Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001424962 | La2TcTeV | data_[La2V1Tc1Te1]
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
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3629]
_cell_length_b [5.3... |
oqmd-6594384 | Ag3IrLiTe4 | data_[Li1Ag3Te4Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.4601]
_cell_length_b [6.... |
agm004169876 | ClInRh2 | data_[In2Rh4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.7739]
_cell_length_b [3.7739]
_cell_length_c [9.7244]
_c... |
agm005860921 | Er2NdY4 | data_[Nd2Y8Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6840]
_cell_length_b [3.5494]
_cell_length_c [8.7643]
_cel... |
agm005515810 | Mg6Se6Zn | data_[Mg6Zn1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.6262]
_cell_length_b [6.6262]
_cell_length_c [7.8802]
_... |
agm003914918 | ReSe2W | data_[Re1W1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0139]
_cell_length_b [4.1371]
_cell_length_c [5.5035]
_cell... |
agm001170991 | AcBaPb4 | data_[Ba4Ac4Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.4561]
_cell_length_b [9.4561]
_cell_length_c [9.4561]
_... |
agm002708431 | NPTl2 | data_[Tl8P4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9058]
_cell_length_b [6.9058]
_cell_length_c [6.9058]
_cell_... |
agm005739979 | La4Pm9Tl11 | data_[La8Pm18Tl22]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.6566]
_cell_length_b [23.6927]
_cell_length_c [3.6564]... |
agm002672757 | FIn2Pd | data_[In8Pd4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6429]
_cell_length_b [6.6429]
_cell_length_c [6.6429]
_cel... |
agm004209310 | FePtSb | data_[Fe1Sb1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1042]
_cell_length_b [4.1042]
_cell_length_c [3.8349]
_ce... |
agm004058660 | AsBaSi2 | data_[Ba2Si4As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5564]
_cell_length_b [6.1632]
_cell_length_c [9.3157]
_ce... |
agm002545824 | NaRb3Ru | data_[Rb3Na1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.3273]
_cell_length_b [6.3273]
_cell_length_c [6.3273]
_c... |
agm002890503 | Hg2ReSi | data_[Re4Si4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.7325]
_cell_length_b [7.7325]
_cell_length_c [5.2361]
_c... |
agm004299029 | Os2PtSe | data_[Os2Pt1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0415]
_cell_length_b [3.9999]
_cell_length_c [5.3040]
_ce... |
agm004995179 | AuNaScSe2 | data_[Na2Sc2Au2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8469]
_cell_length_b [4.9... |
agm004464563 | LiTe | data_[Li8Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.0823]
_cell_length_b [8.5503]
_cell_length_c [8.3084]
_cell_angle_alpha [90.0000]
_cell_a... |
agm002658416 | Cd2InRe | data_[Cd8In4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7893]
_cell_length_b [6.7893]
_cell_length_c [6.7893]
_c... |
agm2000045172 | Fe3N4 | data_[Fe6N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.7265]
_cell_length_b [6.7265]
_cell_length_c [17.6698]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005437839 | In4SbZn | data_[Zn4In16Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.7527]
_cell_length_b [8.7527]
_cell_length_c [8.7527]
_... |
agm005406322 | Ca6Ce | data_[Ca12Ce2]
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
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.0920]
_cell_length_b [9.0920]
_cell_length_c [9.0920]
_cell_angle_alpha [90.0000]
_cell... |
agm001500273 | CoNiSc2V | data_[Sc2V1Co1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
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 [4.8280]
_cell_length_b [4.8... |
agm004608647 | Dy2Pr3Se6Tb | data_[Tb2Pr6Dy4Se12]
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
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1389]
_cell_length_b [12... |
agm005808526 | ClHg12In7 | data_[In21Hg36Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.5886]
_cell_length_b [14.5886]
_cell_length_c [8.9878]
... |
agm004166266 | InScTa | data_[Sc2Ta2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1497]
_cell_length_b [4.0252]
_cell_length_c [9.7584]
_ce... |
agm005989187 | Ir3LaSi7 | data_[La6Si42Ir18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.7113]
_cell_length_b [7.7113]
_cell_length_c [20.4226]
... |
agm001033806 | PmSZr | data_[Pm8Zr8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3418]
