Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-21053 | U(FeP3)4 | data_[U2Fe8P24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.7666]
_cell_length_b [7.7666]
_cell_length_c [7.7666]
_cell_... |
mp-1094880 | SrMg | data_[Sr2Mg2]
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 [Pmma]
_cell_length_a [5.9812]
_cell_length_b [4.0095]
_cell_length_c [6.1168]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20186 | PrRuO3 | data_[Pr4Ru4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9866]
_cell_length_b [7.8523]
_cell_length_c [5.3809]
_cel... |
mp-4788 | K(OsO3)2 | data_[K8Os16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.2215]
_cell_length_b [10.2215]
_cell_length_c [10.2215]
_... |
mp-1224103 | In2CuTe3Br | data_[In2Cu1Te3Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2064]
_cell_length_b [6.225... |
mp-22765 | Eu2Si3Pd | data_[Eu4Si6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.3230]
_cell_length_b [8.3230]
_cell_length_c [4.3148]
_... |
mp-862681 | ErMg3 | data_[Er4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [7.3014]
_cell_length_b [7.3014]
_cell_length_c [7.3014]
_cell_angle_alpha [90.0000]
_cell... |
mp-16609 | Si3Os2 | data_[Si12Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-4c2]
_cell_length_a [5.6510]
_cell_length_b [5.6510]
_cell_length_c [8.9439]
_cell_angle_alpha [90.0000]
_cell... |
mp-6798 | Ba2NaReO6 | data_[Ba8Na4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4213]
_cell_length_b [8.4... |
mp-1210246 | NaMo3Se4 | data_[Na2Mo6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0629]
_cell_length_b [7.1002]
_cell_length_c [7.1281]
_cel... |
mp-552488 | LaCuSeO | data_[La2Cu2Se2O2]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0695]
_cell_length_b [4.0... |
mp-1096933 | CsAgO2 | data_[Cs4Ag4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2755]
_cell_length_b [12.7508]
_cell_length_c [6.0896]
_cel... |
mp-865306 | Tm2CuOs | data_[Tm8Cu4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7707]
_cell_length_b [6.7707]
_cell_length_c [6.7707]
_c... |
mp-567412 | Y5Sn3 | data_[Y10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9836]
_cell_length_b [8.9836]
_cell_length_c [6.5834]
_cell_angle_alpha [90.0000]
_cel... |
mp-1064367 | BaPd | data_[Ba2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1322]
_cell_length_b [5.1322]
_cell_length_c [5.6509]
_cell_angle_alpha [90.0000]
_ce... |
mp-1287949 | Sr2FeWO6 | data_[Sr4Fe2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
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 [5.6632]
_cell_length_b [5.7473]... |
mp-12561 | TaAs2 | data_[Ta4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4399]
_cell_length_b [3.4259]
_cell_length_c [7.8478]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1229125 | Ag2BiSbTe4 | data_[Ag4Bi2Sb2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.1963]
_cell_length_b [6.... |
mp-1205978 | CaAgPb | data_[Ca3Ag3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9680]
_cell_length_b [4.9680]
_cell_length_c [11.2240]
_... |
mp-22505 | GdAl3Pd2 | data_[Gd1Al3Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4347]
_cell_length_b [5.4347]
_cell_length_c [4.2218]
_... |
mp-1209348 | Rb5(TmI4)3 | data_[Rb5Tm3I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [15.0961]
_cell_length_b [15.0961]
_cell_length_c [4.5883]
_... |
mp-1186950 | Sc2InHg | data_[Sc8In4Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1013]
_cell_length_b [7.1013]
_cell_length_c [7.1013]
_c... |
mp-570606 | Pr4Ge3 | data_[Pr16Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.2556]
_cell_length_b [9.2556]
_cell_length_c [9.2556]
_cell_angle_alpha [90.0000]
_cel... |
mp-1188008 | Zr3Ga | data_[Zr3Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3676]
_cell_length_b [4.3676]
