Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004507192 | Be4GeNd2Pt3 | data_[Nd2Be4Ge1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0745]
_cell_length_b [4.... |
agm001271982 | GdMgPd | data_[Gd1Mg1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6540]
_cell_length_b [4.6540]
_cell_length_c [3.6068]
_c... |
agm001411421 | AcNdPrTb | data_[Ac4Tb4Pr4Nd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
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 [F-43m]
_cell_length_a [8.4135]
_cell_length_b [8.... |
agm004661693 | Ac3F2IrO6 | data_[Ac6Ir2O12F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9997]
_cell_length_b [6.990... |
agm005000355 | AcDyPrSm2 | data_[Ac4Pr4Sm8Dy4]
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
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.3675]
_cell_length_b [12.... |
agm005068647 | BrO6PuSb | data_[Pu4Sb4Br4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2953]
_cell_length_b [8.57... |
oqmd-7971946 | AuSi2 | data_[Si4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9472]
_cell_length_b [2.9472]
_cell_length_c [11.2470]
_cell_angle_alpha [90.0000]
_cel... |
agm006051753 | Er15Ho4Th | data_[Ho4Er15Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9777]
_cell_length_b [4.9777]
_cell_length_c [24.7799]... |
agm001187393 | Ho4PmY | data_[Pm4Y4Ho16]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.2976]
_cell_length_b [9.2976]
_cell_length_c [9.2976]
_ce... |
oqmd-2587212 | AgAsCuRu | data_[Cu4Ag4As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2107]
_cell_length_b [6.... |
agm005662250 | MoRhV2 | data_[V4Mo2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0280]
_cell_length_b [3.0465]
_cell_length_c [12.9746]
_cel... |
agm004307876 | La2ReSr | data_[Sr3La6Re3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2347]
_cell_length_b [4.2347]
_cell_length_c [29.7236]
_c... |
oqmd-3997635 | NbNi2Sc | data_[Sc4Nb4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1163]
_cell_length_b [6.1163]
_cell_length_c [6.1163]
_c... |
oqmd-5327662 | Co2SnTm2 | data_[Tm4Co4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7619]
_cell_length_b [13.6263]
_cell_length_c [3.8229]
_c... |
agm003364336 | Ac2Pr4Y5 | data_[Ac4Pr8Y10]
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/m]
_cell_length_a [13.0790]
_cell_length_b [6.9366]
_cell_length_c [10.9010]
_c... |
agm004299760 | Ba2CoPt | data_[Ba4Co2Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5535]
_cell_length_b [4.8361]
_cell_length_c [11.3247]
_c... |
agm001495534 | Cu2InPRu | data_[In1Cu2P1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6617]
_cell_length_b [4.6... |
agm004360328 | AuTl2W | data_[Tl6W3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1601]
_cell_length_b [3.1601]
_cell_length_c [29.7406]
_cell... |
agm003377143 | Ge4Pr3Sm4 | data_[Pr6Sm8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0534]
_cell_length_b [8.7874]
_cell_length_c [17.2302]
_c... |
agm005543111 | CsSe3 | data_[Cs4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4863]
_cell_length_b [13.2394]
_cell_length_c [6.8343]
_cell_angle_alpha [90.0000]
_cell... |
agm003727289 | Ba3FSi | data_[Ba12Si4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6599]
_cell_length_b [4.7504]
_cell_length_c [11.8398]
_c... |
oqmd-7482932 | AuHgTe3Tm | data_[Tm4Hg4Te12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0557]
_cell_length_b [15... |
oqmd-2530313 | CoRhSbW | data_[Co4Sb4Rh4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2593]
_cell_length_b [6.25... |
agm005776183 | Dy12ErY2 | data_[Dy48Y8Er4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1186]
_cell_length_b [11.1398]
_cell_length_c [24.2624]
_c... |
agm003567951 | In3MgNd5 | data_[Nd10Mg2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6060]
_cell_length_b [9.6060]