_cell_length_b [4.3983]
_cell_length_c [7.5517]
_cel... |
agm001951364 | Gd2INi | data_[Gd6Ni3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0491]
_cell_length_b [4.0491]
_cell_length_c [23.7413]
_cel... |
agm001319050 | AuInTmY | data_[Y4Tm4In4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3432]
_cell_length_b [7.34... |
oqmd-6620284 | Cu3O4ReTl | data_[Tl1Cu3Re1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.2635]
_cell_length_b [5.26... |
agm002587085 | Cs3STe | data_[Cs3Te1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.6079]
_cell_length_b [6.6079]
_cell_length_c [6.6079]
_cel... |
agm005732795 | HoLaTm3 | data_[La4Ho4Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4591]
_cell_length_b [11.7729]
_cell_length_c [10.2861]
... |
oqmd-6481651 | AsGePd2Yb | data_[Yb2Ge2As2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3528]
_cell_length_b [4.3... |
agm004581125 | Ag2Hg2O6Te | data_[Ag4Hg4Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5854]
_cell_length_b [10.3... |
agm004703951 | Ac4Al3NaO12 | data_[Na2Ac8Al6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.9146]
_cell_length_b [7.9... |
agm004535281 | Al3MgPm2Zn4 | data_[Pm2Mg1Al3Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2926]
_cell_length_b [4.... |
agm006135355 | MnTe5Th6 | data_[Th12Mn2Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8795]
_cell_length_b [13.3435]
_cell_length_c [7.5601]
... |
agm005859945 | Ag2Ho2Tm | data_[Ho8Tm4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6032]
_cell_length_b [26.6753]
_cell_length_c [5.1929]
_c... |
agm003944892 | PPt2Sb | data_[Sb2P2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9510]
_cell_length_b [3.2108]
_cell_length_c [6.1610]
_cell_a... |
agm004389895 | MnMo2Te | data_[Mn1Te1Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2317]
_cell_length_b [4.3530]
_cell_length_c [4.4985]
_ce... |
oqmd-6356323 | Pr3RuSn | data_[Pr18Sn6Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.8598]
_cell_length_b [8.8598]
_cell_length_c [12.1540]
_... |
agm002848936 | BBa2Li | data_[Ba8Li4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [11.4184]
_cell_length_b [11.4184]
_cell_length_c [4.5983]
_c... |
agm005825338 | HNiPd3 | data_[Ni1H1Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8449]
_cell_length_b [2.8449]
_cell_length_c [7.4274]
_ce... |
agm005868425 | BiLa3O2 | data_[La6Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8524]
_cell_length_b [4.8524]
_cell_length_c [12.2719]
_c... |
agm003878544 | BeMgW | data_[Mg4Be4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6891]
_cell_length_b [5.6891]
_cell_length_c [5.6891]
_cel... |
agm001327900 | AlBaCdNa | data_[Ba4Na4Al4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7005]
_cell_length_b [7.... |
agm001292943 | AuTiTmZn | data_[Tm4Ti4Zn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7845]
_cell_length_b [6.... |
agm002470313 | BrF3Ti | data_[Ti1Br1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0870]
_cell_length_b [4.0870]
_cell_length_c [4.0870]
_cel... |
agm002840790 | In2TeTl | data_[Tl4In8Te4]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0664]
_cell_length_b [7.0664]
_cell_length_c [13.0083]
_... |
agm003074722 | HMnPd3 | data_[Mn2H2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.7455]
_cell_length_b [5.4071]
_cell_length_c [12.5265]
_cel... |
agm2000021723 | Cu2S | data_[Cu8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.1820]
_cell_length_b [20.8243]
_cell_length_c [4.1426]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002494763 | BrH3Mn | data_[Mn1H3Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9518]
_cell_length_b [3.9518]
_cell_length_c [3.9518]
_cel... |
agm004999599 | ErO2SbTb | data_[Tb2Er2Sb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8482]
_cell_length_b [3.848... |
oqmd-5088947 | MoTaW2 | data_[Ta4Mo4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4077]
_cell_length_b [6.4077]
_cell_length_c [6.4077]
_cel... |
agm005203490 | BiHgPrSn | data_[Pr1Sn1Hg1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6921]
_cell_length_b [4.8... |
agm005753710 | AlPd6Ti | data_[Ti1Al1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9264]
_cell_length_b [3.9264]
_cell_length_c [7.7947]
_... |
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