_cell_length_c [4.3676]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079900 | Dy(NiB)2 | data_[Dy4Ni8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3866]
_cell_length_b [5.2541]
_cell_length_c [6.8729]
_cell... |
mp-21364 | HoCuAs2 | data_[Ho2Cu2As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8973]
_cell_length_b [3.8973]
_cell_length_c [9.8182]
_... |
mp-1283729 | NaMnO2 | data_[Na4Mn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9202]
_cell_length_b [3.2101]
_cell_length_c [21.8483]
_cell... |
mp-1225728 | ErAlCo | data_[Er8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3561]
_cell_length_b [5.3605]
_cell_length_c [9.1201]
_ce... |
mp-978273 | Mg3Cd | data_[Mg3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4554]
_cell_length_b [4.4554]
_cell_length_c [4.4554]
_cell_angle_alpha [90.0000]
_cell_... |
mp-15845 | SrLi4N2 | data_[Sr4Li16N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.8297]
_cell_length_b [3.8297]
_cell_length_c [27.0640]... |
mp-1228469 | Ba2Y2Co3CuO10 | data_[Ba4Y4Co6Cu2O20]
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
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a... |
mp-19935 | ErFeO3 | data_[Er4Fe4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6297]
_cell_length_b [7.6857]
_cell_length_c [5.2952]
_cel... |
mp-1218348 | Sr4Cu2MoWO12 | data_[Sr4Cu2Mo1W1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a... |
mp-1019087 | CaSnHg | data_[Ca2Sn2Hg2]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9276]
_cell_length_b [4.9276]
_cell_length_c [7.8941]... |
mp-1207148 | HoFe2SiC | data_[Ho4Fe8Si4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7418]
_cell_length_b [10.41... |
mp-1215533 | ZnSiNi2 | data_[Zn1Si1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7369]
_cell_length_b [2.7369]
_cell_length_c [6.2164]
_... |
mp-756553 | Li5Cu3(SbO5)2 | data_[Li5Cu3Sb2O10]
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
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 [5.2647]
_cell_length_b [5.512... |
mp-753601 | Li2MnF6 | data_[Li4Mn2F12]
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 [Pc]
_cell_length_a [5.0828]
_cell_length_b [5.2213]
_cell_length_c [9.0652]
_cell_... |
mp-997035 | CuO2F | data_[Cu4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [6.4532]
_cell_length_b [8.1948]
_cell_length_c [3.9581]
_cell... |
mp-675953 | Tl2SeO4 | data_[Tl8Se4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7126]
_cell_length_b [10.8732]
_cell_length_c [8.1473]
_ce... |
mp-1105977 | Lu2Si5Ni3 | data_[Lu8Si20Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.6404]
_cell_length_b [10.9272]
_cell_length_c [5.5784]
... |
mp-1306369 | Ca(NiO2)2 | data_[Ca4Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.7906]
_cell_length_b [5.7906]
_cell_length_c [9.8039]
... |
mp-27628 | Te3Cl2 | data_[Te12Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5525]
_cell_length_b [8.7409]
_cell_length_c [12.1605]
_cell_angle_alpha [90.0000]
_ce... |
mp-1518368 | Ba2CeHfO6 | data_[Ba8Ce4Hf4O24]
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
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6772]
_cell_length_b [8.6... |
mp-1030393 | TeMoSe | data_[Te4Mo4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4406]
_cell_length_b [3.4406]
_cell_length_c [39.0369]
_... |
mp-1221219 | Na3SrTa4O12 | data_[Na3Sr1Ta4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6122]
_cell_length_b [7.9985... |
mp-600232 | NpNiSn | data_[Np4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1865]
_cell_length_b [4.4951]
_cell_length_c [7.4208]
_ce... |
mp-1229122 | Ag2HgI4 | data_[Ag4Hg2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.6243]
_cell_length_b [6.6243]
_cell_length_c [13.1555]
_ce... |
mp-998350 | BaZrSe3 | data_[Ba1Zr1Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2874]
_cell_length_b [5.2964]
_cell_length_c [5.3095]
_cell... |
