Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-6096691 | CuPt2Tm3Zn3 | data_[Tm3Zn3Cu1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2438]
_cell_length_b [7.... |
agm005057592 | CPbPm4Sn | data_[Pm16Sn4Pb4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0351]
_cell_length_b [16.5... |
agm004306931 | FeMoY2 | data_[Y6Fe3Mo3]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3008]
_cell_length_b [3.3008]
_cell_length_c [27.1713]
_cel... |
agm2000136132 | AgB2GaO6 | data_[Ga1Ag1B2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [4.8729]
_cell_length_b [4.8729]... |
agm004192721 | FeHg2P | data_[Fe1Hg2P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9360]
_cell_length_b [2.9360]
_cell_length_c [8.6523]
_ce... |
oqmd-9162251 | FeO8Ru2Tl | data_[Tl1Fe1Ru2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6419]
_cell_length_b [5.64... |
mp-556502 | K2NiO10P2W | data_[K8Ni4P8W4O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a... |
agm004782742 | N4NbPrTm2 | data_[Pr4Tm8Nb4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4027]
_cell_length_b [11.9... |
agm003131377 | OSc3Tl | data_[Sc3Tl1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3917]
_cell_length_b [4.3271]
_cell_length_c [6.2891]
_cell... |
agm004951955 | MgO6Pb2Sc | data_[Mg3Sc3Pb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5878]
_cell_length_b [5.5878... |
agm003439407 | Ho3Mg2Zr | data_[Ho3Mg2Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4440]
_cell_length_b [3.4440]
_cell_length_c [13.6969]
... |
agm003364749 | Ag5Al4Pm2 | data_[Pm8Al16Ag20]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0503]
_cell_length_b [9.6635]
_cell_length_c [15.7877]
... |
agm002659318 | AuCl2Hf | data_[Hf4Au4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6876]
_cell_length_b [6.6876]
_cell_length_c [6.6876]
_c... |
agm005513966 | IrPt2 | data_[Ir4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1562]
_cell_length_b [5.1562]
_cell_length_c [8.7616]
_cell_angle_alpha [90.0000]
_ce... |
agm001722368 | AuFeIN2 | data_[Fe1Au1I1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7284]
_cell_length_b [3.728... |
agm001311227 | PaPuRuZn | data_[Pu4Pa4Zn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9158]
_cell_length_b [6.... |
agm004175620 | BeBr2Os | data_[Be2Os2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1159]
_cell_length_b [8.2416]
_cell_length_c [3.4715]
_ce... |
agm001517325 | AlBeP2Ti | data_[Ti1Be1Al1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2869]
_cell_length_b [4.2... |
agm001509860 | KNiSeSn2 | data_[K1Ni1Sn2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9349]
_cell_length_b [5.9... |
oqmd-4684088 | Ca2OS | data_[Ca8S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8865]
_cell_length_b [14.7556]
_cell_length_c [5.8066]
_cel... |
agm004494757 | Ac2Pt12Si3Zn | data_[Ac6Zn3Si9Pt36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2914]
_cell_length_b [8.... |
agm006071370 | Dy4HoNi2 | data_[Dy8Ho2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4804]
_cell_length_b [6.3676]
_cell_length_c [7.9068]
_... |
agm001098559 | CeEuSn2 | data_[Ce4Eu4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7835]
_cell_length_b [7.7835]
_cell_length_c [7.7835]
_c... |
agm003716870 | SbSc3Sn | data_[Sc6Sn2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9143]
_cell_length_b [5.9435]
_cell_length_c [7.4608]
_cel... |
agm005525541 | Ni4W5 | data_[Ni8W10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.4060]
_cell_length_b [7.4060]
_cell_length_c [5.2775]
_cell_angle_alpha [90.0000]
_cel... |
agm004560152 | Ag2Cs2Te4Tm | data_[Cs4Tm2Ag4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6311]
_cell_length_b [4.... |
agm004102498 | CrLi2Mg | data_[Li4Mg2Cr2]
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
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1627]
_cell_length_b [4.8809]
_cell_length_c [9.8135]
_ce... |
agm003753674 | AuCTb4 | data_[Tb16Au4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2367]
_cell_length_b [13.7921]
_cell_length_c [6.3304]
_ce... |
agm003527301 | Dy8SiTl2 | data_[Dy16Tl4Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0308]
_cell_length_b [5.0865]
_cell_length_c [6.7005]
_... |
mp-1197679 | NaO3Se | data_[Na16Se16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [22.6685]
_cell_length_b [5.9031]
_cell_length_c [10.4876]
... |
oqmd-8054746 | B4BaTl | data_[Ba1Tl1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.2431]
_cell_length_b [3.2431]
_cell_length_c [9.2764]
_ce... |
agm2000033882 | F3In2 | data_[In8F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [15.3593]
_cell_length_b [15.2447]
_cell_length_c [8.7841]
_cell_angle_alpha [90.0000]
_cell_... |
agm005930079 | Au3CdSm4 | data_[Sm4Cd1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6993]
_cell_length_b [5.2376]
_cell_length_c [10.5021]
_c... |
agm002827058 | F2INi | data_[Ni4I4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8842]
_cell_length_b [5.8842]
_cell_length_c [9.8656]
