Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-9386 | CsAu3Se2 | data_[Cs1Au3Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4675]
_cell_length_b [6.4675]
_cell_length_c [5.7438]
_c... |
mp-626012 | Te(HO)6 | data_[Te1H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4548]
_cell_length_b [5.5298]
_cell_length_c [5.7266]
_cell_ang... |
mp-1069139 | SrSi3Ni | data_[Sr2Si6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1840]
_cell_length_b [4.1840]
_cell_length_c [9.9677]
_ce... |
mp-752467 | NbO2F | data_[Nb4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3175]
_cell_length_b [5.5548]
_cell_length_c [5.6685]
_cell_ang... |
mp-1222919 | LaCuGe | data_[La1Cu1Ge1]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2692]
_cell_length_b [4.2692]
_cell_length_c [4.2160]
_c... |
mp-754797 | CrPHO5 | data_[Cr2P2H2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
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 [P-1]
_cell_length_a [5.2062]
_cell_length_b [5.2126]
_... |
mvc-1832 | YCu7O12 | data_[Y2Cu14O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.3137]
_cell_length_b [7.3137]
_cell_length_c [7.3137]
_cell... |
mp-972572 | Sm2PdRh | data_[Sm8Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0952]
_cell_length_b [7.0952]
_cell_length_c [7.0952]
_c... |
mp-867224 | CaNdCd2 | data_[Ca4Nd4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7021]
_cell_length_b [7.7021]
_cell_length_c [7.7021]
_c... |
mp-1101118 | Ti(CrTe2)2 | data_[Ti2Cr4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0676]
_cell_length_b [3.9961]
_cell_length_c [6.8396]
_cel... |
mp-1025927 | 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 [3.3494]
_cell_length_b [3.349... |
mp-30669 | ThGa | data_[Th8Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.4623]
_cell_length_b [4.1343]
_cell_length_c [6.0717]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183940 | Cs3K | data_[Cs6K2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.6526]
_cell_length_b [10.6526]
_cell_length_c [8.5275]
_cell_angle_alpha [90.0000]
_ce... |
mp-1185092 | LaZn2Ag | data_[La4Zn8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9779]
_cell_length_b [6.9779]
_cell_length_c [6.9779]
_c... |
mp-636320 | TiGaFe2 | data_[Ti4Ga4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8016]
_cell_length_b [5.8016]
_cell_length_c [5.8016]
_c... |
mp-1226520 | CeTh2S3 | data_[Ce1Th2S3]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0799]
_cell_length_b [4.0799]
_cell_length_c [9.7137]
_cel... |
mp-22619 | NiP2 | data_[Ni4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [5.4528]
_cell_length_b [5.4528]
_cell_length_c [5.4528]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1214475 | Ba3Ta2ZnO9 | data_[Ba3Ta2Zn1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8522]
_cell_length_b [5.85... |
mp-1184399 | Gd2MgRu | data_[Gd8Mg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1912]
_cell_length_b [7.1912]
_cell_length_c [7.1912]
_c... |
mp-754031 | YBrO | data_[Y6Br6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8663]
_cell_length_b [3.8663]
_cell_length_c [30.3087]
_cell_... |
mp-985825 | Al3Cu | data_[Al3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8262]
_cell_length_b [2.8262]
_cell_length_c [7.4680]
_cell_angle_alpha [90.0000]
_cell... |
mp-15777 | Zn(GaTe2)2 | data_[Zn2Ga4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.0730]
_cell_length_b [6.0730]
_cell_length_c [12.0248]
_ce... |
mp-1216033 | YAlFe | data_[Y8Al8Fe8]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5901]
_cell_length_b [5.3950]
_cell_length_c [9.3709]
_cell... |
mp-1207417 | Zr5CrSb2 | data_[Zr20Cr4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.1578]
_cell_length_b [11.1578]
_cell_length_c [5.5731... |
mp-1215613 | Yb7MgPt4 | data_[Yb7Mg1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.5002]
