Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002541419 | NOPt3 | data_[Pt3N1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1208]
_cell_length_b [4.1208]
_cell_length_c [4.1208]
_cell_... |
agm002641525 | BHgRu2 | data_[Hg4B4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0735]
_cell_length_b [6.0735]
_cell_length_c [6.0735]
_cel... |
agm001289168 | DyGeLaTl | data_[La4Dy4Tl4Ge4]
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
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5705]
_cell_length_b [7.... |
agm001612325 | CdCoLi2N | data_[Li2Cd1Co1N1]
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
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2562]
_cell_length_b [4.2... |
agm003428035 | Ag3AlTb2 | data_[Tb16Al8Ag24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.8510]
_cell_length_b [9.4086]
_cell_length_c [16.4587]
... |
agm002921377 | FeY2Zn2 | data_[Y4Zn4Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4468]
_cell_length_b [3.4468]
_cell_length_c [17.7580]
_c... |
agm005778798 | AcCd3Ni | data_[Ac2Cd6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6713]
_cell_length_b [6.2068]
_cell_length_c [6.7232]
_... |
agm002649642 | BaBrRh2 | data_[Ba4Rh8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0366]
_cell_length_b [7.0366]
_cell_length_c [7.0366]
_c... |
agm001328610 | CaCdPrTl | data_[Ca4Pr4Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7689]
_cell_length_b [7.... |
agm003683136 | DyNd8Pm5 | data_[Pm10Nd16Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8143]
_cell_length_b [9.8143]
_cell_length_c [10.3125]
_... |
agm2000016015 | ClIn | data_[In2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0171]
_cell_length_b [6.9458]
_cell_length_c [18.3222]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005796496 | GeNd6Si2 | data_[Nd24Si8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7532]
_cell_length_b [10.0147]
_cell_length_c [10.3646]
... |
agm001033959 | ClPS | data_[P4S4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6501]
_cell_length_b [3.1005]
_cell_length_c [8.6120]
_cell_... |
agm003927391 | Ba2BeCa | data_[Ba4Ca2Be2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8409]
_cell_length_b [4.7370]
_cell_length_c [18.5439]
_c... |
agm003881201 | CdClIr2 | data_[Cd2Ir4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3084]
_cell_length_b [2.9417]
_cell_length_c [7.7526]
_cell... |
agm001426431 | AgFe2PtSc | data_[Sc1Fe2Ag1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5641]
_cell_length_b [4... |
agm005887035 | MoReTc3 | data_[Re2Tc6Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9999]
_cell_length_b [5.0931]
_cell_length_c [7.1552]
_cel... |
agm001189136 | Cu4UV | data_[U4V4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0471]
_cell_length_b [7.0471]
_cell_length_c [7.0471]
_cell... |
agm004040603 | BrFeSi2 | data_[Fe2Si4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7118]
_cell_length_b [7.6739]
_cell_length_c [2.9658]
_ce... |
agm004090545 | AsCoTl | data_[Tl1Co1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4190]
_cell_length_b [3.4190]
_cell_length_c [5.8013]
_ce... |
agm005088632 | I6LiSrY | data_[Sr2Li2Y2I12]
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
Y 1.2200 1.8000 1.0400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.7392]
_cell_length_b [7.739... |
agm004705754 | In4N3Pr12Sn | data_[Pr24In8Sn2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.5765]
_cell_length_b [10... |
agm003698715 | MgPr6Sm8 | data_[Pr18Sm24Mg3]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2304]
_cell_length_b [9.2304]
_cell_length_c [21.0200]
_... |
agm004720238 | As3Pr8S4Se | data_[Pr24As9Se3S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4338]
_cell_length_b [8.4... |
agm001614881 | HIrTcW2 | data_[Tc1H1Ir1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0142]
_cell_length_b [4.014... |
