Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-5648609 | Pb2Rh3Sb | data_[Sb4Rh12Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.1578]
_cell_length_b [7.0477]
_cell_length_c [5.7602]
_... |
agm001461903 | FeInOs2Sr | data_[Sr1In1Fe1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6226]
_cell_length_b [4... |
agm002862852 | Na2RhRu | data_[Na8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.9792]
_cell_length_b [7.9792]
_cell_length_c [4.9003]
_c... |
agm002162083 | Mn3Tc | data_[Mn6Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1283]
_cell_length_b [5.1283]
_cell_length_c [4.1263]
_cell_angle_alpha [90.0000]
_ce... |
agm005492701 | FeSc | data_[Sc4Fe4]
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
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [5.0968]
_cell_length_b [5.0968]
_cell_length_c [5.0968]
_cell_angle_alpha [90.0000]
_cell_... |
agm005466266 | P2Ru | data_[P4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3099]
_cell_length_b [4.3099]
_cell_length_c [5.1265]
_cell_angle_alpha [90.0000]
_cell... |
agm2000125617 | Sb2Sr | data_[Sr2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [5.9084]
_cell_length_b [20.3197]
_cell_length_c [5.3032]
_cell_angle_alpha [90.0000]
_cell_... |
agm001524552 | BiHI2La | data_[La1Bi1H1I2]
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
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.4366]
_cell_length_b [6.436... |
oqmd-1925659 | B2Co2O5 | data_[Co4B4O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1403]
_cell_length_b [6.1152]
_cell_length_c [9.1522]
_cell_a... |
oqmd-5040536 | Cu3RbSe5Sm2 | data_[Rb4Sm8Cu12Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1805]
_cell_length_b [1... |
agm003663571 | La6Pm4Pr | data_[La6Pm4Pr1]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [11.2761]
_cell_length_b [11.2761]
_cell_length_c [3.6683]
... |
agm006019402 | CoIn12La4 | data_[La8In24Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.5767]
_cell_length_b [9.5767]
_cell_length_c [9.5767]
_... |
agm005090049 | Cl6RbTlU | data_[Rb2U2Tl2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.8516]
_cell_length_b [7.8... |
agm004058954 | RuSr2Y | data_[Sr2Y1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5942]
_cell_length_b [3.5942]
_cell_length_c [9.8704]
_ce... |
agm001093970 | MgPm2Pu | data_[Pm8Pu4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8450]
_cell_length_b [7.8450]
_cell_length_c [7.8450]
_c... |
agm004461674 | NaRh | data_[Na8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [10.6973]
_cell_length_b [10.6973]
_cell_length_c [2.8252]
_cell_angle_alpha [90.0000]
_ce... |
agm001668130 | BrHg2RbSe | data_[Rb1Hg2Se1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4044]
_cell_length_b [5... |
agm001609844 | Ca2GaPdTe | data_[Ca2Ga1Te1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5302]
_cell_length_b [5... |
agm002189976 | DyTc | data_[Dy1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4280]
_cell_length_b [3.4280]
_cell_length_c [3.4280]
_cell_angle_alpha [90.0000]
_cell_... |
agm003046865 | AuBeSb | data_[Be2Sb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.0754]
_cell_length_b [3.0754]
_cell_length_c [11.9751]
_... |
agm004874208 | BiCuO8Re2 | data_[Cu2Re4Bi2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0913]
_cell_length_b [5.3... |
oqmd-9433437 | Al4Au4Na3 | data_[Na6Al8Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3151]
_cell_length_b [7.3890]
_cell_length_c [13.8395]
_c... |
agm005859056 | Dy2PrSn9 | data_[Pr1Dy2Sn9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7189]
_cell_length_b [4.7189]
_cell_length_c [14.3553]
... |
agm005985324 | HgSm3Y4 | data_[Sm3Y4Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6095]
_cell_length_b [3.6095]
_cell_length_c [19.2134]
_c... |
agm004190924 | AgPtSc2 | data_[Sc4Ag2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0868]
