | 502 |
alex<agm003186055> | Fe3Ir | data_[Fe6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9148]
_cell_length_b [4.2002]
_cell_length_c [8.3684]
_cell_angle_alpha [90.0000]
_cell_a... | 341 |
alex<agm002180777> | RhPb4 | data_[Rh2Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.7277]
_cell_length_b [6.7277]
_cell_length_c [6.0448]
_cell_angle_alpha [90.0000]
_cell... | 309 |
alex<agm003295999> | Co2Mo | data_[Co8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6687]
_cell_length_b [4.6687]
_cell_length_c [7.6406]
_cell_angle_alpha [90.0000]
_ce... | 343 |
alex<agm002151154> | Ce2Ga3 | data_[Ce16Ga24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.2206]
_cell_length_b [15.3201]
_cell_length_c [5.8178]
_cell_angle_alpha [90.0000]
_ce... | 350 |
alex<agm004531175> | Sm2AlGa3Ni4 | data_[Sm2Al1Ga3Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0760]
_cell_length_b [4.... | 537 |
mp-1189011 | Ta3CrS6 | data_[Ta6Cr2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.7643]
_cell_length_b [5.7643]
_cell_length_c [12.2236]
_... | 411 |
alex<agm003178960> | Zn3Ag | data_[Zn9Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [8.9813]
_cell_length_b [8.9813]
_cell_length_c [2.7399]
_cell_angle_alpha [90.0000]
_cell_a... | 310 |
alex<agm003537884> | K2TlCd9 | data_[K6Tl3Cd27]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4778]
_cell_length_b [6.4778]
_cell_length_c [28.7291]
_ce... | 447 |
alex<agm003530090> | Nd8TlAg2 | data_[Nd16Tl2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8364]
_cell_length_b [5.2100]
_cell_length_c [8.0131]
_... | 475 |
alex<agm002389806> | PrIrF6 | data_[Pr4Ir4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6514]
_cell_length_b [8.6514]
_cell_length_c [8.6514]
_ce... | 375 |
alex<agm002113395> | NbNiIr | data_[Nb4Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5508]
_cell_length_b [3.9528]
_cell_length_c [5.4009]
_ce... | 404 |
alex<agm002164045> | LaZnN3 | data_[La2Zn2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6068]
_cell_length_b [5.6077]
_cell_length_c [7.1880]
_cell_... | 436 |
alex<agm003326106> | Tl2P2O7 | data_[Tl4P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1903]
_cell_length_b [9.7650]
_cell_length_c [4.8393]
_cell_... | 442 |
alex<agm002141796> | CaSn | data_[Ca1Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8648]
_cell_length_b [3.8648]
_cell_length_c [3.8648]
_cell_angle_alpha [90.0000]
_cell_... | 307 |
alex<agm001976871> | DyLu2Hg | data_[Dy3Lu6Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5478]
_cell_length_b [3.5478]
_cell_length_c [31.2022]
_c... | 376 |
alex<agm003053210> | SrCa3Pt | data_[Sr4Ca12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1838]
_cell_length_b [4.1924]
_cell_length_c [13.6774]
_c... | 606 |
alex<agm003174438> | LiZn2Cu | data_[Li1Zn2Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.6995]
_cell_length_b [3.7426]
_cell_length_c [5.3738]
_ce... | 370 |
alex<agm004869116> | TbY(Er2Sc)2 | data_[Tb4Y4Er16Sc8]
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
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9956]
_cell_length_b [6.9... | 607 |
alex<agm003541188> | CsNa2Tl9 | data_[Cs1Na2Tl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [11.1050]
_cell_length_b [11.1050]
_cell_length_c [3.7362]... | 409 |
alex<agm004723750> | Cs4LaSm3Se8 | data_[Cs12La3Sm9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7879]
_cell_length_b [8... | 513 |
alex<agm002344913> | MnCo2Ni | data_[Mn1Co2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5386]
_cell_length_b [3.5386]
_cell_length_c [3.5856]
_... | 371 |
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