_cell_length_b [4.3386]
_cell_length_c [8.8375]
_cell... |
mp-550805 | LuBi2ClO4 | data_[Lu1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8572]
_cell_length_b [3.8... |
mp-1222884 | LaAlSi | data_[La4Al4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.3248]
_cell_length_b [4.3248]
_cell_length_c [14.7448]
... |
mp-861914 | Ba3Co(CN)3 | data_[Ba6Co2C6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.1200]
_cell_length_b [9.120... |
mp-1229006 | AgSnTe2 | data_[Ag1Sn1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3444]
_cell_length_b [4.3444]
_cell_length_c [6.0746]
_... |
mp-999052 | Ti2MnAl | data_[Ti8Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2476]
_cell_length_b [6.2476]
_cell_length_c [6.2476]
_c... |
mp-974435 | Re3N | data_[Re3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8374]
_cell_length_b [2.8374]
_cell_length_c [7.1969]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-977189 | Na3Bi | data_[Na12Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7051]
_cell_length_b [7.7051]
_cell_length_c [7.7051]
_cell_angle_alpha [90.0000]
_cell... |
mp-865361 | Tm2MgOs | data_[Tm8Mg4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9820]
_cell_length_b [6.9820]
_cell_length_c [6.9820]
_c... |
mp-1178039 | Li2CeO3 | data_[Li8Ce4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.7326]
_cell_length_b [9.5394]
_cell_length_c [5.9495]
_cel... |
mp-12509 | YZnPO | data_[Y6Zn6P6O6]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9076]
_cell_length_b [3.9076]
_... |
mp-568273 | LiI | data_[Li2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2451]
_cell_length_b [4.2451]
_cell_length_c [6.9786]
_cell_angle_alpha [90.0000]
_cell... |
mp-505131 | LiVCuO4 | data_[Li4V4Cu4O16]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7153]
_cell_length_b [5.8164... |
mp-752835 | Li2Cu2F5 | data_[Li4Cu4F10]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0063]
_cell_length_b [6.9359]
_cell_length_c [10.1498]
_cel... |
mp-1296711 | LaCoO3 | data_[La6Co6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5552]
_cell_length_b [5.5552]
_cell_length_c [13.2646]
_cel... |
mp-865097 | NaHgPd2 | data_[Na4Hg4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6037]
_cell_length_b [6.6037]
_cell_length_c [6.6037]
_c... |
mp-1216446 | V9Te8 | data_[V9Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1013]
_cell_length_b [7.2102]
_cell_length_c [7.7288]
_cell_angle_alpha [74.3854]
_cell_angle... |
mp-1183299 | BaHg2Bi | data_[Ba4Hg8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0497]
_cell_length_b [8.0497]
_cell_length_c [8.0497]
_c... |
mp-540609 | CsMnI3 | data_[Cs2Mn2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.3587]
_cell_length_b [8.3587]
_cell_length_c [7.0128]
_... |
mp-1003316 | KMn4O8 | data_[K2Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9652]
_cell_length_b [9.9652]
_cell_length_c [2.9991]
_cell_... |
mp-697133 | Cs2CaH4 | data_[Cs4Ca2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6243]
_cell_length_b [4.6243]
_cell_length_c [15.5775]
_c... |
mp-1218135 | SrNdGaCuO5 | data_[Sr4Nd4Ga4Cu4O20]
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
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 [Cm]
_cell_length_a... |
mp-1220694 | Nb2VFeSe10 | data_[Nb2V1Fe1Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.3633]
_cell_length_b [3.4947... |
mp-1176614 | LiMnP | data_[Li2Mn2P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6332]
_cell_length_b [3.6332]
_cell_length_c [6.1529]
_ce... |
mp-1206398 | Er2CoGe6 | data_[Er4Co2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0479]
_cell_length_b [3.9834]
_cell_length_c [21.4095]
_... |
mp-1178903 | VF3 | data_[V4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9884]
_cell_length_b [5.2012]
_cell_length_c [5.4995]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1102083 | BaMgF4 | data_[Ba4Mg4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2110]