_cell_length_b [4.0868]
_cell_length_c [8.8813]
_c... |
agm003389735 | AcLa2Pr2 | data_[Ac2La4Pr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9125]
_cell_length_b [5.9125]
_cell_length_c [13.1257... |
agm004596386 | Br3RhSi2Sm6 | data_[Sm12Si4Rh2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8712]
_cell_length_b [4... |
agm003486368 | Ag2Cl6Tl | data_[Tl2Ag4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6749]
_cell_length_b [6.3592]
_cell_length_c [12.8892]... |
agm2000085915 | CdIn3Te3 | data_[Cd1In3Te3]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0432]
_cell_length_b [7.8370]
_cell_length_c [18.9747]
_cel... |
agm003423990 | Hg2PmPr3 | data_[Pm4Pr12Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4808]
_cell_length_b [15.0250]
_cell_length_c [7.6421]
_... |
oqmd-9986128 | Er4HoNi2Te2Tm2 | data_[Ho2Er8Tm4Ni4Te4]
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
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_lengt... |
agm005208214 | AuDyRhTh | data_[Dy2Th2Rh2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1529]
_cell_length_b [3.9... |
agm003457618 | Ge2OsTh4 | data_[Th16Ge8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.1628]
_cell_length_b [9.1628]
_cell_length_c [9.5315... |
agm004991642 | AsNTe2Th | data_[Th2Te4As2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1250]
_cell_length_b [4.1... |
agm005201445 | ILaRhTh | data_[La3Th3Rh3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2149]
_cell_length_b [4.2149... |
agm004733167 | Cs4La3MgTe8 | data_[Cs12La9Mg3Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3986]
_cell_length_b [9... |
agm005616281 | Ag3Au2Zn6 | data_[Zn12Ag6Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7312]
_cell_length_b [2.8687]
_cell_length_c [10.5102]
... |
oqmd-3419678 | Bi2CrTe | data_[Cr4Bi8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3029]
_cell_length_b [7.3029]
_cell_length_c [7.3029]
_c... |
oqmd-9233147 | Cu2Te | data_[Cu48Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.2167]
_cell_length_b [8.2167]
_cell_length_c [23.8375]
_cell_angle_alpha [90.0000]
_cel... |
agm2000085476 | Ag2AuBr3 | data_[Ag4Au2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2711]
_cell_length_b [9.1077]
_cell_length_c [18.5976]
_cel... |
agm001268190 | GaHgLu | data_[Lu1Ga1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6133]
_cell_length_b [4.6133]
_cell_length_c [3.4949]
_c... |
agm006084084 | AlLi6Mg4 | data_[Li12Mg8Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5497]
_cell_length_b [8.3094]
_cell_length_c [7.2938]
_cel... |
agm003287242 | O3Pd2 | data_[Pd6O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6262]
_cell_length_b [5.6262]
_cell_length_c [7.6599]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm001021573 | CdHSe | data_[Cd2H2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4573]
_cell_length_b [4.4610]
_cell_length_c [8.6482]
_cell_... |
agm002309568 | DyRhSn4 | data_[Dy2Sn8Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.6156]
_cell_length_b [4.4780]
_cell_length_c [8.6251]
_ce... |
agm2000118989 | Ga5Zn6 | data_[Zn6Ga5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.1382]
_cell_length_b [15.0000]
_cell_length_c [9.0112]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-2917053 | FeSmZn | data_[Sm4Zn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6251]
_cell_length_b [6.6251]
_cell_length_c [6.6251]
_c... |
agm005098017 | BaBeCuH6 | data_[Ba1Be1Cu1H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4716]
_cell_length_b [4.9356]... |
agm001833213 | PmSnTm | data_[Pm2Tm2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3419]
_cell_length_b [3.3419]
_cell_length_c [17.4022]
_c... |
agm003380507 | Ag4Cd4Sr3 | data_[Sr6Cd8Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1550]
_cell_length_b [4.8278]
_cell_length_c [30.0020]