_ce... |
oqmd-7092986 | AsKORu | data_[K2As2Ru2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6589]
_cell_length_b [3.658... |
oqmd-6445072 | Co2GdInY | data_[Gd2Y2In2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9326]
_cell_length_b [3.818... |
agm004915570 | CeCsI8Pb2 | data_[Cs1Ce1Pb2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5409]
_cell_length_b [10.09... |
agm2000134907 | BiBr8Cu3 | data_[Cu3Bi1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.7002]
_cell_length_b [7.4940]
_cell_length_c [18.7084]
_cel... |
agm005188912 | InNaSbTl | data_[Na1Tl1In1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4784]
_cell_length_b [4.8... |
agm004750190 | Al2LaPd2Rh | data_[La1Al2Pd2Rh1]
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
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6672]
_cell_length_b [4... |
agm005494506 | C5Cr3 | data_[Cr3C5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.5922]
_cell_length_b [2.5922]
_cell_length_c [8.8882]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-6687854 | CCr2Ge2LuTm | data_[Tm2Lu2Cr4Ge4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a ... |
agm005702808 | NPbRb | data_[Rb2Pb2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9871]
_cell_length_b [4.1181]
_cell_length_c [11.3577]
_cell... |
agm003303634 | Al2Ni3Pm2 | data_[Pm8Al8Ni12]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.1830]
_cell_length_b [8.1830]
_cell_length_c [8.1830]
_... |
agm003764788 | LaTb6Y | data_[La1Tb6Y1]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0756]
_cell_length_b [5.0756]
_cell_length_c [10.1437]
_c... |
agm002804817 | BrHf2Tc | data_[Hf8Tc4Br4]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.8664]
_cell_length_b [5.8664]
_cell_length_c [13.1455]
_... |
agm001922663 | LuMnSmTb | data_[Tb4Sm4Lu4Mn4]
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
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5723]
_cell_length_b [7.... |
agm005688123 | BaSe2Sn | data_[Ba4Sn4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2279]
_cell_length_b [9.3725]
_cell_length_c [7.7229]
_ce... |
agm005096403 | Cl6CoKPt | data_[K2Co2Pt2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6604]
_cell_length_b [10.789... |
agm005904730 | Ga2SmTm2 | data_[Sm2Tm4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2083]
_cell_length_b [8.2083]
_cell_length_c [3.6859]
_... |
agm004231845 | HgMoTa2 | data_[Ta4Hg2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3059]
_cell_length_b [4.7360]
_cell_length_c [9.3428]
_ce... |
agm005836139 | Er5La2Y | data_[La8Y4Er20]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9110]
_cell_length_b [9.8494]
_cell_length_c [6.6698]
_ce... |
agm003809689 | InRe | data_[In3Re3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9588]
_cell_length_b [2.9588]
_cell_length_c [13.9588]
_cell_angle_alpha [90.0000]
_cell_... |
agm004589690 | Hg2O7TlV2 | data_[Tl3V6Hg6O21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.7180]
_cell_length_b [5.7180]... |
agm001140770 | Au2GdMn | data_[Gd1Mn1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.6483
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4373]
_cell_length_b [3.4373]
_cell_length_c [6.8502]
_... |
mp-545481 | Br2Ca2CuO2 | data_[Ca4Cu2Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8819]
_cell_length_b [3.8... |
agm003879309 | MoPTe | data_[Te4Mo4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1938]
_cell_length_b [6.1938]
_cell_length_c [6.1938]
_cel... |
agm002962443 | BeBr2Pb2 | data_[Be2Pb4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.1087]
_cell_length_b [9.1087]
_cell_length_c [3.6278]
_... |
agm002681797 | CdCr2H | data_[Cr8Cd4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3331]
_cell_length_b [6.3331]
_cell_length_c [6.3331]
_cel... |
agm003984512 | IrKRh2 | data_[K2Ir2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7240]
_cell_length_b [5.2333]
_cell_length_c [10.3478]
_cel... |
agm003752213 | Ac4PbPr | data_[Ac16Pr4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [12.2707]
_cell_length_b [12.2707]
_cell_length_c [7.7525... |
oqmd-3042507 | GdSiZr | data_[Gd4Zr4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6312]
_cell_length_b [6.6312]
_cell_length_c [6.6312]
_c... |
agm003955344 | CdClMn2 | data_[Mn2Cd1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1241]
_cell_length_b [3.2126]
_cell_length_c [7.6343]
_ce... |
agm003320305 | Se7Sn2Zr2 | data_[Zr4Sn4Se14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8940]
_cell_length_b [15.8900]
_cell_length_c [8.7541]
_... |
agm005571516 | Dy7Ga2Te2 | data_[Dy14Ga4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2779]
_cell_length_b [15.0180]
_cell_length_c [9.5262]
_... |
oqmd-9828219 | ErIn4Ni2Tm | data_[Er2Tm2In8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.4042]
_cell_length_b [4.2... |
agm004224510 | HgKRh2 | data_[K1Hg1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8711]
_cell_length_b [4.8219]
_cell_length_c [6.3773]
_cell... |
