Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1068843 | Sm2BiO2 | data_[Sm4Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9718]
_cell_length_b [3.9718]
_cell_length_c [13.8873]
_c... |
mp-1206903 | Nd3(AgGe)4 | data_[Nd6Ag8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4653]
_cell_length_b [7.2258]
_cell_length_c [14.8199]
_c... |
mp-1216352 | VFe3 | data_[V2Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9220]
_cell_length_b [4.0238]
_cell_length_c [8.0314]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1207109 | SmHg2 | data_[Sm1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9778]
_cell_length_b [4.9778]
_cell_length_c [3.5605]
_cell_angle_alpha [90.0000]
_cell... |
mp-1101850 | Ho3(CuSn)4 | data_[Ho6Cu8Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4650]
_cell_length_b [6.9368]
_cell_length_c [14.6694]
_c... |
mp-20689 | Nb3B2 | data_[Nb6B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2352]
_cell_length_b [6.2352]
_cell_length_c [3.3094]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1227456 | Ca10Ge6F | data_[Ca20Ge12F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.7255]
_cell_length_b [7.7255]
_cell_length_c [14.7652]
_... |
mp-1185101 | LaYZn2 | data_[La4Y4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3643]
_cell_length_b [7.3643]
_cell_length_c [7.3643]
_cel... |
mp-866196 | Li2PrIn | data_[Li8Pr4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0473]
_cell_length_b [7.0473]
_cell_length_c [7.0473]
_c... |
mp-1217284 | ThUN2 | data_[Th1U1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5580]
_cell_length_b [3.5580]
_cell_length_c [5.0309]
_cell... |
mp-621176 | YInAu | data_[Y3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7467]
_cell_length_b [7.7467]
_cell_length_c [4.0434]
_cel... |
mp-867111 | LiDy2Ru | data_[Li4Dy8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [6.9452]
_cell_length_b [6.9452]
_cell_length_c [6.9452]
_c... |
mp-862861 | Pa3Si | data_[Pa3Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4473]
_cell_length_b [4.4473]
_cell_length_c [4.4473]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218472 | Sr2YFeCu2O7 | data_[Sr2Y1Fe1Cu2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a ... |
mp-1187095 | Sr2PdAu | data_[Sr8Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6374]
_cell_length_b [7.6374]
_cell_length_c [7.6374]
_c... |
mp-866171 | YMgAu2 | data_[Y4Mg4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9559]
_cell_length_b [6.9559]
_cell_length_c [6.9559]
_cel... |
mp-1187682 | Tm3Th | data_[Tm6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0847]
_cell_length_b [7.0847]
_cell_length_c [5.7278]
_cell_angle_alpha [90.0000]
_ce... |
mp-755536 | RbFeO2 | data_[Rb4Fe4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.9619]
_cell_length_b [8.1205]
_cell_length_c [5.9320]
_ce... |
mp-20738 | FeSi2 | data_[Fe1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7049]
_cell_length_b [2.7049]
_cell_length_c [5.1378]
_cell_angle_alpha [90.0000]
_cell... |
mp-1516990 | Sr2PrBiO6 | data_[Sr4Pr2Bi2O12]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0293]
_cell_length_b [6.... |
mp-977475 | ZrInPd2 | data_[Zr4In4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6426]
_cell_length_b [6.6426]
_cell_length_c [6.6426]
_c... |
mp-1227718 | Ca2TiRuO6 | data_[Ca4Ti2Ru2O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4299]
_cell_length_b [5.... |
mp-1189701 | SrHg3 | data_[Sr4Hg12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7906]
_cell_length_b [9.9312]
_cell_length_c [6.8670]
_cell_angle_alpha [90.0000]
_cell_... |
mp-565 | Sn2Rh | data_[Sn8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.4976]
_cell_length_b [6.4976]
_cell_length_c [5.7905]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206335 | PrSiNi | data_[Pr4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1656]
