Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-20397 | Sr(InTe2)2 | data_[Sr4In8Te16]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [7.2493]
_cell_length_b [11.9324]
_cell_length_c [12.0443]
... |
mp-318 | SrIr2 | data_[Sr8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7587]
_cell_length_b [7.7587]
_cell_length_c [7.7587]
_cell_angle_alpha [90.0000]
_cell... |
mp-978261 | MnBe2Co | data_[Mn4Be8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3070]
_cell_length_b [5.3070]
_cell_length_c [5.3070]
_c... |
mp-11225 | TbAl | data_[Tb8Al8]
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
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.8634]
_cell_length_b [11.4837]
_cell_length_c [5.6385]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079053 | B2Mo3 | data_[B4Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.0652]
_cell_length_b [6.0652]
_cell_length_c [3.1438]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1222143 | Mg3InAg4 | data_[Mg9In3Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7494]
_cell_length_b [4.7494]
_cell_length_c [23.4309]
_... |
mp-22531 | Ba2GdNbO6 | data_[Ba4Gd2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0680]
_cell_length_b [6.06... |
mp-11544 | Yb2Pb | data_[Yb8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3461]
_cell_length_b [5.3088]
_cell_length_c [9.5722]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-22179 | YTiSi | data_[Y2Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0372]
_cell_length_b [4.0372]
_cell_length_c [7.5951]
_ce... |
mp-1226759 | CdIn2SnAu2 | data_[Cd3In6Sn3Au6]
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
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7509]
_cell_length_b [4.75... |
mp-1762 | ErRh2 | data_[Er8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5295]
_cell_length_b [7.5295]
_cell_length_c [7.5295]
_cell_angle_alpha [90.0000]
_cell... |
mp-1070755 | Y2GaNi2 | data_[Y4Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1086]
_cell_length_b [5.5189]
_cell_length_c [8.3476]
_cell... |
mp-7289 | K2Te3 | data_[K8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0427]
_cell_length_b [10.4116]
_cell_length_c [4.6169]
_cell_angle_alpha [90.0000]
_cell_... |
mp-574379 | CsHg2 | data_[Cs4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7866]
_cell_length_b [8.9957]
_cell_length_c [9.5196]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1223075 | La3UAl8 | data_[La9U3Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6854]
_cell_length_b [5.6854]
_cell_length_c [27.9984]
_cel... |
mp-1103621 | TaTl(PO4)2 | data_[Ta1Tl1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2494]
_cell_length_b [5.2494... |
mp-1219972 | PrGaSi | data_[Pr4Ga4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.2515]
_cell_length_b [4.2515]
_cell_length_c [14.3689]
... |
mp-1100405 | ScTeRh | data_[Sc4Te4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3201]
_cell_length_b [6.3201]
_cell_length_c [6.3201]
_c... |
mp-1215594 | YbGd3F12 | data_[Yb1Gd3F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Gd 1.2000 1.8000 1.0750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4343]
_cell_length_b [7.0173]
_cell_length_c [6.5761]
_cell_... |
mp-27801 | TlAgI2 | data_[Tl4Ag4I8]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5159]
_cell_length_b [8.5159]
_cell_length_c [7.8599]
_ce... |
mp-9158 | LiCuO2 | data_[Li2Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8618]
_cell_length_b [2.7353]
_cell_length_c [5.5685]
_cell... |
mp-1188570 | UTcC2 | data_[U4Tc4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5968]
_cell_length_b [3.1888]
_cell_length_c [11.0010]
_cell_... |
mp-20559 | Ga3Co | data_[Ga12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.2705]
_cell_length_b [6.2705]
_cell_length_c [6.4665]
_cell_angle_alpha [90.0000]
_c... |
mp-754981 | V6O7F5 | data_[V12O14F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.1450]
