Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-22595 | UAsSe | data_[U2As2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9765]
_cell_length_b [3.9765]
_cell_length_c [8.4080]
_ce... |
mp-977553 | Yb2PtAu | data_[Yb8Pt4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0180]
_cell_length_b [7.0180]
_cell_length_c [7.0180]
_c... |
mp-1226311 | Cs2MnNiF6 | data_[Cs12Mn6Ni6F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.2934]
_cell_length_b [6.29... |
mp-1094238 | MgSn | data_[Mg6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6258]
_cell_length_b [5.6570]
_cell_length_c [5.8569]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1225623 | Er3ScS6 | data_[Er6Sc2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.7760]
_cell_length_b [3.8578]
_cell_length_c [11.1137]
... |
mp-570138 | Tb2Al4NiGe2 | data_[Tb4Al8Ni2Ge4]
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
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1506]
_cell_length_b [4... |
mp-553242 | NdBi2BrO4 | data_[Nd1Bi2Br1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9792]
_cell_length_b [3.9... |
mp-1185450 | LiTh2Tc | data_[Li4Th8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2253]
_cell_length_b [7.2253]
_cell_length_c [7.2253]
_c... |
mp-1224072 | In2Ni6C | data_[In2Ni6C1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8368]
_cell_length_b [3.8368]
_cell_length_c [7.5058]
_ce... |
mp-29154 | Hf2CoP | data_[Hf4Co2P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1859]
_cell_length_b [3.6065]
_cell_length_c [7.3603]
_ce... |
mp-755416 | HoGaO3 | data_[Ho4Ga4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5931]
_cell_length_b [7.6341]
_cell_length_c [5.2838]
_cel... |
mp-1078554 | KNa3H4 | data_[K1Na3H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1186]
_cell_length_b [5.1186]
_cell_length_c [5.1186]
_cell_... |
mp-1021509 | Ce(FeAs3)4 | data_[Ce2Fe8As24]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.3203]
_cell_length_b [8.3203]
_cell_length_c [8.3203]
_c... |
mp-1101843 | PbO2 | data_[Pb4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2847]
_cell_length_b [3.5497]
_cell_length_c [5.7450]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-976590 | HoTlRh2 | data_[Ho4Tl4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6912]
_cell_length_b [6.6912]
_cell_length_c [6.6912]
_c... |
mp-1225547 | ErAgTe2 | data_[Er1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4896]
_cell_length_b [4.4896]
_cell_length_c [7.2922]
_ce... |
mp-1181682 | Ce(FeSb3)4 | data_[Ce2Fe8Sb24]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.1563]
_cell_length_b [9.1563]
_cell_length_c [9.1563]
_c... |
mp-36641 | Cd(Ga3Te5)2 | data_[Cd2Ga12Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.7469]
_cell_length_b [6.1704]
_cell_length_c [13.3828]
_... |
mp-1223798 | InAgTe2 | data_[In1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6098]
_cell_length_b [4.6098]
_cell_length_c [6.6293]
_c... |
mp-1095519 | Eu2In | data_[Eu8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3139]
_cell_length_b [5.4815]
_cell_length_c [10.2061]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1306 | ThAl3 | data_[Th2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5183]
_cell_length_b [6.5183]
_cell_length_c [4.6388]
_cell_angle_alpha [90.0000]
_ce... |
mp-1516877 | KYBiSbO6 | data_[K2Y2Bi2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.... |
mp-1174189 | 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 [10.2018]
_cell_length_b [6.1... |
mp-1018728 | HoSe2 | data_[Ho2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0575]
_cell_length_b [4.0575]
_cell_length_c [8.3110]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207125 | Cs(FeP)2 | data_[Cs2Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8377]
_cell_length_b [3.8377]
_cell_length_c [14.3000]
_c... |
mp-1173377 | NdPaO4 | data_[Nd4Pa4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5150]
_cell_length_b [5.5150]
_cell_length_c [10.8959]... |
mp-1080005 | Cs3Li2Br5 | data_[Cs6Li4Br10]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6473]
_cell_length_b [25.8183]
_cell_length_c [4.4640]
_ce... |
mp-1113569 | Cs2CeAgBr6 | data_[Cs8Ce4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5885]
_cell_length_b [... |
mp-13654 | Y3Sb4Au3 | data_[Y12Sb16Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.9638]
_cell_length_b [9.9638]
_cell_length_c [9.9638]
_... |
mp-5622 | Nd(CoP)2 | data_[Nd2Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8912]
_cell_length_b [3.8912]
_cell_length_c [9.8186]
_ce... |
mp-1186476 | Pm2TlSn | data_[Pm8Tl4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7507]
_cell_length_b [7.7507]
_cell_length_c [7.7507]
_c... |
mvc-12765 | Ca3Fe2(ReO6)2 | data_[Ca3Fe2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3793]
_cell_length_b [5.5366... |
mp-1186653 | PmTm | data_[Pm1Tm1]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6051]
_cell_length_b [3.6051]
