Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1227445 | BaSrNdTlCu2O7 | data_[Ba1Sr1Nd1Tl1Cu2O7]
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
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_gro... |
mp-542333 | Cu9S5 | data_[Cu27S15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8738]
_cell_length_b [3.8738]
_cell_length_c [48.2172]
_cell_angle_alpha [90.0000]
_cell_... |
mp-3939 | Sm(SiNi)2 | data_[Sm2Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0187]
_cell_length_b [4.0187]
_cell_length_c [9.5710]
_... |
mp-1078999 | NdAlH6 | data_[Nd3Al3H18]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4427]
_cell_length_b [6.4427]
_cell_length_c [6.1884]
_cel... |
mp-862916 | PmInCu2 | data_[Pm4In4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7409]
_cell_length_b [6.7409]
_cell_length_c [6.7409]
_c... |
mp-989695 | Cu | data_[Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.5576]
_cell_length_b [2.5576]
_cell_length_c [8.3431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-1076960 | TmB2Rh3 | data_[Tm1B2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [5.4109]
_cell_length_b [5.4109]
_cell_length_c [3.1225]
_ce... |
mp-1186274 | Nd3Mg | data_[Nd3Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0461]
_cell_length_b [5.0461]
_cell_length_c [5.0461]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1495 | ErIr2 | data_[Er8Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5552]
_cell_length_b [7.5552]
_cell_length_c [7.5552]
_cell_angle_alpha [90.0000]
_cell... |
mp-756520 | Li2AlCoO4 | data_[Li8Al4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.5176]
_cell_length_b [7.... |
mp-1213232 | CsPO3 | data_[Cs4P4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.6242]
_cell_length_b [6.5334]
_cell_length_c [13.8452]
_cell... |
mp-27833 | Tl2TeCl6 | data_[Tl8Te4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3739]
_cell_length_b [10.3739]
_cell_length_c [10.3739... |
mp-1111662 | K2LiSbF6 | data_[K8Li4Sb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5989]
_cell_length_b [8.598... |
mp-1187210 | Ta2TcOs | data_[Ta8Tc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3780]
_cell_length_b [6.3780]
_cell_length_c [6.3780]
_c... |
mp-16118 | RbDy2CuSe4 | data_[Rb4Dy8Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1399]
_cell_length_b [14... |
mp-753536 | Li2CoNiO4 | data_[Li8Co4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7350]
_cell_length_b [5.75... |
mp-1095461 | NdCo3 | data_[Nd9Co27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0844]
_cell_length_b [5.0844]
_cell_length_c [24.8103]
_cell_angle_alpha [90.0000]
_cell... |
mp-1227736 | BaSr(SnO3)2 | data_[Ba4Sr4Sn8O24]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3031]
_cell_length_b [8.3... |
mp-1178620 | ZrPRu | data_[Zr3P3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.4694]
_cell_length_b [6.4694]
_cell_length_c [3.8397]
_cel... |
mp-6647 | BaYAgSe3 | data_[Ba4Y4Ag4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2969]
_cell_length_b [14.3... |
mp-11531 | VNi2 | data_[V2Ni4]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.5215]
_cell_length_b [3.5755]
_cell_length_c [7.5932]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1105551 | Tb5Rh3 | data_[Tb10Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3337]
_cell_length_b [8.3337]
_cell_length_c [6.3392]
_cell_angle_alpha [90.0000]
_c... |
mp-1206567 | Ba2ScPaO6 | data_[Ba8Sc4Pa4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6330]
_cell_length_b [8.6... |
mp-1103989 | Nd(Mo3S4)2 | data_[Nd3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1954]
_cell_length_b [9.1954]
_cell_length_c [11.5378]
_ce... |
mp-1072802 | CaZnSn | data_[Ca2Zn2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6233]
_cell_length_b [4.6233]
_cell_length_c [8.1843]... |
mp-504997 | NdCu(WO4)2 | data_[Nd1Cu1W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1411]
