Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005138109 | B2BeIr5Nb2 | data_[Be2Nb4B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4544]
_cell_length_b [9.... |
agm005190719 | NdPmSTe | data_[Pm3Nd3Te3S3]
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
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0769]
_cell_length_b [4.0769... |
agm003502021 | Ag6BiGa2 | data_[Ga4Ag12Bi2]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7135]
_cell_length_b [8.2671]
_cell_length_c [3.1933]
_... |
agm004482752 | Cl6NRb2Ti | data_[Rb8Ti4N4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6236]
_cell_length_b [10... |
agm004707324 | Ac3B4O12Pm | data_[Ac9Pm3B12O36]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.5330]
_cell_length_b [10.53... |
agm004148361 | BrP2Zn | data_[Zn1P2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3164]
_cell_length_b [3.3164]
_cell_length_c [8.6200]
_cell... |
agm005799675 | Cl6ThTl | data_[Th2Tl2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0752]
_cell_length_b [9.0142]
_cell_length_c [14.3638]
_... |
oqmd-6188605 | CaCuSi3Tb | data_[Ca8Tb8Cu8Si24]
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
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0192]
_cell_length_b [8.... |
agm001133990 | AgNdSr2 | data_[Sr2Nd1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8056]
_cell_length_b [3.8056]
_cell_length_c [10.1896]
... |
agm003608713 | DyNdTh | data_[Nd4Dy4Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3336]
_cell_length_b [4.7652]
_cell_length_c [8.4443]
_c... |
mp-1229001 | Ba8Cu15O35Sm5Sr2 | data_[Ba8Sr2Sm5Cu15O35]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_lengt... |
agm004875282 | I2KO8U | data_[K1U1I2O8]
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
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4751]
_cell_length_b [6.4751]
_c... |
agm004964259 | FeO6Rb2Tc | data_[Rb2Fe1Tc1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2519]
_cell_length_b [6.25... |
agm004117912 | FeYZn2 | data_[Y1Zn2Fe1]
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 [P4/mmm]
_cell_length_a [4.1152]
_cell_length_b [4.1152]
_cell_length_c [4.2759]
_ce... |
agm005158028 | CuNd2ScTe5 | data_[Nd8Sc4Cu4Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2648]
_cell_length_b [... |
agm002958165 | AsPd2Rh2 | data_[As2Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.1756]
_cell_length_b [6.1756]
_cell_length_c [4.2308]
_... |
oqmd-6818219 | Co2IrOsTa2Zn2 | data_[Ta2Zn2Co2Ir1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm001182902 | EuPmPu4 | data_[Pm4Eu4Pu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Eu 1.2000 1.8500 1.1985
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.9913]
_cell_length_b [8.9913]
_cell_length_c [8.9913]
_... |
agm003487452 | O6TeTl2 | data_[Tl4Te2O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0876]
_cell_length_b [5.4030]
_cell_length_c [10.4403]
_ce... |
agm001524571 | AlCaFIn2 | data_[Ca1Al1In2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4668]
_cell_length_b [5.4... |
agm004386452 | BaPZr2 | data_[Ba2Zr4P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3480]
_cell_length_b [10.3778]
_cell_length_c [3.7227]
_cel... |
agm001918491 | AlCaTlZn | data_[Ca4Al4Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1305]
_cell_length_b [7.... |
agm002132971 | AgHgU2 | data_[U8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3435]
_cell_length_b [7.3435]
_cell_length_c [7.3435]
_cel... |
agm004314288 | AsBrZr2 | data_[Zr6As3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6174]
_cell_length_b [3.6174]
_cell_length_c [27.4267]
_ce... |
agm004737023 | Ca4MnN8Pa3 | data_[Ca12Pa9Mn3N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9976]
_cell_length_b [6.9... |