_cell_length_b [6.4671]
_cell_length_c [6.9700]
_cell_... |
mp-605252 | DyGaCo | data_[Dy4Ga4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0113]
_cell_length_b [4.3940]
_cell_length_c [6.9019]
_ce... |
mp-1221267 | Na2TiTeO6 | data_[Na6Ti3Te3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2910]
_cell_length_b [5.2910... |
mp-19975 | Sr2PrO4 | data_[Sr4Pr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2815]
_cell_length_b [10.3879]
_cell_length_c [3.7347]
_cel... |
mp-1104848 | Yb(Al2Cu)4 | data_[Yb2Al16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8464]
_cell_length_b [8.8464]
_cell_length_c [5.1213]
... |
mp-1103174 | TlFe2S3 | data_[Tl4Fe8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.9273]
_cell_length_b [10.8068]
_cell_length_c [5.1488]
_ce... |
mp-22636 | TaNiGe | data_[Ta4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2977]
_cell_length_b [3.7741]
_cell_length_c [7.2197]
_ce... |
mp-1217034 | U4(TeSe)3 | data_[U8Te6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0411]
_cell_length_b [11.3770]
_cell_length_c [11.8166]
_... |
mp-1018812 | NbGeAs | data_[Nb2Ge2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6026]
_cell_length_b [3.6026]
_cell_length_c [8.0102]
_... |
mp-1216854 | UMn5Al7 | data_[U2Mn10Al14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9516]
_cell_length_b [8.7811]
_cell_length_c [8.7104]
_ce... |
mp-11342 | GaSe | data_[Ga6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8182]
_cell_length_b [3.8182]
_cell_length_c [26.5806]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12712 | Zr3Pd4 | data_[Zr18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6626]
_cell_length_b [12.6626]
_cell_length_c [5.6003]
_cell_angle_alpha [90.0000]
_cel... |
mp-755725 | Na3NiO3 | data_[Na6Ni2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7568]
_cell_length_b [5.8659]
_cell_length_c [6.3503]
_cell_... |
mp-644285 | KAlH2CO5 | data_[K4Al4H8C4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.... |
mp-5057 | Nd(SiAu)2 | data_[Nd2Si4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3447]
_cell_length_b [4.3447]
_cell_length_c [10.2758]
... |
mp-1174383 | Li5Mn2CoO8 | data_[Li5Mn2Co1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9686]
_cell_length_b [5.8190]... |
mp-12775 | ThRu | data_[Th4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8883]
_cell_length_b [11.6010]
_cell_length_c [4.0096]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9387 | TbCuGe | data_[Tb2Cu2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.2680]
_cell_length_b [4.2680]
_cell_length_c [7.3119]
_... |
mp-21165 | PdSe | data_[Pd8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [6.8450]
_cell_length_b [6.8450]
_cell_length_c [7.0322]
_cell_angle_alpha [90.0000]
_cell... |
mp-1218341 | Sr3CaMn2FeO10 | data_[Sr6Ca2Mn4Fe2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length... |
mp-977563 | LiNbIr2 | data_[Li4Nb4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1767]
_cell_length_b [6.1767]
_cell_length_c [6.1767]
_c... |
mp-1232273 | SmS2 | data_[Sm2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9303]
_cell_length_b [3.9303]
_cell_length_c [8.1241]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-754825 | NaTmO2 | data_[Na3Tm3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3650]
_cell_length_b [3.3650]
_cell_length_c [16.6788]
_cel... |
mp-780873 | Li2Cr3CuO8 | data_[Li6Cr9Cu3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9047]
_cell_length_b [5.90... |
mp-861992 | PaNi2Sb | data_[Pa4Ni8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5320]
_cell_length_b [6.5320]
_cell_length_c [6.5320]
_c... |
mp-9721 | Ca3GeO | data_[Ca3Ge1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7427]
_cell_length_b [4.7427]
_cell_length_c [4.7427]
_cel... |
mp-1105057 | Yb3Pd4 | data_[Yb18Pd24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8983]
_cell_length_b [12.8983]