agm003760018 | CrNiPd5 | data_[Cr4Ni4Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4177]
_cell_length_b [8.6275]
_cell_length_c [6.9022]
_c... |
agm005915814 | NTeTl3 | data_[Tl6Te2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7914]
_cell_length_b [7.0608]
_cell_length_c [9.7923]
_cell_... |
agm005737009 | O5PuTm | data_[Tm4Pu4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1534]
_cell_length_b [6.4452]
_cell_length_c [8.0334]
_cel... |
oqmd-2295468 | AsMgZn2 | data_[Mg4Zn8As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6403]
_cell_length_b [6.6403]
_cell_length_c [6.6403]
_c... |
agm006024245 | P4Sc3Tb | data_[Tb2Sc6P8]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6515]
_cell_length_b [10.8265]
_cell_length_c [3.8337]
_cel... |
oqmd-7983504 | Cl4Li2Pb | data_[Li4Pb2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6104]
_cell_length_b [5.6104]
_cell_length_c [13.3773]
... |
oqmd-8893211 | AsC2GaTa4 | data_[Ta4Ga1As1C2]
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
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2407]
_cell_length_b [3.24... |
agm002856870 | Ag2IMo | data_[Ag8Mo4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.1211]
_cell_length_b [8.1211]
_cell_length_c [5.6066]
_cel... |
agm003960566 | BePtTa2 | data_[Ta6Be3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9022]
_cell_length_b [2.9022]
_cell_length_c [25.6461]
_ce... |
agm002804308 | BrIrMo2 | data_[Mo8Ir4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7346]
_cell_length_b [5.7346]
_cell_length_c [11.2313]
_... |
agm005557188 | Br3I2Se2 | data_[Se2I2Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3053]
_cell_length_b [6.8129]
_cell_length_c [8.7603]
_cell_a... |
agm003433360 | Ce3PuSn2 | data_[Ce3Pu1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5297]
_cell_length_b [4.5297]
_cell_length_c [8.7600]
_c... |
agm005899520 | AsHO3 | data_[As4H4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
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 [7.0657]
_cell_length_b [8.0602]
_cell_length_c [5.1186]
_cel... |
agm005092716 | CrO6PtSr | data_[Sr1Cr1Pt1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2095]
_cell_length_b [5.209... |
agm004054407 | Re2Rh | data_[Re2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3930]
_cell_length_b [4.3930]
_cell_length_c [2.7086]
_cell_angle_alpha [90.0000]
_cell... |
agm005655678 | Cu9Ho2Zn6 | data_[Ho2Zn6Cu9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1078]
_cell_length_b [5.1078]
_cell_length_c [12.3631]
... |
agm003766310 | HgI6Te | data_[Hg3Te3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5893]
_cell_length_b [7.5893]
_cell_length_c [20.2713]
_cel... |
agm004375019 | KLa2Si | data_[K1La2Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6318]
_cell_length_b [3.6318]
_cell_length_c [10.8246]
_cel... |
agm002282880 | Cu4KMn | data_[K4Mn4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2893]
_cell_length_b [7.2893]
_cell_length_c [7.2893]
_ce... |
agm005492964 | PPb3 | data_[P4Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7675]
_cell_length_b [11.7414]
_cell_length_c [5.6862]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-6874018 | BCo2Sb | data_[Co4B2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1951]
_cell_length_b [6.6494]
_cell_length_c [4.6029]
_ce... |
agm005578075 | Ce2Tm3Zn3 | data_[Ce4Tm6Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4607]
_cell_length_b [5.0202]
_cell_length_c [21.7538]
_c... |
agm003901962 | AsAu2Y | data_[Y1As1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0486]
_cell_length_b [4.0486]
_cell_length_c [5.0469]
_ce... |
agm003308441 | La3Th2Y2 | data_[La6Y4Th4]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7257]
_cell_length_b [3.5231]
_cell_length_c [8.7685]
_cel... |
agm004823129 | Bi2NaNdSe4 | data_[Na1Nd1Bi2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8092]