mp-1216267 | Y3(FeRu2)2 | data_[Y6Fe4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2008]
_cell_length_b [5.2416]
_cell_length_c [13.1031]
_cell... |
mp-1039659 | CeMg2 | data_[Ce4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7936]
_cell_length_b [3.1793]
_cell_length_c [7.8685]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-545548 | BaHf(PO4)2 | data_[Ba2Hf2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hf 1.3000 1.5500 0.8500
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 [8.6865]
_cell_length_b [5.3466... |
mp-1526 | TiHg | data_[Ti1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0451]
_cell_length_b [3.0451]
_cell_length_c [4.1023]
_cell_angle_alpha [90.0000]
_cell... |
mp-1112142 | Cs2NaSbBr6 | data_[Cs8Na4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5534]
_cell_length_b [... |
mp-1189356 | LuAgSe2 | data_[Lu4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.1909]
_cell_length_b [6.8153]
_cell_length_c [13.67... |
mp-1025176 | HfGa5Ni | data_[Hf1Ga5Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2079]
_cell_length_b [4.2079]
_cell_length_c [6.5017]
_... |
mp-7373 | CdAs | data_[Cd8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.1111]
_cell_length_b [7.9574]
_cell_length_c [8.1994]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23896 | LuHCl | data_[Lu6H6Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6542]
_cell_length_b [3.6542]
_cell_length_c [27.7035]
_cel... |
mp-1226418 | Cs4Ga3FeS8 | data_[Cs4Ga3Fe1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8707]
_cell_length_b [7.3303]... |
mp-1186715 | Pr2SiC(NO2)2 | data_[Pr4Si2C2N4O8]
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
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.... |
mp-673624 | MgNb2(PbO3)3 | data_[Mg1Nb2Pb3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1271]
_cell_length_b [5.7847]... |
mp-1001015 | Y2ZnS4 | data_[Y16Zn8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.0323]
_cell_length_b [11.0323]
_cell_length_c [11.0323]
_... |
mp-3602 | YAl4Ni | data_[Y4Al16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0599]
_cell_length_b [15.4418]
_cell_length_c [6.6276]
_ce... |
mp-22617 | YNiSn | data_[Y4Ni4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1678]
_cell_length_b [4.4768]
_cell_length_c [7.6992]
_cell... |
mp-86 | Sm | data_[Sm9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6608]
_cell_length_b [3.6608]
_cell_length_c [26.3921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1223628 | La(CdAs)3 | data_[La4Cd12As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [21.7164]
_cell_length_b [7.7832]
_cell_length_c [4.4878]
... |
mp-1225528 | DyThCN | data_[Dy1Th1C1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6639]
_cell_length_b [3.663... |
mp-1211692 | KCaEr2CuS5 | data_[K4Ca4Er8Cu4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a... |
mp-1112180 | K2ScInCl6 | data_[K8Sc4In4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0236]
_cell_length_b [11... |
mp-1218150 | SrNdAlO4 | data_[Sr2Nd2Al2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7707]
_cell_length_b [3.770... |
mp-9984 | SnS2 | data_[Sn2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.7008]
_cell_length_b [3.7008]
_cell_length_c [13.3282]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187612 | YbCd2In | data_[Yb4Cd8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3009]
_cell_length_b [7.3009]
_cell_length_c [7.3009]
_c... |
mp-20686 | Ho2In | data_[Ho4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3715]
_cell_length_b [5.3715]
_cell_length_c [6.6994]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078636 | Ba2ZnAs2 | data_[Ba8Zn4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9727]
_cell_length_b [13.5803]
_cell_length_c [6.6453]
_c... |
mp-1567268 | CaMn(GeO3)2 | data_[Ca4Mn4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4008]