_cell_length_b [4.1656]
_cell_length_c [14.0151]
... |
mp-1522224 | BaSrLaBiO6 | data_[Ba2Sr2La2Bi2O12]
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
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1102650 | TaCoSi | data_[Ta4Co4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2157]
_cell_length_b [3.6543]
_cell_length_c [7.0306]
_ce... |
mp-22244 | GdCrO4 | data_[Gd4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2997]
_cell_length_b [7.2997]
_cell_length_c [6.3467]
... |
mp-752692 | K2SnO2 | data_[K8Sn4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3087]
_cell_length_b [7.5778]
_cell_length_c [9.9983]
_cell_an... |
mp-1101851 | Mg2Si | data_[Mg8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0095]
_cell_length_b [4.2042]
_cell_length_c [8.0395]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1183639 | CdHg3 | data_[Cd4Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7262]
_cell_length_b [7.7262]
_cell_length_c [7.7262]
_cell_angle_alpha [90.0000]
_cell... |
mp-1187100 | Sr2Mg | data_[Sr4Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2315]
_cell_length_b [4.2315]
_cell_length_c [14.2983]
_cell_angle_alpha [90.0000]
_cel... |
mp-1105990 | Ho5Ge3C | data_[Ho10Ge6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4856]
_cell_length_b [8.4856]
_cell_length_c [6.4343]
... |
mp-865380 | Tm2PdPt | data_[Tm8Pd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9047]
_cell_length_b [6.9047]
_cell_length_c [6.9047]
_c... |
mp-1184718 | Ho3Er | data_[Ho6Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1814]
_cell_length_b [7.1814]
_cell_length_c [5.6166]
_cell_angle_alpha [90.0000]
_ce... |
mp-1228837 | AlZnCrS4 | data_[Al4Zn4Cr4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1179]
_cell_length_b [7.12... |
mp-1025497 | AlV2C | data_[Al2V4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9096]
_cell_length_b [2.9096]
_cell_length_c [13.0972]
_c... |
mp-1176635 | LiMnF3 | data_[Li4Mn4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0292]
_cell_length_b [9.6606]
_cell_length_c [7.1070]
_cel... |
mp-1186615 | PmNdRu2 | data_[Pm4Nd4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0132]
_cell_length_b [7.0132]
_cell_length_c [7.0132]
_c... |
mp-754099 | Li2TiFe2O5 | data_[Li4Ti2Fe4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
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 [4.2147]
_cell_length_b [6.116... |
mp-623511 | Sn | data_[Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5021]
_cell_length_b [3.5021]
_cell_length_c [4.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-1219239 | Sm2Fe15Si2 | data_[Sm4Fe30Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6001]
_cell_length_b [8.4493]
_cell_length_c [6.4262]
_cel... |
mp-1187813 | YbCrTeO6 | data_[Yb4Cr4Te4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1838]
_cell_length_b [8.81... |
mp-30211 | La5Sn3I | data_[La10Sn6I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7875]
_cell_length_b [9.7875]
_cell_length_c [7.1413]
... |
mp-1218744 | Sr2NbFeO6 | data_[Sr2Nb1Fe1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6972]
_cell_length_b [5.6... |
mp-1102673 | KTeO4 | data_[K4Te4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2272]
_cell_length_b [11.5361]
_cell_length_c [5.1759]
_cell... |
mp-1183859 | CeHoMg2 | data_[Ce4Ho4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6336]
_cell_length_b [7.6336]
_cell_length_c [7.6336]
_c... |
mp-10173 | Li | data_[Li2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0775]
_cell_length_b [3.0775]
_cell_length_c [4.9229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1232420 | LiMg2Ir | data_[Li4Mg8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3729]
_cell_length_b [6.3729]
_cell_length_c [6.3729]
_c... |
mp-1218839 | Sr2EuTa(CuO4)2 | data_[Sr4Eu2Ta2Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length... |