agm005814978 | Cd2Tb6Tc | data_[Tb6Cd2Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.5210]
_cell_length_b [8.5210]
_cell_length_c [3.9683]
_c... |
agm005659064 | Ba4Na3O2 | data_[Ba8Na6O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3552]
_cell_length_b [4.4096]
_cell_length_c [11.0663]
_ce... |
agm2000011564 | CrO | data_[Cr4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.1320]
_cell_length_b [4.1208]
_cell_length_c [18.2263]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001016328 | NdPuRu | data_[Nd1Pu1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4047]
_cell_length_b [4.3242]
_cell_length_c [5.3342]
_ce... |
oqmd-5857814 | B4DyNd | data_[Nd2Dy2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3152]
_cell_length_b [5.7485]
_cell_length_c [8.0050]
_cell... |
agm005578179 | Ca2In3Nd3 | data_[Ca4Nd6In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8533]
_cell_length_b [5.6054]
_cell_length_c [23.2075]
_c... |
agm006032328 | Ac4DyPr4 | data_[Ac8Pr8Dy2]
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
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [11.4590]
_cell_length_b [11.4590]
_cell_length_c [5.4033]... |
agm2000092849 | PtSe2Sn | data_[Sn2Pt2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.3987]
_cell_length_b [8.5630]
_cell_length_c [16.8844]
_c... |
oqmd-9098536 | FeMgP4Si2 | data_[Mg2Fe2Si4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
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-4]
_cell_length_a [5.5134]
_cell_length_b [5.5134... |
agm004307484 | Li2TaTc | data_[Li4Ta2Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0761]
_cell_length_b [9.9786]
_cell_length_c [2.7411]
_ce... |
agm005023987 | CsHgSe3Y | data_[Cs2Y2Hg2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4887]
_cell_length_b [4.3... |
agm001573572 | CInNiO2 | data_[In1Ni1C1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8995]
_cell_length_b [3.899... |
agm002597126 | ReSeSn3 | data_[Re1Sn3Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1812]
_cell_length_b [5.1812]
_cell_length_c [5.1812]
_c... |
agm004990840 | Bi2CdNPa | data_[Pa2Cd2Bi4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9316]
_cell_length_b [3.9... |
agm002271850 | CeFe2Ru | data_[Ce2Fe4Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0388]
_cell_length_b [6.3364]
_cell_length_c [5.2101]
_... |
agm003403665 | HgIn2Tm2 | data_[Tm8In8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2017]
_cell_length_b [4.6873]
_cell_length_c [10.7868]
_... |
agm005946686 | Co9Er2Nd | data_[Nd3Er6Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0100]
_cell_length_b [5.0100]
_cell_length_c [24.2137]
_... |
agm005929124 | Ac5HgZn2 | data_[Ac20Zn8Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0299]
_cell_length_b [8.0299]
_cell_length_c [17.2971]... |
agm005835837 | AuNi2Sm2 | data_[Sm4Ni4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9267]
_cell_length_b [13.8622]
_cell_length_c [3.7379]
_c... |
agm002282429 | KPt2Th2 | data_[K2Th4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4200]
_cell_length_b [8.4200]
_cell_length_c [3.7426]
_ce... |
agm002888549 | AgLaSe2 | data_[La4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1049]
_cell_length_b [6.1049]
_cell_length_c [14.2302]
_... |
agm001928782 | Ac2OS | data_[Ac6S3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9984]
_cell_length_b [3.9984]
_cell_length_c [20.4982]
_cell_... |
oqmd-7181566 | Ge2TeV | data_[V4Ge8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8352]
_cell_length_b [6.8352]
_cell_length_c [6.8352]
_cel... |
agm005895548 | Al2Ho4Y | data_[Y3Ho12Al6]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2493]
_cell_length_b [5.2493]
_cell_length_c [23.3503]
_ce... |
agm005094410 | BaMoO6Rh | data_[Ba1Mo1Rh1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.3546]