agm002234405 | CdPdYb | data_[Yb3Cd3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4450]
_cell_length_b [7.4450]
_cell_length_c [4.1537]
_c... |
agm003751569 | GaPm4Sm | data_[Pm8Sm2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4299]
_cell_length_b [3.7736]
_cell_length_c [8.7022]
_c... |
agm003930293 | BaClY2 | data_[Ba1Y2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7746]
_cell_length_b [5.4611]
_cell_length_c [7.1829]
_cell... |
mp-695957 | Br2H12NiO12 | data_[Ni4H48Br8O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [11.1315]
_cell_length_b [11.1... |
agm003989612 | As2ClPt | data_[As2Pt1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0247]
_cell_length_b [4.2566]
_cell_length_c [6.0939]
_ce... |
agm005718040 | Cu6F19Na4 | data_[Na8Cu12F38]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.2441]
_cell_length_b [9.2441]
_cell_length_c [9.2441]
_cel... |
agm002242497 | ScSiSr | data_[Sr4Sc4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0422]
_cell_length_b [4.6591]
_cell_length_c [8.3690]
_ce... |
agm005173816 | Ho2Se5TbTm | data_[Tb1Ho2Tm1Se5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0888]
_cell_length_b [5... |
agm003725400 | NdTb3Te | data_[Tb6Nd2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8816]
_cell_length_b [5.7271]
_cell_length_c [9.5226]
_... |
agm005082360 | BaCeIO6 | data_[Ba1Ce1I1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.8159]
_cell_length_b [5.8159]... |
oqmd-4130085 | KU | data_[K4U4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1335]
_cell_length_b [8.1335]
_cell_length_c [8.1335]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm001475594 | Ba2CrGaY | data_[Ba2Y1Cr1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3437]
_cell_length_b [6.3... |
agm003316154 | C2Pb2Pm5 | data_[Pm5Pb2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0480]
_cell_length_b [5.0480]
_cell_length_c [9.7389]
_ce... |
agm005503632 | In2W | data_[In6W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4781]
_cell_length_b [8.4781]
_cell_length_c [2.9648]
_cell_angle_alpha [90.0000]
_cell_an... |
agm2000063626 | BeNiTe2 | data_[Be1Ni1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.6033]
_cell_length_b [3.6033]
_cell_length_c [18.5123]
_... |
agm001290134 | AcGeInNd | data_[Ac4Nd4In4Ge4]
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
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8085]
_cell_length_b [7.... |
agm006187222 | LaV4 | data_[La1V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5618]
_cell_length_b [4.5618]
_cell_length_c [4.5618]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-6915197 | BMo5 | data_[B1Mo5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8984]
_cell_length_b [4.8984]
_cell_length_c [4.9134]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1176362 | C2Fe2Li3Na3O14P2 | data_[Na6Li6Fe4P4C4O28]
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
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_... |
agm004863652 | BiIn4PbTl2 | data_[Tl2In4Bi1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0465]
_cell_length_b [5... |
agm002906438 | La2PbZr | data_[La8Zr4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.8963]
_cell_length_b [8.8963]
_cell_length_c [6.2797]
_c... |
agm001402511 | AcCoDyRh | data_[Ac4Dy4Co4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0850]
_cell_length_b [7.... |
oqmd-9863715 | H2Mn3O16P4Sr2 | data_[Sr4Mn6P8H4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a... |
agm004220695 | IrOs2P | data_[P3Ir3Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8065]
_cell_length_b [2.8065]
_cell_length_c [24.3192]
_cel... |
agm002747634 | BiSbV2 | data_[V8Bi4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7142]
_cell_length_b [6.7142]
_cell_length_c [6.7142]
_cel... |
agm001381785 | AcLiOsPr | data_[Li4Ac4Pr4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3670]
_cell_length_b [7.... |
agm002603316 | Au3OsSi | data_[Si1Os1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0066]
_cell_length_b [5.0066]
_cell_length_c [5.0066]
_c... |
agm001968808 | AcHo2P | data_[Ac3Ho6P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7994]
_cell_length_b [3.7994]
_cell_length_c [31.6854]
_cel... |
agm001381556 | GdInLiSm | data_[Li4Sm4Gd4In4]
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
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5614]
_cell_length_b [7.... |
agm003311938 | Ho2Tc2Tm3 | data_[Ho4Tm6Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4748]
_cell_length_b [3.9810]
_cell_length_c [8.2715]
_c... |
agm005014024 | InNNd2Tb | data_[Tb1Nd2In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0434]
_cell_length_b [5.0... |
agm001249156 | CeFeRh2 | data_[Ce1Fe1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2305]
_cell_length_b [4.2305]
_cell_length_c [3.7430]
_... |
oqmd-4948729 | CdSnTe3Tm | data_[Tm4Cd4Sn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3703]
_cell_length_b [14... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.