_cell_length_b [4.1... |
agm005885799 | Cl3HK3 | data_[K12H4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9035]
_cell_length_b [13.8433]
_cell_length_c [8.0755]
_cel... |
agm003525817 | Cd2Na8Rb | data_[Rb1Na8Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8284]
_cell_length_b [6.8284]
_cell_length_c [10.3901]
_... |
agm003728549 | BrIrPm3 | data_[Pm6Ir2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9084]
_cell_length_b [9.5986]
_cell_length_c [8.1855]
_ce... |
oqmd-5310679 | HfPt2Zn | data_[Hf2Zn2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0846]
_cell_length_b [4.0846]
_cell_length_c [7.7618]
_... |
agm005005130 | CeCl2CsSe | data_[Cs4Ce4Se4Cl8]
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
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3084]
_cell_length_b [19.... |
oqmd-8875204 | CaLiS3Sm | data_[Li4Ca4Sm4S12]
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
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8875]
_cell_length_b [3.9... |
agm005473442 | C5Sr | data_[Sr1C5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3900]
_cell_length_b [3.3900]
_cell_length_c [6.3463]
_cell_angle_alpha [90.0000]
_cell_a... |
agm002667815 | Cu2RhSe | data_[Cu8Rh4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1285]
_cell_length_b [6.1285]
_cell_length_c [6.1285]
_c... |
agm001718702 | BiFHN2 | data_[Bi1H1N2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5842]
_cell_length_b [4.5842]... |
oqmd-8512659 | MnNa4O4 | data_[Na8Mn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5424]
_cell_length_b [5.7899]
_cell_length_c [8.4799]
_cell_... |
agm001839480 | ErLaSc | data_[La2Er2Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5382]
_cell_length_b [3.5382]
_cell_length_c [14.6552]
_c... |
agm006112390 | Ho5Nd8Pu | data_[Nd16Ho10Pu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.6790]
_cell_length_b [8.8990]
_cell_length_c [9.4311]
_c... |
agm002732134 | CsSb2Te | data_[Cs4Sb8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1745]
_cell_length_b [8.1745]
_cell_length_c [8.1745]
_c... |
agm003493507 | CeDy2Y6 | data_[Ce2Dy4Y12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.6763]
_cell_length_b [10.6763]
_cell_length_c [5.0626... |
agm002404033 | BTi3Zn | data_[Ti3Zn1B1]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2637]
_cell_length_b [4.2637]
_cell_length_c [4.2637]
_cel... |
agm003366146 | Ce2Mg5Tl4 | data_[Ce8Mg20Tl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3542]
_cell_length_b [9.8480]
_cell_length_c [19.5854]
... |
agm004383711 | CrOsRe2 | data_[Cr2Re4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9612]
_cell_length_b [4.4571]
_cell_length_c [8.6602]
_ce... |
agm003803947 | CuSeTl2 | data_[Tl4Cu2Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.1532]
_cell_length_b [7.7822]
_cell_length_c [4.1850]
_ce... |
agm002956044 | AlGa2In2 | data_[Al2In4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8932]
_cell_length_b [7.8932]
_cell_length_c [3.7368]
_... |
agm001611347 | AuFeLa2N | data_[La2Fe1Au1N1]
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
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3130]
_cell_length_b [5.3... |
mp-1222487 | Cu3La8LiO16 | data_[Li1La8Cu3O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0937]
_cell_length_b [7.592... |
oqmd-6771767 | CaEuIn4Pd2 | data_[Ca2Eu2In8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9478]
_cell_length_b [4.5... |
agm004735602 | Ac8CoI4Ir3 | data_[Ac24Co3Ir9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
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 [8.7375]
_cell_length_b [8.7... |
agm002815485 | ClFeRu2 | data_[Fe4Ru8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4491]
_cell_length_b [5.4491]
_cell_length_c [9.8910]
_c... |
agm002890699 | FePSi2 | data_[Fe4Si8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4508]