_cell_length_c [5.8016]
_cell_angle_alpha [90.0000]
_cel... |
mp-754468 | NaCuO2 | data_[Na4Cu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5201]
_cell_length_b [5.5630]
_cell_length_c [7.1552]
_cell_... |
mp-864916 | Hf2TcRh | data_[Hf8Tc4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5277]
_cell_length_b [6.5277]
_cell_length_c [6.5277]
_c... |
mp-1078441 | Ba2UCu2Se5 | data_[Ba4U2Cu4Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1601]
_cell_length_b [4.2... |
mp-1225816 | ErGa2Ni3 | data_[Er3Ga6Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.7021]
_cell_length_b [8.7021]
_cell_length_c [4.0728]
_c... |
mp-1183306 | AlRh3 | data_[Al2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4651]
_cell_length_b [5.4651]
_cell_length_c [4.3760]
_cell_angle_alpha [90.0000]
_ce... |
mp-13382 | CeZnPd | data_[Ce3Zn3Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3541]
_cell_length_b [7.3541]
_cell_length_c [3.9950]
_c... |
mp-1068377 | CsEuCl3 | data_[Cs1Eu1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6828]
_cell_length_b [5.6828]
_cell_length_c [5.6828]
_c... |
mp-1189296 | CeBS3 | data_[Ce4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.6659]
_cell_length_b [6.0011]
_cell_length_c [8.9907]
_cel... |
mp-1174243 | Li4Mn3CoO8 | data_[Li8Mn6Co2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6618]
_cell_length_b [5.8... |
mp-1209723 | NpTl2F6 | data_[Np4Tl8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0739]
_cell_length_b [12.3606]
_cell_length_c [7.5281]
_ce... |
mp-571133 | NbSe2 | data_[Nb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4932]
_cell_length_b [3.4932]
_cell_length_c [28.2153]
_cell_angle_alpha [90.0000]
_cell... |
mp-977538 | ErZnRh2 | data_[Er4Zn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4413]
_cell_length_b [6.4413]
_cell_length_c [6.4413]
_c... |
mp-28505 | Ba(AlTe2)2 | data_[Ba2Al4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [8.6991]
_cell_length_b [8.6991]
_cell_length_c [6.7554]
_... |
mp-567926 | B4Rh5 | data_[B8Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3359]
_cell_length_b [3.3359]
_cell_length_c [20.6234]
_cell_angle_alpha [90.0000]
_ce... |
mp-1039086 | Ca5Mg | data_[Ca10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.3745]
_cell_length_b [3.8186]
_cell_length_c [8.8375]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1077738 | YbCdNi4 | data_[Yb4Cd4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9056]
_cell_length_b [6.9056]
_cell_length_c [6.9056]
_... |
mp-1224006 | HoCuPbS3 | data_[Ho4Cu4Pb4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9500]
_cell_length_b [13... |
mp-1078638 | Ca | data_[Ca8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [4.5614]
_cell_length_b [4.5614]
_cell_length_c [16.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-1176440 | MnCuO3 | data_[Mn6Cu6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0326]
_cell_length_b [5.0326]
_cell_length_c [13.7429]
_cel... |
mp-999454 | NaVS2 | data_[Na1V1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5492]
_cell_length_b [3.5492]
_cell_length_c [6.6880]
_cell_... |
mp-1217970 | SrSiNi | data_[Sr1Si1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9850]
_cell_length_b [3.9850]
_cell_length_c [4.7560]
_c... |
mp-972664 | SmTh | data_[Sm1Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5737]
_cell_length_b [3.5737]
_cell_length_c [5.9737]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22726 | Sr2LuIrO6 | data_[Sr4Lu2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7786]
_cell_length_b [5.... |
mp-1224739 | GdDy3Ni4 | data_[Gd1Dy3Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4699]
_cell_length_b [4.1926]
_cell_length_c [7.1314]
_cell... |
mp-1070238 | ThSi3Rh | data_[Th2Si6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2888]
_cell_length_b [4.2888]
_cell_length_c [9.6891]
_ce... |
mp-1080405 | DySnGe | data_[Dy4Sn4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2539]