_cell_length_b [6.1027]
... |
mp-1226949 | Ce2Ga5Cu3 | data_[Ce2Ga5Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2262]
_cell_length_b [4.2262]
_cell_length_c [10.2086]
_... |
mp-1103650 | RbCu2I3 | data_[Rb4Cu8I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.9993]
_cell_length_b [13.7991]
_cell_length_c [5.6408]
_c... |
mp-22949 | FeBiO3 | data_[Fe3Bi3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6625]
_cell_length_b [5.6625]
_cell_length_c [7.2198]
_cell_... |
mp-1106265 | Ba2YGaSe5 | data_[Ba4Y2Ga2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4030]
_cell_length_b [8.786... |
mp-1185509 | LuAlCu2 | data_[Lu4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3117]
_cell_length_b [6.3117]
_cell_length_c [6.3117]
_c... |
mp-9059 | KLi6TaO6 | data_[K3Li18Ta3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3167]
_cell_length_b [8.316... |
mp-1225118 | Er(Fe5Si)2 | data_[Er2Fe20Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7477]
_cell_length_b [8.2783]
_cell_length_c [8.3302]
_c... |
mp-1079261 | ErCuSb2 | data_[Er2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2918]
_cell_length_b [4.2918]
_cell_length_c [9.7805]
_... |
mp-1095127 | USbRu | data_[U3Sb3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4039]
_cell_length_b [7.4039]
_cell_length_c [3.9859]
_cel... |
mp-28369 | GeH3Cl | data_[Ge4H12Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.6823]
_cell_length_b [5.8066]
_cell_length_c [8.5831]
_c... |
mp-1232117 | EuS2 | data_[Eu2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8994]
_cell_length_b [3.8994]
_cell_length_c [8.5870]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1174771 | Li6Mn3CoO10 | data_[Li6Mn3Co1O10]
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 [5.0285]
_cell_length_b [5.8270... |
mp-989590 | Ca6Sn2NF | data_[Ca24Sn8N4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8437]
_cell_length_b [9.843... |
mp-684996 | Ba3LaZnReWO12 | data_[Ba9La3Zn3Re3W3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_grou... |
mp-1219244 | Sm2CrFe16 | data_[Sm6Cr3Fe48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5001]
_cell_length_b [8.5001]
_cell_length_c [12.5072]
_c... |
mp-980055 | YErMg2 | data_[Y4Er4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5773]
_cell_length_b [7.5773]
_cell_length_c [7.5773]
_cel... |
mp-574339 | Y2Ni7 | data_[Y12Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9379]
_cell_length_b [4.9379]
_cell_length_c [36.1068]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1028586 | Te2W | data_[Te8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5571]
_cell_length_b [3.5571]
_cell_length_c [40.1392]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1247376 | Sr2PtN2 | data_[Sr4Pt2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8845]
_cell_length_b [3.8845]
_cell_length_c [12.8614]
_c... |
mp-1025500 | ZnCu2SnS4 | data_[Zn2Cu4Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.4519]
_cell_length_b [5.45... |
mp-4909 | V2NiS4 | data_[V4Ni2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1638]
_cell_length_b [3.2242]
_cell_length_c [5.8547]
_cell_... |
mp-1173173 | SrLaGaCuO5 | data_[Sr4La4Ga4Cu4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a... |
mp-177 | USb | data_[U1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7298]
_cell_length_b [3.7298]
_cell_length_c [3.7298]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1018691 | Eu2H3Br | data_[Eu2H3Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0721]
_cell_length_b [4.0721]
_cell_length_c [7.1916]
_cel... |
mp-1113013 | Cs2LiMoBr6 | data_[Cs8Li4Mo4Br24]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9339]
_cell_length_b [... |
mp-1184811 | InGa3 | data_[In2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1740]
_cell_length_b [6.1740]
_cell_length_c [5.2059]
_cell_angle_alpha [90.0000]
_ce... |
mp-569940 | K3Bi | data_[K6Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2457]