_cell_length_b [5.4508]
_cell_length_c [9.6481]
_cel... |
agm003618398 | CeCo2Th | data_[Ce2Th2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8349]
_cell_length_b [3.7088]
_cell_length_c [11.2208]
_c... |
agm005548104 | Ga7U | data_[U2Ga14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6059]
_cell_length_b [4.6059]
_cell_length_c [14.1810]
_cell_angle_alpha [90.0000]
_cell... |
agm005618349 | DyPd2Sm3 | data_[Sm6Dy2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9559]
_cell_length_b [8.9482]
_cell_length_c [7.1996]
_... |
agm005943340 | Ag4La3Sr | data_[Sr1La3Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4564]
_cell_length_b [5.4564]
_cell_length_c [7.6451]
_... |
agm004656724 | AcNd3Pm2Sm6 | data_[Ac2Pm4Nd6Sm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3745]
_cell_length_b [11... |
agm004980835 | MgNdPm6Pr2 | data_[Pm24Pr8Nd4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4012]
_cell_length_b [14... |
agm004049683 | BaCaCd2 | data_[Ba4Ca4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8646]
_cell_length_b [7.8646]
_cell_length_c [7.8646]
_c... |
agm005404164 | Ag3Sn3Tm | data_[Tm2Ag6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [7.5487]
_cell_length_b [7.5487]
_cell_length_c [7.5487]
_c... |
oqmd-3792917 | NOPmZr | data_[Pm4Zr4N4O4]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [7.9945]
_cell_length_b [6.6944]... |
agm004151232 | CoCu2Li | data_[Li2Co2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.5334]
_cell_length_b [4.3136]
_cell_length_c [8.7595]
_ce... |
agm002042078 | BaBrPbSnTl | data_[Ba3Tl3Sn3Pb3Br3]
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
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length... |
agm002802535 | BeCuW2 | data_[Be4Cu4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.6465]
_cell_length_b [3.6465]
_cell_length_c [18.2088]
_ce... |
agm003037967 | BHf3In | data_[Hf12In4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5509]
_cell_length_b [5.3497]
_cell_length_c [7.5340]
_c... |
agm2000144102 | Cl6CsTc | data_[Cs1Tc1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1863]
_cell_length_b [8.1863]
_cell_length_c [17.7198]
_c... |
agm004593343 | Au2Cs2I7Tl | data_[Cs4Tl2Au4I14]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8328]
_cell_length_b [5.... |
agm003661062 | Er4HoPb5 | data_[Ho2Er8Pb10]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8898]
_cell_length_b [9.8898]
_cell_length_c [6.2547]
_c... |
agm001681889 | AsBr2PRh | data_[As1P1Rh1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9574]
_cell_length_b [4.9... |
agm002483995 | As3GeI | data_[Ge1As3I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3334]
_cell_length_b [5.3334]
_cell_length_c [5.3334]
_cel... |
agm005197227 | BrCHoTh | data_[Ho3Th3C3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6531]
_cell_length_b [3.6531... |
agm004894964 | AlH8Rh2Sr | data_[Sr3Al3H24Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6831]
_cell_length_b [4.68... |
oqmd-8714368 | Cl6In2KRh | data_[K4In8Rh4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [Fm-3m]
_cell_length_a [10.4685]
_cell_length_b [10... |
agm005471612 | InPt2 | data_[In4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4421]
_cell_length_b [2.9801]
_cell_length_c [7.0166]
_cell_angle_alpha [90.0000]
_cell_... |
agm004397126 | KNi2Re | data_[K3Re3Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7446]
_cell_length_b [2.7446]
_cell_length_c [29.1325]
_cell... |
agm001056408 | NNbZr | data_[Zr4Nb4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Aem2]
_cell_length_a [6.7249]
_cell_length_b [4.9842]
_cell_length_c [5.5063]
_cell... |
agm003829065 | CoW | data_[Co8W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.0047]
_cell_length_b [6.0047]
_cell_length_c [6.0047]
_cell_angle_alpha [90.0000]
_cell_an... |
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