_cell_length_b [16.3355]
_cell_length_c [4.1172]
_c... |
mp-1112759 | Cs2KInCl6 | data_[Cs8K4In4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1563]
_cell_length_b [11... |
mp-864617 | NdI3 | data_[Nd2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [11.3268]
_cell_length_b [11.3268]
_cell_length_c [4.1250]
_cell_angle_alpha [90.0000]
_ce... |
mp-755673 | DyWO4 | data_[Dy2W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.2038]
_cell_length_b [5.5584]
_cell_length_c [5.3292]
_cell_a... |
mp-1223307 | KRbCl2 | data_[K1Rb1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5518]
_cell_length_b [5.5518]
_cell_length_c [3.9259]
_ce... |
mp-757094 | La2HfO5 | data_[La8Hf4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2283]
_cell_length_b [12.0188]
_cell_length_c [11.1953]
_c... |
mp-1206033 | VNiO3 | data_[V2Ni2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9760]
_cell_length_b [5.1033]
_cell_length_c [5.4329]
_cell_an... |
mp-1094389 | Y2Mg | data_[Y8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.8041]
_cell_length_b [5.2372]
_cell_length_c [5.2358]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-570140 | AuBr | data_[Au8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.4896]
_cell_length_b [7.4896]
_cell_length_c [9.2487]
_cell_angle_alpha [90.0000]
_ce... |
mp-1105834 | Dy(Ni2B)6 | data_[Dy3Ni36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4823]
_cell_length_b [9.4823]
_cell_length_c [7.3916]
_ce... |
mp-977430 | MgNbRu2 | data_[Mg4Nb4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2841]
_cell_length_b [6.2841]
_cell_length_c [6.2841]
_c... |
mp-1217258 | ThSc | data_[Th3Sc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4610]
_cell_length_b [3.4610]
_cell_length_c [16.4228]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754434 | Hf3N4 | data_[Hf9N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4092]
_cell_length_b [3.4092]
_cell_length_c [25.2348]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-979263 | ThMg3 | data_[Th2Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7849]
_cell_length_b [6.7849]
_cell_length_c [5.2215]
_cell_angle_alpha [90.0000]
_ce... |
mp-1105825 | Tb5Pb3 | data_[Tb10Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0844]
_cell_length_b [9.0844]
_cell_length_c [6.6789]
_cell_angle_alpha [90.0000]
_c... |
mp-9008 | RbTeAu | data_[Rb2Te2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.0054]
_cell_length_b [5.2522]
_cell_length_c [7.3964]
_ce... |
mp-1216196 | Y3Ga8Ni3 | data_[Y6Ga16Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.5205]
_cell_length_b [4.1607]
_cell_length_c [9.5597]
_cell... |
mp-1113514 | Cs2LiMoF6 | data_[Cs8Li4Mo4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7979]
_cell_length_b [8.7... |
mp-7885 | AlAgS2 | data_[Al1Ag1S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5403]
_cell_length_b [3.5403]
_cell_length_c [6.8982]
_cell... |
mp-1019276 | TaSe2 | data_[Ta2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4757]
_cell_length_b [3.4757]
_cell_length_c [14.1156]
_cell_angle_alpha [90.0000]
_c... |
mp-1186832 | PrNdIn2 | data_[Pr4Nd4In8]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7915]
_cell_length_b [7.7915]
_cell_length_c [7.7915]
_c... |
mp-28395 | B6P | data_[B36P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9931]
_cell_length_b [5.9931]
_cell_length_c [11.8579]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1070247 | BaGe3Rh | data_[Ba2Ge6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.5765]
_cell_length_b [4.5765]
_cell_length_c [10.4176]
_c... |
mp-12929 | SmAsO4 | data_[Sm4As4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2939]
_cell_length_b [7.2939]
_cell_length_c [6.4591]
... |
mp-1114701 | Rb2LiRuF6 | data_[Rb8Li4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4075]
_cell_length_b [8.4... |
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