_cell_length_b [14.4380]
_cell_length_c [5.8413]
_ce... |
mp-1184548 | HPd | data_[H2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.9681]
_cell_length_b [2.9681]
_cell_length_c [5.0408]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-999508 | MnSiNi2 | data_[Mn4Si4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6852]
_cell_length_b [5.6852]
_cell_length_c [5.6852]
_c... |
mp-7972 | RbLaO2 | data_[Rb3La3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7570]
_cell_length_b [3.7570]
_cell_length_c [19.7964]
_cel... |
mp-1216931 | TiCu3O4 | data_[Ti1Cu3O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4901]
_cell_length_b [2.9979]
_cell_length_c [5.9736]
_cell... |
mp-756063 | RbNbO3 | data_[Rb8Nb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7809]
_cell_length_b [8.6429]
_cell_length_c [8.3320]
_cel... |
mp-864792 | Nd3(CuSn)4 | data_[Nd6Cu8Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5825]
_cell_length_b [7.0203]
_cell_length_c [15.0901]
_c... |
mp-28376 | CuAuF5 | data_[Cu1Au1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7888]
_cell_length_b [5.1438]
_cell_length_c [5.5454]
_cell_... |
mp-861481 | Pr2AgRu | data_[Pr8Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3011]
_cell_length_b [7.3011]
_cell_length_c [7.3011]
_c... |
mp-1517324 | Ba2CeVO6 | data_[Ba8Ce4V4O24]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4468]
_cell_length_b [8.446... |
mp-1111027 | Na2LiTlF6 | data_[Na8Li4Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3515]
_cell_length_b [8.3... |
mp-867826 | DyMgHg2 | data_[Dy4Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [7.1888]
_cell_length_b [7.1888]
_cell_length_c [7.1888]
_c... |
mp-1025941 | Mo2W(SeS2)2 | data_[Mo2W1Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2310]
_cell_length_b [3.2310]... |
mp-22334 | FeGeO3 | data_[Fe8Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
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 [9.9303]
_cell_length_b [9.2717]
_cell_length_c [5.2823]
_cel... |
mp-1209483 | Rb2LaNb2ClO7 | data_[Rb2La1Nb2Cl1O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1018708 | GdTlZn | data_[Gd2Tl2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7640]
_cell_length_b [4.7640]
_cell_length_c [7.3640]... |
mp-15839 | NdSbPt | data_[Nd2Sb2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5889]
_cell_length_b [4.5889]
_cell_length_c [8.0756]
_... |
mp-574472 | CsCeHgSe3 | data_[Cs4Ce4Hg4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4658]
_cell_length_b [16... |
mp-1223372 | KOsNO3 | data_[K2Os2N2O6]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8110]
_cell_length_b [5.8119]
_ce... |
mp-29981 | Nb7(BC)4 | data_[Nb14B8C8]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1566]
_cell_length_b [3.2386]
_cell_length_c [32.5979]
_cell... |
mp-978282 | Mg3Hg | data_[Mg3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4106]
_cell_length_b [4.4106]
_cell_length_c [4.4106]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1209895 | NdZrF7 | data_[Nd2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.3190]
_cell_length_b [5.8690]
_cell_length_c [8.5214]
_cel... |
mp-1185182 | LaEuCd2 | data_[La4Eu4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9558]
_cell_length_b [7.9558]
_cell_length_c [7.9558]
_c... |
mp-1297083 | CoO2 | data_[Co4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.0208]
_cell_length_b [2.9443]
_cell_length_c [14.0780]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-8372 | CaSi2 | data_[Ca1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8878]
_cell_length_b [3.8878]
_cell_length_c [4.9460]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1205325 | KNa2AlH6 | data_[K2Na4Al2H12]
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
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.5845]