_cell_length_b [5.354... |
agm004786912 | MgN4NbZn2 | data_[Mg2Nb2Zn4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8524]
_cell_length_b [5.8... |
agm003767735 | CoHf6Ir | data_[Hf12Co2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0183]
_cell_length_b [10.4584]
_cell_length_c [5.9950]
_... |
agm005070382 | Br6CsErSr | data_[Cs1Sr1Er1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.7132]
_cell_length_b [7.7... |
agm2000017804 | BeO | data_[Be1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.3738]
_cell_length_b [2.3738]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_... |
agm003590683 | Al4CeZn12 | data_[Ce2Al8Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.8016]
_cell_length_b [8.8016]
_cell_length_c [8.8016]
_c... |
agm001279327 | CoGdTm | data_[Gd1Tm1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8517]
_cell_length_b [3.8517]
_cell_length_c [6.1530]
_ce... |
agm2000019740 | Cl3Yb | data_[Yb2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.6615]
_cell_length_b [3.9644]
_cell_length_c [18.3059]
_cell_angle_alpha [90.0000]
_cell_... |
agm002672407 | F2LaW | data_[La4W4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6056]
_cell_length_b [6.6056]
_cell_length_c [6.6056]
_cell_... |
agm004397356 | AgAl2As | data_[Al2Ag1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4228]
_cell_length_b [4.4228]
_cell_length_c [3.6875]
_... |
agm003423212 | Dy3Ir2Pm | data_[Pm4Dy12Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8400]
_cell_length_b [13.6918]
_cell_length_c [7.0363]
_... |
agm006012669 | CSe6Y8 | data_[Y8C1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.2006]
_cell_length_b [10.2006]
_cell_length_c [4.1162]
_cell_... |
agm002377002 | GaMn2Rh | data_[Mn4Ga2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0759]
_cell_length_b [4.0759]
_cell_length_c [7.6096]... |
agm004990359 | CeOTe2Tm | data_[Ce2Tm2Te4O2]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1885]
_cell_length_b [4.1... |
oqmd-9867061 | FeMgNd | data_[Nd3Mg3Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4663]
_cell_length_b [7.4663]
_cell_length_c [4.0247]
_c... |
agm003356969 | Ho8Nd3Pr2 | data_[Pr4Nd6Ho16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7075]
_cell_length_b [20.6631]
_cell_length_c [5.6103]
_... |
agm003510931 | Ac2Ga7Hg | data_[Ac2Ga7Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6212]
_cell_length_b [4.6212]
_cell_length_c [10.5901]
_... |
agm003678401 | Ac5CaPb6 | data_[Ca2Ac10Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0708]
_cell_length_b [7.6575]
_cell_length_c [6.1031]
... |
agm002447896 | AuClCs3 | data_[Cs3Au1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.6379]
_cell_length_b [6.6379]
_cell_length_c [6.6379]
_c... |
agm003608141 | CsCuSe | data_[Cs2Cu2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2054]
_cell_length_b [4.3149]
_cell_length_c [9.3270]
_ce... |
agm002671577 | FI2Nb | data_[Nb4I8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9973]
_cell_length_b [6.9973]
_cell_length_c [6.9973]
_cell_... |
agm002709097 | CaINa2 | data_[Na8Ca4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5808]
_cell_length_b [8.5808]
_cell_length_c [8.5808]
_cel... |
agm005040955 | AcN3TmZr | data_[Ac2Tm2Zr2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0756]
_cell_length_b [3.5... |
agm004811775 | CNO2Pm4 | data_[Pm8C2N2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1102]
_cell_length_b [5.1102]... |
agm005080699 | CrO6ScTa | data_[Sc2Ta2Cr2O12]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7066]
_cell_length_b [4.... |
agm003138959 | HgS2Sr | data_[Sr4Hg4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [14.4019]
_cell_length_b [4.2480]
_cell_length_c [8.1894]
_cel... |
agm002905717 | CdY2Zn | data_[Y8Zn4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.0035]