_c... |
agm005559488 | La2Ni3Pm2 | data_[La4Pm4Ni6]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8442]
_cell_length_b [4.3638]
_cell_length_c [5.7803]
_c... |
agm003549479 | BaHg3Na3 | data_[Ba6Na18Hg18]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.1099]
_cell_length_b [8.1099]
_cell_length_c [23.2641]
_... |
agm002731499 | SSbSr2 | data_[Sr8Sb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8411]
_cell_length_b [7.8411]
_cell_length_c [7.8411]
_cel... |
agm001138306 | AuInRb2 | data_[Rb2In1Au1]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0414]
_cell_length_b [4.0414]
_cell_length_c [9.7796]
_... |
agm004985708 | AlO6Pm2Y | data_[Pm2Y1Al1O6]
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
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3681]
_cell_length_b [5.3681]... |
agm003358767 | Ni9Th3Ti2 | data_[Th6Ti4Ni18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9057]
_cell_length_b [9.0967]
_cell_length_c [12.7944]
_... |
agm002411325 | BCd3F | data_[Cd3B1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5561]
_cell_length_b [4.5561]
_cell_length_c [4.5561]
_cell_... |
agm006100261 | GaLi6Tl5 | data_[Li12Tl10Ga2]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8083]
_cell_length_b [7.0259]
_cell_length_c [14.4190]
... |
agm004918735 | ScSe8SrTm4 | data_[Sr3Tm12Sc3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4369]
_cell_length_b [8.... |
agm005669681 | Ac2Er5Tb6 | data_[Ac4Tb12Er10]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.9002]
_cell_length_b [20.2715]
_cell_length_c [3.6421]... |
agm005127956 | BiHgSm2 | data_[Sm6Hg3Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3194]
_cell_length_b [4.3194]
_cell_length_c [24.1151]
_ce... |
agm003000868 | MoNa2Y2 | data_[Na4Y4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4299]
_cell_length_b [7.4299]
_cell_length_c [4.6454]
_ce... |
agm003142040 | HgI3Sc | data_[Sc4Hg4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9629]
_cell_length_b [7.3479]
_cell_length_c [11.2693]
_... |
agm004647933 | As6Ce2ErSc3 | data_[Ce4Er2Sc6As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9915]
_cell_length_b [12... |
agm005106060 | BaCePt2 | data_[Ba3Ce3Pt6]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1880]
_cell_length_b [4.1880]
_cell_length_c [22.8878]
_ce... |
agm2000063796 | BrDyTl2 | data_[Dy2Tl4Br2]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.4048]
_cell_length_b [3.5587]
_cell_length_c [15.6349]
_... |
agm002496055 | BH3Sn | data_[Sn1B1H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4730]
_cell_length_b [3.4730]
_cell_length_c [3.4730]
_cell_... |
agm003770887 | HoSm6Tm | data_[Sm6Ho1Tm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0868]
_cell_length_b [5.0868]
_cell_length_c [10.1646]
... |
agm001213975 | EuMgPt2 | data_[Eu1Mg1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8656]
_cell_length_b [4.8656]
_cell_length_c [3.3391]
_... |
agm005071522 | CoF6RbZn | data_[Rb4Zn4Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2230]
_cell_length_b [7.24... |
oqmd-5495232 | AuSnTbTe3 | data_[Tb4Sn4Te12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3095]
_cell_length_b [4... |
oqmd-5077849 | AsNbOTi | data_[Ti2Nb2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6066]
_cell_length_b [3.6... |
oqmd-3097931 | AsCuOSm | data_[Sm2Cu2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2744]
_cell_length_b [4.2... |
agm004107600 | Hg2IrMo | data_[Hg2Mo1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9276]
_cell_length_b [4.2076]
_cell_length_c [5.7771]
_ce... |
agm005659408 | Ac2AgLi | data_[Li2Ac4Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1421]
_cell_length_b [5.1798]
_cell_length_c [11.9069]
_c... |
agm005076676 | O6PaSbY | data_[Y2Pa2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.6242]
_cell_length_b [5.624... |