_cell_length_b [5.6634... |
mp-1179714 | RbMnCu3Se4 | data_[Rb1Mn1Cu3Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.1409]
_cell_length_b [6.... |
mp-1219031 | SmGa3Ni | data_[Sm2Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2437]
_cell_length_b [4.2437]
_cell_length_c [10.2025]
_c... |
mp-1186286 | Nd3Tm | data_[Nd6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3241]
_cell_length_b [7.3241]
_cell_length_c [5.9501]
_cell_angle_alpha [90.0000]
_ce... |
mp-862849 | Ac2NiIr | data_[Ac8Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3918]
_cell_length_b [7.3918]
_cell_length_c [7.3918]
_c... |
mp-554270 | TmMnO3 | data_[Tm4Mn4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8124]
_cell_length_b [7.4539]
_cell_length_c [5.2708]
_cel... |
mp-975608 | Li2TlPt | data_[Li8Tl4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3486]
_cell_length_b [6.3486]
_cell_length_c [6.3486]
_c... |
mp-1218614 | Sr4Li(RuO4)3 | data_[Sr4Li1Ru3O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5524]
_cell_length_b [5.611... |
mp-1183046 | ZrTi3 | data_[Zr2Ti6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0667]
_cell_length_b [6.0667]
_cell_length_c [4.7631]
_cell_angle_alpha [90.0000]
_ce... |
mp-619 | UB4 | data_[U4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0241]
_cell_length_b [7.0241]
_cell_length_c [3.9500]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1066274 | PtPb | data_[Pt2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3877]
_cell_length_b [4.3877]
_cell_length_c [5.5793]
_cell_angle_alpha [90.0000]
_ce... |
mp-570042 | PrAlPt | data_[Pr4Al4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2251]
_cell_length_b [4.5207]
_cell_length_c [7.9011]
_ce... |
mp-1209536 | Rb3AsF6 | data_[Rb6As2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9258]
_cell_length_b [11.1040]
_cell_length_c [7.1299]
_ce... |
mp-864976 | Mg2AgIr | data_[Mg8Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4216]
_cell_length_b [6.4216]
_cell_length_c [6.4216]
_c... |
mp-1184798 | InPb | data_[In2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9521]
_cell_length_b [3.4252]
_cell_length_c [5.9542]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-555096 | PrS2 | data_[Pr4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1918]
_cell_length_b [4.0858]
_cell_length_c [8.1217]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104013 | Dy3Ga9Pd2 | data_[Dy6Ga18Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3099]
_cell_length_b [9.4983]
_cell_length_c [12.6244]
_... |
mp-1216328 | UAl7Fe5 | data_[U2Al14Fe10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9395]
_cell_length_b [8.6274]
_cell_length_c [8.5927]
_ce... |
mp-1289657 | Mn3ReO6 | data_[Mn6Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.3469]
_cell_length_b [5.4565]
_cell_length_c [7.8621]
_cel... |
mp-1216955 | U4SiNi7 | data_[U4Si1Ni7]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0746]
_cell_length_b [5.0746]
_cell_length_c [7.8548]
_cel... |
mp-13567 | CeS2 | data_[Ce4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0462]
_cell_length_b [4.0368]
_cell_length_c [8.0099]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-5553 | Nd(CoB)2 | data_[Nd2Co4B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5842]
_cell_length_b [3.5842]
_cell_length_c [9.9630]
_ce... |
mp-97 | Pr | data_[Pr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2685]
_cell_length_b [5.2685]
_cell_length_c [5.2685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1225498 | ErCoC | data_[Er1Co1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5156]
_cell_length_b [3.5156]
_cell_length_c [3.6075]
_ce... |
mp-5646 | NdSnAu | data_[Nd2Sn2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.7913]
_cell_length_b [4.7913]
_cell_length_c [7.6862]
_... |
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