_cell_length_c [5.7961]
_cell_angle_alpha [90.0000]
_cell_... |
mp-6987 | Sr(GaTe2)2 | data_[Sr4Ga8Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.8055]
_cell_length_b [11.8364]
_cell_length_c [11.9083]
... |
mp-1188065 | ZrCoH3 | data_[Zr4Co4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5420]
_cell_length_b [10.3903]
_cell_length_c [4.3133]
_ce... |
mp-1227690 | Ca3NdMn2O8 | data_[Ca3Nd1Mn2O8]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8580]
_cell_length_b [3.858... |
mp-1223924 | K4NaCl5 | data_[K8Na2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3913]
_cell_length_b [6.2969]
_cell_length_c [22.1334]
_ce... |
mp-1285900 | Sr2Mn2O5 | data_[Sr4Mn4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8098]
_cell_length_b [8.3861]
_cell_length_c [3.7058]
_cel... |
mp-21462 | Eu | data_[Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0507]
_cell_length_b [4.0507]
_cell_length_c [6.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1207446 | Zr(FeSn)6 | data_[Zr1Fe6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3704]
_cell_length_b [5.3704]
_cell_length_c [8.8972]
_... |
mp-1080600 | YbAl2Pd | data_[Yb4Al8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2855]
_cell_length_b [9.9631]
_cell_length_c [7.2700]
_ce... |
mp-1205804 | Tm2Ge6Pd | data_[Tm4Ge12Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0669]
_cell_length_b [4.0291]
_cell_length_c [21.8613]
_... |
mp-4973 | CeSF | data_[Ce2S2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9454]
_cell_length_b [3.9454]
_cell_length_c [7.0226]
_cell... |
mp-1224275 | HfTaV4 | data_[Hf4Ta4V16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2163]
_cell_length_b [7.2163]
_cell_length_c [7.2163]
_ce... |
mp-1186763 | Ta2MoW | data_[Ta8Mo4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4818]
_cell_length_b [6.4818]
_cell_length_c [6.4818]
_cel... |
mp-557640 | Nb3SnS6 | data_[Nb6Sn2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.8505]
_cell_length_b [5.8505]
_cell_length_c [14.6104]
_... |
mp-1186611 | PmNdGa2 | data_[Pm4Nd4Ga8]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3786]
_cell_length_b [7.3786]
_cell_length_c [7.3786]
_c... |
mp-571409 | Cs2Li3Br5 | data_[Cs4Li6Br10]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8555]
_cell_length_b [4.4231]
_cell_length_c [10.2522]
... |
mp-30507 | CeIr5 | data_[Ce1Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3085]
_cell_length_b [5.3085]
_cell_length_c [4.3552]
_cell_angle_alpha [90.0000]
_cell... |
mp-757564 | Li5Mn3(FeO5)2 | data_[Li5Mn3Fe2O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2224]
_cell_length_b [5.234... |
mp-978520 | SmDyRu2 | data_[Sm4Dy4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8738]
_cell_length_b [6.8738]
_cell_length_c [6.8738]
_c... |
mp-23856 | LiHO | data_[Li2H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5914]
_cell_length_b [3.5914]
_cell_length_c [4.4105]
_cell... |
mp-753806 | BSbO3 | data_[B2Sb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8460]
_cell_length_b [6.0472]
_cell_length_c [6.2209]
_cell_an... |
mp-1111296 | KTlCl3 | data_[K8Tl8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2176]
_cell_length_b [11.2176]
_cell_length_c [11.2176]
... |
mp-557121 | K2Sn(AuS2)2 | data_[K4Sn2Au4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5074]
_cell_length_b [8.4675]
... |
mp-1219203 | Si3P3Rh | data_[Si3P3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9210]
_cell_length_b [4.9393]
_cell_length_c [5.5370]
_cell_a... |
mp-1206047 | Ba2LuUO6 | data_[Ba8Lu4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7103]
_cell_length_b [8.710... |
mp-12829 | LiCaGaF6 | data_[Li2Ca2Ga2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1702]
_cell_length_b [5.1... |
mp-505311 | Sr2CrCuSO3 | data_[Sr4Cr2Cu2S2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_... |
mp-7473 | LiCu2Si | data_[Li4Cu8Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7324]
_cell_length_b [5.7324]
_cell_length_c [5.7324]
_c... |
mp-3380 | LaRhC2 | data_[La4Rh4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [3.9913]
_cell_length_b [3.9913]
_cell_length_c [15.4194]
_cel... |
mp-1187601 | Tm2TlZn | data_[Tm8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2849]
_cell_length_b [7.2849]
_cell_length_c [7.2849]
_c... |
mp-1229127 | Ag2SnBiS4 | data_[Ag4Sn2Bi2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.5727]
_cell_length_b [5.57... |
mp-1104573 | RbCu2(SeO5)2 | data_[Rb2Cu4Se4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8086]
_cell_length_b [6.24... |
mp-36480 | La2CuO4 | data_[La8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.3563]
_cell_length_b [13.1039]
_cell_length_c [5.5434]
_ce... |
mp-1187423 | Ti2BeTc | data_[Ti8Be4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1016]
_cell_length_b [6.1016]
_cell_length_c [6.1016]
_c... |
mp-998561 | CsSrCl3 | data_[Cs6Sr6Cl18]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.0945]