_cell_length_b [8.0035]
_cell_length_c [6.9111]
_cel... |
agm003714980 | AuO3Pd | data_[Pd4Au4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5635]
_cell_length_b [10.0497]
_cell_length_c [4.8575]
_ce... |
agm005811375 | CF2Ho2 | data_[Ho6C3F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
C 2.5500 0.7000 0.3000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5547]
_cell_length_b [3.5547]
_cell_length_c [23.7625]
_cell_... |
agm004960697 | ErNd2Te6Tm | data_[Nd6Er3Tm3Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8066]
_cell_length_b [7.80... |
agm004528172 | Bi3Cs2In4Sn | data_[Cs2In4Sn1Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.2575]
_cell_length_b [5.... |
agm001055149 | BeBiTb | data_[Tb6Be6Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Be 1.5700 1.0500 0.5900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [6.4325]
_cell_length_b [6.4325]
_cell_length_c [12.1047]
... |
agm001726760 | KN2OSb | data_[K1Sb1N2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1783]
_cell_length_b [4.1783]... |
agm2000055929 | Li3LuTe3 | data_[Li3Lu1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.8077]
_cell_length_b [19.7565]
_cell_length_c [6.8777]
_c... |
agm005972830 | Dy6Pm3Tm | data_[Pm3Dy6Tm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5267]
_cell_length_b [6.5387]
_cell_length_c [9.5593]
_cel... |
agm004578397 | As2PbRb2S6 | data_[Rb4As4Pb2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5946]
_cell_length_b [7.2... |
agm005855744 | CoScZn4 | data_[Sc4Zn16Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0181]
_cell_length_b [6.3888]
_cell_length_c [11.8362]
_... |
oqmd-9227661 | Br2CePrSb | data_[Ce1Pr1Sb1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4238]
_cell_length_b [4.4... |
oqmd-4193148 | BiHoTb | data_[Tb4Ho4Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2989]
_cell_length_b [7.2989]
_cell_length_c [7.2989]
_c... |
agm001464691 | CuSbTi2V | data_[Ti2V1Cu1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4742]
_cell_length_b [4.4... |
agm003540038 | InNd2Pd9 | data_[Nd6In3Pd27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3924]
_cell_length_b [5.3924]
_cell_length_c [27.1581]
_... |
agm003637774 | MnSe2Sn | data_[Mn4Sn4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.2150]
_cell_length_b [4.2302]
_cell_length_c [7.1053]
_c... |
agm003177921 | CuNi2Rh | data_[Cu1Ni2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6491]
_cell_length_b [3.6491]
_cell_length_c [3.6223]
_... |
agm001561567 | BBrCdGe2 | data_[Cd1Ge2B1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2641]
_cell_length_b [5.2... |
agm003584965 | Ba3Pt8Sn | data_[Ba9Sn3Pt24]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6857]
_cell_length_b [5.6857]
_cell_length_c [27.3100]
_c... |
mp-1232088 | MgPr2S4 | data_[Pr8Mg4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4005]
_cell_length_b [8.4005]
_cell_length_c [8.8738]
_ce... |
oqmd-9580815 | CaCd3Er2 | data_[Ca1Er2Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7131]
_cell_length_b [3.7131]
_cell_length_c [11.3483]
... |
agm004449331 | CCu | data_[Cu4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.8161]
_cell_length_b [5.8161]
_cell_length_c [2.7677]
_cell_angle_alpha [90.0000]
_cell... |
agm001312532 | CoMnRuSc | data_[Sc4Mn4Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0922]
_cell_length_b [6.... |
agm004220714 | IrOs2P | data_[P2Ir2Os4]
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 [Immm]
_cell_length_a [2.8268]
_cell_length_b [4.2989]
_cell_length_c [9.1488]
_cell... |
agm005459454 | KRuSr4 | data_[K4Sr16Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5639]
_cell_length_b [10.5639]
_cell_length_c [10.5639]
... |
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