_cell_length_c [6.7785... |
agm004489609 | Ca4Ce2O2Sb3 | data_[Ca8Ce4Sb6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7229]
_cell_length_b [4.7... |
oqmd-3178323 | BVZn | data_[V4Zn4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.4100]
_cell_length_b [5.4100]
_cell_length_c [5.4100]
_cell_... |
oqmd-6281322 | N2Pb2SnSr2Yb5 | data_[Sr4Yb10Sn2Pb4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length... |
agm003374694 | Dy2In5La5 | data_[La10Dy4In10]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2147]
_cell_length_b [5.4783]
_cell_length_c [13.8760]... |
agm005015861 | DyGe2LiRu | data_[Li2Dy2Ge4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0666]
_cell_length_b [4.... |
agm003976261 | AuSbSc | data_[Sc4Sb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6530]
_cell_length_b [6.6530]
_cell_length_c [6.6530]
_c... |
agm001298307 | AcCuPtTb | data_[Ac4Tb4Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3149]
_cell_length_b [7.... |
agm002114270 | HfNiTc | data_[Hf2Tc2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.0558]
_cell_length_b [4.1534]
_cell_length_c [7.3887]
_... |
oqmd-6805867 | CuO6RhSr2 | data_[Sr8Cu4Rh4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8430]
_cell_length_b [7.8... |
agm001245053 | CaSb2Th | data_[Ca1Th1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6650]
_cell_length_b [5.6650]
_cell_length_c [3.5880]
_... |
agm005928811 | AgCd3Li4 | data_[Li8Cd6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6031]
_cell_length_b [4.6031]
_cell_length_c [13.2227]
... |
agm003454834 | P4UZr2 | data_[Zr8U4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7552]
_cell_length_b [12.2009]
_cell_length_c [12.2387]
_cel... |
agm004967667 | CoO6Pr2Sn | data_[Pr4Co2Sn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6122]
_cell_length_b [5.... |
agm004959366 | Cl6CuLi2Tl | data_[Li4Tl2Cu2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6393]
_cell_length_b [... |
agm002078701 | BrCaFHLi2 | data_[Li2Ca1H1Br1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3... |
agm001347451 | AuLaNaTe | data_[Na4La4Te4Au4]
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
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5720]
_cell_length_b [7.... |
agm005531997 | La2Pd5 | data_[La8Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [7.4809]
_cell_length_b [12.8316]
_cell_length_c [5.9518]
_cell_angle_alpha [90.0000]
_cell... |
agm006138370 | H3Ir4Mg2 | data_[Mg4H6Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.9629]
_cell_length_b [2.8366]
_cell_length_c [4.6234]
_cell_... |
agm005488822 | CSe | data_[C4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.9329]
_cell_length_b [4.9329]
_cell_length_c [4.9329]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-5041329 | CsCu3Eu2Te5 | data_[Cs4Eu8Cu12Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4268]
_cell_length_b [1... |
agm003828836 | InIrLi2 | data_[Li6In3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8843]
_cell_length_b [2.8843]
_cell_length_c [27.8220]
_c... |
oqmd-6100908 | Bi2Ho3RuY3 | data_[Y3Ho3Bi2Ru1]
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
Bi 2.0200 1.6000 1.0350
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3526]
_cell_length_b [8.35... |
agm005649812 | Nb2NiPt | data_[Nb8Ni4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4795]
_cell_length_b [7.1468]
_cell_length_c [6.4339]
_ce... |
agm001805319 | NTe2WZr | data_[Zr1Te2W1N1]
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
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4672]
_cell_length_b [5.467... |
agm004319990 | AlLa2W | data_[La4Al2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5020]
_cell_length_b [4.1330]
_cell_length_c [11.7179]
_cel... |
agm003703436 | I12La7Pm | data_[La21Pm3I36]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.7359]