_cell_length_b [6.2457]
_cell_length_c [11.0928]
_cell_angle_alpha [90.0000]
_cel... |
mp-1079937 | Pr3Si2 | data_[Pr6Si4]
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
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8824]
_cell_length_b [7.8824]
_cell_length_c [4.3416]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219960 | Pb4SeS3 | data_[Pb12Se3S9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2912]
_cell_length_b [4.2912]
_cell_length_c [41.5733]
_ce... |
mp-1220186 | NdFeRu | data_[Nd4Fe4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2586]
_cell_length_b [5.5623]
_cell_length_c [7.4629]
_ce... |
mp-977369 | HoMgHg2 | data_[Ho4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1710]
_cell_length_b [7.1710]
_cell_length_c [7.1710]
_c... |
mp-1078577 | DyNiGe2 | data_[Dy4Ni4Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1174]
_cell_length_b [16.4397]
_cell_length_c [4.2261]
_c... |
mp-1223529 | KCu7S4 | data_[K1Cu7S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8441]
_cell_length_b [7.3688]
_cell_length_c [7.4043]
_cell_ang... |
mp-981549 | Y3Th | data_[Y6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2333]
_cell_length_b [7.2333]
_cell_length_c [5.8106]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184310 | Eu2ZnGa | data_[Eu8Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [7.5210]
_cell_length_b [7.5210]
_cell_length_c [7.5210]
_c... |
mp-1225824 | CsVZnF6 | data_[Cs4V4Zn4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4434]
_cell_length_b [7.6050... |
mp-1025224 | V(CrS2)2 | data_[V2Cr4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4990]
_cell_length_b [3.4231]
_cell_length_c [6.1121]
_cell_... |
mp-864996 | AcMg5 | data_[Ac1Mg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.1639]
_cell_length_b [6.1639]
_cell_length_c [5.0018]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30777 | MgPt3 | data_[Mg1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9670]
_cell_length_b [3.9670]
_cell_length_c [3.9670]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2619 | FeSb | data_[Fe2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0148]
_cell_length_b [4.0148]
_cell_length_c [5.0198]
_cell_angle_alpha [90.0000]
_ce... |
mp-761036 | CdSeO4 | data_[Cd4Se4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7285]
_cell_length_b [8.7195]
_cell_length_c [7.3081]
_cel... |
mp-29582 | Li2CrCl4 | data_[Li8Cr4Cl16]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2354]
_cell_length_b [10.0666]
_cell_length_c [7.5704]
... |
mp-1093992 | ZrN | data_[Zr2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2076]
_cell_length_b [3.2076]
_cell_length_c [5.5204]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206307 | YbInNi4 | data_[Yb4In4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9694]
_cell_length_b [6.9694]
_cell_length_c [6.9694]
_... |
mp-29015 | CaThBr6 | data_[Ca2Th2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.2209]
_cell_length_b [4.1798]
_cell_length_c [13.8078]
_... |
mp-1147541 | Cu3As4(OF)6 | data_[Cu6As8O12F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.0636]
_cell_length_b [8.06... |
mp-1178515 | BaYF5 | data_[Ba2Y2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.5154]
_cell_length_b [3.9155]
_cell_length_c [3.9160]
_cell... |
mp-1186541 | Pm3Sm | data_[Pm6Sm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3207]
_cell_length_b [7.3207]
_cell_length_c [5.9762]
_cell_angle_alpha [90.0000]
_ce... |
mp-5556 | U(SiRh)2 | data_[U2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0203]
_cell_length_b [4.0203]
_cell_length_c [10.1128]
_c... |
mp-1227441 | BiSbPt | data_[Bi4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.7045]
_cell_length_b [6.7045]
_cell_length_c [6.7045]
_c... |
mp-977356 | ZnGaIr2 | data_[Zn4Ga4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0823]
_cell_length_b [6.0823]