_cell_length_b [9.2... |
mp-19014 | Sr2CdWO6 | data_[Sr4Cd2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8076]
_cell_length_b [5.95... |
mp-1226547 | CeThB8 | data_[Ce4Th4B32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.1698]
_cell_length_b [10.2549]
_cell_length_c [4.1044]
_c... |
mp-570058 | Eu(GeIr)2 | data_[Eu2Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2021]
_cell_length_b [4.2021]
_cell_length_c [10.6036]
... |
mp-865308 | Be2CuRh | data_[Be8Cu4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4933]
_cell_length_b [5.4933]
_cell_length_c [5.4933]
_c... |
mp-1209342 | Rb5Tm3Br12 | data_[Rb5Tm3Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [14.0877]
_cell_length_b [14.0877]
_cell_length_c [4.4392]... |
mp-980811 | TmMn12 | data_[Tm2Mn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2958]
_cell_length_b [8.2958]
_cell_length_c [4.6251]
_cell_angle_alpha [90.0000]
_cel... |
mp-1245509 | Mg3MoN4 | data_[Mg12Mo4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2084]
_cell_length_b [7.1719]
_cell_length_c [6.0706]
_ce... |
mp-35787 | Ca(DyS2)2 | data_[Ca4Dy8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3718]
_cell_length_b [8.3718]
_cell_length_c [8.3827]
_ce... |
mp-1247418 | Li2MnN2 | data_[Li2Mn1N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0263]
_cell_length_b [3.0263]
_cell_length_c [5.4232]
_cel... |
mp-3329 | Tb(NiGe)2 | data_[Tb2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [4.0746]
_cell_length_b [4.0746]
_cell_length_c [9.8029]
_... |
mp-1221009 | NaPr3Mn4O12 | data_[Na1Pr3Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5076]
_cell_length_b [7.7331... |
mp-1518516 | BaSrBiSbO6 | data_[Ba4Sr4Bi4Sb4O24]
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
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 [F-43m]
_cell_lengt... |
mp-998241 | MnInF3 | data_[Mn1In1F3]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3091]
_cell_length_b [4.3111]
_cell_length_c [4.3132]
_cell_a... |
mp-31179 | Ho(Al2Fe)4 | data_[Ho2Al16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6876]
_cell_length_b [8.6876]
_cell_length_c [5.0200]
... |
mp-10550 | SrMg2N2 | data_[Sr1Mg2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6436]
_cell_length_b [3.6436]
_cell_length_c [6.3998]
_cel... |
mp-865630 | Yb2AgGe | data_[Yb8Ag4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2019]
_cell_length_b [7.2019]
_cell_length_c [7.2019]
_c... |
mp-19124 | Ca3Mn2O7 | data_[Ca6Mn4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7861]
_cell_length_b [3.7861]
_cell_length_c [19.3668]
_... |
mp-1025853 | Te2Mo3(SeS)2 | data_[Te2Mo3Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3497]
_cell_length_b [3.349... |
mp-1173984 | Li3MnCoO5 | data_[Li6Mn2Co2O10]
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 [P-1]
_cell_length_a [5.0927]
_cell_length_b [5.138... |
mp-3041 | Er2CdS4 | data_[Er16Cd8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.2270]
_cell_length_b [11.2270]
_cell_length_c [11.2270]... |
mp-696878 | K3CaP2HO8 | data_[K6Ca2P4H2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.... |
mp-5414 | NaSbS2 | data_[Na4Sb4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2422]
_cell_length_b [8.3963]
_cell_length_c [6.9086]
_cell... |
mp-2339 | Ti3Pt | data_[Ti6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.0437]
_cell_length_b [5.0437]
_cell_length_c [5.0437]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30106 | AsCl5 | data_[As2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.7369]
_cell_length_b [8.0635]
_cell_length_c [6.7895]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209764 | Pr2NiPtO6 | data_[Pr4Ni2Pt2O12]
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
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5160]
_cell_length_b [5.... |
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