_cell_length_b [16.7359]
_cell_length_c [10.8515]
_... |
agm006060340 | Hf4Ir3Mo | data_[Hf8Mo2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6651]
_cell_length_b [4.6651]
_cell_length_c [12.9262]
... |
agm002724544 | Mn2PPd | data_[Mn8P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7662]
_cell_length_b [5.7662]
_cell_length_c [5.7662]
_cel... |
agm004658639 | Er6PuSm3Tm2 | data_[Sm6Er12Tm4Pu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1036]
_cell_length_b [10... |
agm002876342 | CaMo2P | data_[Ca4Mo8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.6369]
_cell_length_b [4.6369]
_cell_length_c [17.5330]
_ce... |
agm005547298 | ScTb6 | data_[Tb12Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.3738]
_cell_length_b [6.3738]
_cell_length_c [11.1012]
_cell_angle_alpha [90.0000]
_ce... |
agm004211066 | CaPtZr2 | data_[Ca1Zr2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6682]
_cell_length_b [4.6489]
_cell_length_c [5.1129]
_ce... |
agm005835035 | GaPr3Sm | data_[Pr12Sm4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9936]
_cell_length_b [3.8076]
_cell_length_c [12.9120]
... |
agm004057757 | CdP2Te | data_[Cd2Te2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8097]
_cell_length_b [6.3462]
_cell_length_c [7.6171]
_cell... |
agm005614965 | Co2O6Sr3 | data_[Sr6Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8695]
_cell_length_b [3.8695]
_cell_length_c [20.3326]
_... |
oqmd-5602545 | FeN2Yb2 | data_[Yb8Fe4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5730]
_cell_length_b [4.8985]
_cell_length_c [6.4604]
_cel... |
agm004043942 | AuSbSc2 | data_[Sc2Sb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7434]
_cell_length_b [4.7434]
_cell_length_c [3.8116]
_... |
agm2000097868 | As2FeLi2 | data_[Li4Fe2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1346]
_cell_length_b [6.9044]
_cell_length_c [20.2143]
_c... |
agm001962754 | CeNb2W | data_[Ce3Nb6W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0741]
_cell_length_b [3.0741]
_cell_length_c [29.5034]
_cel... |
agm004615351 | CaCe2Sm3Te6 | data_[Ca2Ce4Sm6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4999]
_cell_length_b [4... |
agm002868326 | Br2NiOs | data_[Ni4Os4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.8131]
_cell_length_b [5.8131]
_cell_length_c [9.9922]
_c... |
oqmd-2484485 | CoGaLuZn | data_[Lu4Zn4Ga4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3205]
_cell_length_b [6.... |
agm003933892 | ClMo2Tc | data_[Tc2Mo4Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3253]
_cell_length_b [8.4610]
_cell_length_c [2.8955]
_ce... |
agm005714539 | Au6Sc2Tb | data_[Tb2Sc4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1254]
_cell_length_b [15.5428]
_cell_length_c [5.1466]
_... |
agm002509125 | GeLi3Mn | data_[Li3Mn1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7693]
_cell_length_b [4.7693]
_cell_length_c [4.7693]
_c... |
agm003544864 | Cs3HoS3 | data_[Cs12Ho4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
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 [9.5005]
_cell_length_b [14.6598]
_cell_length_c [8.5592]
_c... |
agm004654498 | Ce2N6PaPr3 | data_[Ce4Pr6Pa2N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
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 [6.2477]
_cell_length_b [10.8... |
agm001997610 | PmPtTl2 | data_[Pm3Tl6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6282]
_cell_length_b [3.6282]
_cell_length_c [30.5534]
_c... |
agm005701471 | Bi4In4Rb3 | data_[Rb6In8Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.7334]
_cell_length_b [9.7334]
_cell_length_c [9.7334]
_c... |
agm004755335 | Bi2K2SnTl | data_[K8Tl4Sn4Bi8]
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
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.9184]
_cell_length_b [15.71... |