mp-754232 | Li4Co3WO8 | data_[Li12Co9W3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0583]
_cell_length_b [6.058... |
mp-1227566 | Bi3PbWClO8 | data_[Bi3Pb1W1Cl1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-971769 | Tm | data_[Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5048]
_cell_length_b [3.5048]
_cell_length_c [11.3012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-557929 | Tl(Cu3S2)2 | data_[Tl2Cu12S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9258]
_cell_length_b [3.9258]
_cell_length_c [24.1132]
_... |
mp-12283 | Li5Tl2 | data_[Li15Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7419]
_cell_length_b [4.7419]
_cell_length_c [20.5005]
_cell_angle_alpha [90.0000]
_cell... |
mp-12753 | GdAl | data_[Gd1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6358]
_cell_length_b [3.6358]
_cell_length_c [3.6358]
_cell_angle_alpha [90.0000]
_cell_... |
mp-188 | AlPt3 | data_[Al1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9228]
_cell_length_b [3.9228]
_cell_length_c [3.9228]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1188239 | Pr2Ni3Ge5 | data_[Pr8Ni12Ge20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.7889]
_cell_length_b [11.7564]
_cell_length_c [5.9345]
... |
mp-11453 | HfPd3 | data_[Hf4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6707]
_cell_length_b [5.6707]
_cell_length_c [9.3000]
_cell_angle_alpha [90.0000]
_c... |
mp-4409 | Cu(RhO2)2 | data_[Cu8Rh16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.6241]
_cell_length_b [8.6241]
_cell_length_c [8.6241]
_c... |
mp-28978 | Ba2S3 | data_[Ba8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.0946]
_cell_length_b [6.0946]
_cell_length_c [16.1511]
_cell_angle_alpha [90.0000]
_cell... |
mp-22731 | MnInNi2 | data_[Mn4In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0497]
_cell_length_b [6.0497]
_cell_length_c [6.0497]
_c... |
mp-1518907 | BaSrDySbO6 | data_[Ba2Sr2Dy2Sb2O12]
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
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1187294 | Tb3Ho | data_[Tb6Ho2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0166]
_cell_length_b [5.0166]
_cell_length_c [10.0755]
_cell_angle_alpha [90.0000]
_cel... |
mp-571271 | TmPt2 | data_[Tm8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6524]
_cell_length_b [7.6524]
_cell_length_c [7.6524]
_cell_angle_alpha [90.0000]
_cell... |
mp-865240 | Lu2MgIn | data_[Lu8Mg4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3803]
_cell_length_b [7.3803]
_cell_length_c [7.3803]
_c... |
mp-1298790 | Mn2CuO4 | data_[Mn8Cu4O16]
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 [Imma]
_cell_length_a [5.8591]
_cell_length_b [5.9679]
_cell_length_c [8.4439]
_cel... |
mp-1113610 | Cs2DyAgCl6 | data_[Cs8Dy4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8681]
_cell_length_b [... |
mp-1067744 | YTlSe2 | data_[Y3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1919]
_cell_length_b [4.1919]
_cell_length_c [23.4227]
_cel... |
mp-772541 | Mn3TeO8 | data_[Mn6Te2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3902]
_cell_length_b [5.9263]
_cell_length_c [5.8745]
_ce... |
mp-1519349 | KBaCeBiO6 | data_[K4Ba4Ce4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1079264 | Nb(SBr)2 | data_[Nb4S8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7242]
_cell_length_b [11.4828]
_cell_length_c [7.1873]
_cel... |
mp-1079915 | PrAu | data_[Pr4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5927]
_cell_length_b [4.8337]
_cell_length_c [5.9219]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225089 | GaFe2Co4Si | data_[Ga3Fe6Co12Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0143]
_cell_length_b [4.... |
mp-555549 | BaMo(PO4)2 | data_[Ba2Mo2P4O16]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3896]
_cell_length_b [5.3601... |