agm004727504 | Li4Np3S8Sm | data_[Li12Sm3Np9S24]
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
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9014]
_cell_length_b [7.9... |
agm005598593 | Br8Li2Pu3 | data_[Li8Pu12Br32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pu 1.2800 1.7500 0.9675
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [8.4343]
_cell_length_b [16.7843]
_cell_length_c [11.9153]... |
agm003440729 | Er2HoY4 | data_[Y16Ho4Er8]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7211]
_cell_length_b [11.4027]
_cell_length_c [11.9814]
_c... |
agm004397314 | Mo2ReSe | data_[Re1Mo2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9341]
_cell_length_b [4.2441]
_cell_length_c [5.1935]
_cell... |
agm003724081 | BiMnO3 | data_[Mn3Bi3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6514]
_cell_length_b [5.6514]
_cell_length_c [7.2175]
_cell_... |
agm005667805 | CaErTb | data_[Ca4Tb4Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9281]
_cell_length_b [3.6315]
_cell_length_c [6.2936]
_c... |
oqmd-2516520 | F4FeSr | data_[Sr1Fe1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0243]
_cell_length_b [3.4624]
_cell_length_c [5.0708]
_cell... |
oqmd-9163083 | NaO6Pd2Tl3 | data_[Na1Tl3Pd2O6]
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
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1270]
_cell_length_b [6.12... |
agm001567723 | CHgPY2 | data_[Y2Hg1P1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0579]
_cell_length_b [5.0579]... |
agm002835516 | Fe2HW | data_[Fe8H4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9212]
_cell_length_b [4.9212]
_cell_length_c [6.6899]
_cell_... |
agm002329781 | AsBr2Nb2 | data_[Nb2As1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9628]
_cell_length_b [3.9628]
_cell_length_c [9.2284]
_c... |
agm001239138 | PmTbZn | data_[Tb4Pm4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0920]
_cell_length_b [7.0920]
_cell_length_c [7.0920]
_c... |
agm002968815 | Ba2ClPb2 | data_[Ba4Pb4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.0274]
_cell_length_b [9.0274]
_cell_length_c [5.2289]
_... |
agm003710660 | SnTb3Tl | data_[Tb12Tl4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7627]
_cell_length_b [4.7992]
_cell_length_c [8.7790]
_... |
agm003307423 | Ce2Hg3Zn2 | data_[Ce4Zn4Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5326]
_cell_length_b [21.7804]
_cell_length_c [3.3599]
_c... |
agm002750783 | Bi2SbY | data_[Y4Bi8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [7.8391]
_cell_length_b [7.8391]
_cell_length_c [7.8391]
_cel... |
agm003708313 | CGaZr3 | data_[Zr12Ga4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1128]
_cell_length_b [4.5417]
_cell_length_c [7.8595]
_ce... |
agm003406331 | Ce2Sm2Sn | data_[Ce4Sm4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4254]
_cell_length_b [4.4254]
_cell_length_c [16.9775]
... |
agm004670081 | As2Ce3PRh8 | data_[Ce3As2P1Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4687]
_cell_length_b [5.46... |
agm004555687 | Au2Li2SrZn2 | data_[Sr3Li6Zn6Au6]
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
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5473]
_cell_length_b [4.5... |
agm001225192 | Ce2SiY | data_[Ce2Y1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3666]
_cell_length_b [4.3666]
_cell_length_c [5.0122]
_ce... |
agm001194538 | CeNd5 | data_[Ce2Nd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1693]
_cell_length_b [15.4841]
_cell_length_c [5.1750]
_cell_angle_alpha [90.0000]
_cell... |
agm003519889 | DyPb2Pd8 | data_[Dy2Pd16Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5823]
_cell_length_b [12.9830]
_cell_length_c [4.9636]
_... |
agm001996707 | KNd2O | data_[K3Nd6O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7443]
_cell_length_b [3.7443]
_cell_length_c [31.0905]
_cell_... |
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