agm001644937 | GeHNi2Pd | data_[Ni2Ge1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7377]
_cell_length_b [3.7... |
agm003398646 | AcPu2Si2 | data_[Ac2Pu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3678]
_cell_length_b [4.3678]
_cell_length_c [13.1545]
... |
oqmd-9435180 | Co2Dy7Te2 | data_[Dy14Co4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8324]
_cell_length_b [15.6841]
_cell_length_c [9.4758]
_... |
agm002394844 | AlBaTl3 | data_[Ba1Al1Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4480]
_cell_length_b [6.4480]
_cell_length_c [6.4480]
_c... |
agm005756993 | CrPt6U | data_[U1Cr1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7134]
_cell_length_b [5.7134]
_cell_length_c [4.0578]
_ce... |
agm004986779 | BiCrHo2O6 | data_[Ho2Cr1Bi1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3609]
_cell_length_b [5.360... |
agm005722861 | Ho16Sm6Tb7 | data_[Tb28Sm24Ho64]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [15.7378]
_cell_length_b [15.7378]
_cell_length_c [15.73... |
agm005813648 | AuMn2Zn6 | data_[Mn4Zn12Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7642]
_cell_length_b [7.3741]
_cell_length_c [13.1615]
_... |
agm003685876 | Au6CsTl12 | data_[Cs3Tl36Au18]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.9492]
_cell_length_b [13.9492]
_cell_length_c [10.0704... |
agm001452632 | AgN2PTc | data_[Tc1Ag1P1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8507]
_cell_length_b [3.850... |
agm004873256 | AcO7SbTa2 | data_[Ac1Ta2Sb1O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ta 1.5000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8937]
_cell_length_b [3.8... |
agm002475926 | Fe3RuY | data_[Y1Fe3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5949]
_cell_length_b [4.5949]
_cell_length_c [4.5949]
_cel... |
agm006027668 | PrTb4Tm4 | data_[Tb8Pr2Tm8]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7214]
_cell_length_b [5.6287]
_cell_length_c [6.9214]
_c... |
agm002962616 | BeFe2Pd2 | data_[Be2Fe4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1844]
_cell_length_b [7.1844]
_cell_length_c [2.7820]
_... |
agm002066414 | GaOs | data_[Ga2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.8489]
_cell_length_b [3.7695]
_cell_length_c [5.4231]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-2835345 | AsBeFeOs | data_[Be4Fe4As4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7175]
_cell_length_b [5.... |
agm004201322 | FeIr2Te | data_[Fe3Te3Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0095]
_cell_length_b [3.0095]
_cell_length_c [25.3742]
_c... |
agm001018890 | FHfTm | data_[Tm6Hf6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3283]
_cell_length_b [3.3283]
_cell_length_c [38.7000]
_cel... |
agm005009011 | Co2GaHTa | data_[Ta4Ga4Co8H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.7813]
_cell_length_b [11.71... |
agm001078433 | Si4V2W | data_[V4Si8W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6335]
_cell_length_b [4.6335]
_cell_length_c [12.1583]
_cel... |
agm001562155 | H2STaTe | data_[Ta1Te1H2S1]
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
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8710]
_cell_length_b [3.871... |
agm005633006 | Al9Ir2Y3 | data_[Y6Al18Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2967]
_cell_length_b [9.7056]
_cell_length_c [12.3517]
_ce... |
mp-1217130 | CuNiTi2 | data_[Ti2Cu1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8737]
_cell_length_b [4.2511]
_cell_length_c [4.5226]
_ce... |
agm003754422 | OPd4Sb | data_[Sb4Pd16O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [7.5009]
_cell_length_b [7.5009]
_cell_length_c [7.7812]
_c... |
oqmd-2332592 | AuGeW2 | data_[Ge4W8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4349]
_cell_length_b [6.4349]
_cell_length_c [6.4349]
_cel... |
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