_cell_length_c [6.0823]
_c... |
mp-3923 | Th2MnN3 | data_[Th4Mn2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.8775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5476]
_cell_length_b [3.8577]
_cell_length_c [12.7096]
_cel... |
mp-1018672 | CoAs2 | data_[Co2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.1241]
_cell_length_b [5.9067]
_cell_length_c [3.1183]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-865816 | YbPd2Pb | data_[Yb4Pd8Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8519]
_cell_length_b [6.8519]
_cell_length_c [6.8519]
_c... |
mp-756516 | LiMnO2 | data_[Li8Mn8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3433]
_cell_length_b [5.9227]
_cell_length_c [5.9168]
_ce... |
mp-1184253 | ErTmAg2 | data_[Er4Tm4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2058]
_cell_length_b [7.2058]
_cell_length_c [7.2058]
_c... |
mp-1247231 | Lu3Mg2TiS8 | data_[Lu9Mg6Ti3S24]
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
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7140]
_cell_length_b [7.71... |
mp-1209614 | Pu4Sb3 | data_[Pu16Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.2995]
_cell_length_b [9.2995]
_cell_length_c [9.2995]
_cell_angle_alpha [90.0000]
_cel... |
mp-865358 | DySnRu2 | data_[Dy4Sn4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6119]
_cell_length_b [6.6119]
_cell_length_c [6.6119]
_c... |
mp-1217210 | Ti2Te3 | data_[Ti8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5150]
_cell_length_b [7.8974]
_cell_length_c [9.2383]
_cell_angle_alpha [90.9356]
_cell_a... |
mp-758901 | LiVO2 | data_[Li5V5O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1617]
_cell_length_b [5.2155]
_cell_length_c [7.9044]
_cell_a... |
mp-568428 | KNa(BH4)2 | data_[K3Na3B6H24]
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
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.5312]
_cell_length_b [4.5312]
_... |
mp-862665 | AcGe3 | data_[Ac2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6445]
_cell_length_b [6.6445]
_cell_length_c [4.9680]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079487 | Nb(SBr)2 | data_[Nb2S4Br4]
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 [P-1]
_cell_length_a [6.6579]
_cell_length_b [6.6607]
_cell_length_c [7.7112]
_cell_... |
mp-568338 | Sr2GeN2 | data_[Sr16Ge8N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4646]
_cell_length_b [11.4724]
_cell_length_c [12.2666]
_... |
mvc-14182 | ZnCuF4 | data_[Zn4Cu8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.0996]
_cell_length_b [5.1450]
_cell_length_c [5.1828]
_cell... |
mp-7784 | SbAsO4 | data_[Sb2As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9445]
_cell_length_b [7.1093]
_cell_length_c [5.6656]
_ce... |
mp-1105859 | CsTi5Se8 | data_[Cs2Ti10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0416]
_cell_length_b [3.7486]
_cell_length_c [9.2807]
... |
mp-567747 | Co7Mo6 | data_[Co21Mo18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7497]
_cell_length_b [4.7497]
_cell_length_c [25.5319]
_cell_angle_alpha [90.0000]
_cel... |
mp-1188143 | Sm(BIr)4 | data_[Sm2B8Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.6856]
_cell_length_b [7.6856]
_cell_length_c [3.9866]
_ce... |
mp-1218353 | SrCaU2O8 | data_[Sr3Ca3U6O24]
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
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9122]
_cell_length_b [3.9122... |
mp-1394 | Rb2O | data_[Rb8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8772]
_cell_length_b [6.8772]
_cell_length_c [6.8772]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1225301 | DyAgTe2 | data_[Dy1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5044]
_cell_length_b [4.5044]
_cell_length_c [7.3420]
_ce... |
mp-643026 | SrH4(ClO)2 | data_[Sr4H16Cl8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [C2/c]
_cell_length_a [11.8497]
_cell_length_b [6.463... |
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