_cell_length_b [8.0945]
_cell_length_c [19.5058]
_c... |
mp-6440 | CaTiSiO5 | data_[Ca4Ti4Si4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6637]
_cell_length_b [8.77... |
mp-1222744 | LaZnCuP2 | data_[La1Zn1Cu1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0769]
_cell_length_b [4.076... |
mp-1190020 | AlBi2Se2BrCl4 | data_[Al2Bi4Se4Br2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length... |
mp-31055 | Sc3InN | data_[Sc3In1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4746]
_cell_length_b [4.4746]
_cell_length_c [4.4746]
_cel... |
mp-1208026 | TlFe(SeO4)2 | data_[Tl1Fe1Se2O8]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [5.1994]
_cell_length_b [5.199... |
mp-1188122 | Ba2ErInSe5 | data_[Ba8Er4In4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2951]
_cell_length_b [... |
mp-1184077 | Er2ZnGa | data_[Er8Zn4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0760]
_cell_length_b [7.0760]
_cell_length_c [7.0760]
_c... |
mp-5899 | NdAlO3 | data_[Nd6Al6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.3813]
_cell_length_b [5.3813]
_cell_length_c [13.0054]
_ce... |
mp-375 | UO3 | data_[U1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1648]
_cell_length_b [4.1648]
_cell_length_c [4.1648]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1147665 | K4MgCu3F12 | data_[K8Mg2Cu6F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.1534]
_cell_length_b [8.153... |
mp-1026975 | MoWSeS3 | data_[Mo2W2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2203]
_cell_length_b [3.2203]... |
mp-1224070 | HgBrCl | data_[Hg4Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.2910]
_cell_length_b [7.4355]
_cell_length_c [13.59... |
mp-3349 | Sr3Ti2O7 | data_[Sr6Ti4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9409]
_cell_length_b [3.9409]
_cell_length_c [20.5119]
_... |
mp-8976 | Cu2WS4 | data_[Cu2W1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.4556]
_cell_length_b [5.4556]
_cell_length_c [5.6990]
_cell_... |
mp-1080523 | Ho3Ni2 | data_[Ho12Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1131]
_cell_length_b [3.6888]
_cell_length_c [9.3868]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105784 | DySiPd2 | data_[Dy4Si4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3539]
_cell_length_b [6.9650]
_cell_length_c [5.5444]
_ce... |
mp-1018946 | PrZnGa | data_[Pr2Zn2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5099]
_cell_length_b [4.5099]
_cell_length_c [7.7682]... |
mp-5984 | Y(BRh)4 | data_[Y2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3471]
_cell_length_b [5.3471]
_cell_length_c [7.4709]
_ce... |
mp-1102150 | LuAsPt | data_[Lu4As4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2425]
_cell_length_b [4.2425]
_cell_length_c [15.2876... |
mp-1227713 | Ca2Tl2O5 | data_[Ca8Tl8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4018]
_cell_length_b [11.3342]
_cell_length_c [13.6847]
... |
mp-1216941 | U2MnFeSe6 | data_[U4Mn2Fe2Se12]
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
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9706]
_cell_length_b [3.8... |
mp-1079918 | CaCO3 | data_[Ca2C2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8300]
_cell_length_b [5.1230]
_cell_length_c [6.6413]
_cell_an... |
mp-1226043 | CsFeCoF6 | data_[Cs4Fe4Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3896]
_cell_length_b [7.53... |
mp-1216793 | UNiP2 | data_[U3Ni3P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7911]
_cell_length_b [3.7960]
_cell_length_c [13.3256]
_cell_... |
mp-1246701 | MgTiMnS4 | data_[Mg4Ti4Mn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1985]
_cell_length_b [7.33... |
mp-1076454 | Sr2Ti2O5 | data_[Sr8Ti8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.8409]
_cell_length_b [5.6772]
_cell_length_c [5.6494]
_ce... |
mp-1212520 | GdZrF7 | data_[Gd2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.2083]
_cell_length_b [5.7773]
_cell_length_c [8.3953]
_cel... |
mp-1105703 | Ce2Si5Ir3 | data_[Ce8Si20Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.0124]
_cell_length_b [11.5699]
_cell_length_c [5.8964]... |
mp-979045 | Tm2CuPd | data_[Tm8Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8845]
_cell_length_b [6.8845]
_cell_length_c [6.8845]
_c... |
mp-764103 | Mn6O7F5 | data_[Mn12O14F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.1114]
_cell_length_b [6.2692]
_cell_length_c [7.0645]
_cel... |
mp-1220300 | Nd2Si4RuRh3 | data_[Nd2Si4Ru1Rh3]
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
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1404]
_cell_length_b [4.... |
mp-4662 | ScOF | data_[Sc4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3400]
_cell_length_b [4.9383]
_cell_length_c [5.8158]
_cell... |
mp-1228307 | Ba4Ce2In2O11 | data_[Ba4Ce2In2O11]
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
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1294]
_cell_length_b [8.8622... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.