mp-571561 | Sm(NiSn)2 | data_[Sm2Ni4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3962]
_cell_length_b [4.3962]
_cell_length_c [10.5031]
... |
mp-2947 | SmB2Rh3 | data_[Sm1B2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4783]
_cell_length_b [5.4783]
_cell_length_c [3.1359]
_ce... |
mp-755637 | Ni3OF5 | data_[Ni12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0248]
_cell_length_b [6.7172]
_cell_length_c [7.2736]
_cell... |
mp-1217965 | TaB2Mo | data_[Ta2B4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1280]
_cell_length_b [3.2426]
_cell_length_c [8.6227]
_cell... |
mp-1189127 | TbGa2Ni3 | data_[Tb3Ga6Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.9220]
_cell_length_b [8.9220]
_cell_length_c [3.8988]
_... |
mp-985302 | Ac3Pr | data_[Ac6Pr2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8922]
_cell_length_b [7.8922]
_cell_length_c [6.3692]
_cell_angle_alpha [90.0000]
_ce... |
mp-2760 | Nb6C5 | data_[Nb12C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5211]
_cell_length_b [9.5373]
_cell_length_c [5.5121]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1164 | ThC | data_[Th4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3546]
_cell_length_b [5.3546]
_cell_length_c [5.3546]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-30250 | YAgO2 | data_[Y2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5441]
_cell_length_b [3.5441]
_cell_length_c [12.5508]
_c... |
mp-1078963 | V3GaN | data_[V12Ga4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9803]
_cell_length_b [10.2197]
_cell_length_c [7.8840]
_cell... |
mp-1207018 | TbFeSi2 | data_[Tb2Fe2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2849]
_cell_length_b [3.9506]
_cell_length_c [7.9511]
_... |
mp-541989 | Na2CN2 | data_[Na4C2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0553]
_cell_length_b [5.0113]
_cell_length_c [5.5842]
_cell_a... |
mp-28235 | Tl(CuO)2 | data_[Tl4Cu8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5819]
_cell_length_b [6.1893]
_cell_length_c [9.0557]
_cell... |
mp-1095172 | CsNdS2 | data_[Cs2Nd2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2511]
_cell_length_b [4.2511]
_cell_length_c [16.1458]
... |
mp-1173884 | Li2MnCoO4 | data_[Li8Mn4Co4O16]
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 [19.2453]
_cell_length_b [2.9... |
mp-1224356 | Ge5Te4Se | data_[Ge10Te8Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2031]
_cell_length_b [4.2031]
_cell_length_c [30.2096]... |
mp-1216719 | U2TeSe | data_[U6Te3Se3]
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 [R-3m]
_cell_length_a [4.2906]
_cell_length_b [4.2906]
_cell_length_c [19.8701]
_cel... |
mp-1219503 | RuRh | data_[Ru1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7334]
_cell_length_b [2.7334]
_cell_length_c [4.3378]
_cell_angle_alpha [90.0000]
_cell_... |
mp-557399 | KSnSO4F | data_[K2Sn2S2O8F2]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.24... |
mp-571264 | Ca5Au4 | data_[Ca10Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0991]
_cell_length_b [8.1315]
_cell_length_c [7.8053]
_cell_angle_alpha [90.0000]
_cel... |
mp-770778 | VCrO3 | data_[V4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1270]
_cell_length_b [5.4990]
_cell_length_c [8.8279]
_cell_an... |
mp-1185132 | LaPr3 | data_[La2Pr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2901]
_cell_length_b [5.2901]
_cell_length_c [10.5450]
_cell_angle_alpha [90.0000]
_cel... |
mp-24595 | Ca2B5H2ClO10 | data_[Ca2B5H2Cl1O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.... |
mp-28660 | Ca2Cu6P5 | data_[Ca4Cu12P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0076]
_cell_length_b [4.0076]
_cell_length_c [24.6460]
... |
mp-1219784 | Rb2Ti(WO4)3 | data_[Rb4Ti2W6O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.6431]
_cell_length_b [7.3897]... |
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