Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-6747180 | CuGa2NaS4 | data_[Na2Ga4Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6729]
_cell_length_b [5.6729... |
agm001977629 | Ce2LuPr | data_[Ce6Pr3Lu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3825]
_cell_length_b [3.3825]
_cell_length_c [36.8959]
_c... |
agm005086873 | AgF6LiPa | data_[Li2Pa2Ag2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.7430]
_cell_length_b [5.7... |
agm002897767 | IrSrTi2 | data_[Sr4Ti8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.8835]
_cell_length_b [4.8835]
_cell_length_c [17.7918... |
agm003688705 | CeF12Na6 | data_[Na18Ce3F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3173]
_cell_length_b [10.3173]
_cell_length_c [9.4349]
_c... |
agm002976719 | Fe2HfSn2 | data_[Hf2Fe4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2189]
_cell_length_b [7.2189]
_cell_length_c [3.2460]
_... |
agm004287421 | HgRh2Sr | data_[Sr2Hg2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4702]
_cell_length_b [3.3968]
_cell_length_c [11.0523]
_c... |
agm004351362 | Br2OsTl | data_[Tl1Os1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4497]
_cell_length_b [5.4497]
_cell_length_c [3.3951]
_... |
agm005634445 | La2NdPm6 | data_[La2Pm6Nd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [10.0909]
_cell_length_b [10.0909]
_cell_length_c [3.5849]... |
agm001428814 | AlInRh2Sc | data_[Sc1Al1In1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8803]
_cell_length_b [4... |
agm002838286 | B2HK | data_[K8B16H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.1887]
_cell_length_b [7.1887]
_cell_length_c [7.1887]
_cell_a... |
oqmd-6589202 | Au3KTe4V | data_[K1V1Te4Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.7191]
_cell_length_b [6.7191... |
agm004103413 | MgRh2Zr | data_[Mg4Zr4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4655]
_cell_length_b [6.4655]
_cell_length_c [6.4655]
_c... |
agm004593219 | Ni7Pd2Sb2V | data_[V2Ni14Sb4Pd4]
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
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4815]
_cell_length_b [3.... |
oqmd-6484396 | EuP2RhRu | data_[Eu2P4Ru2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0387]
_cell_length_b [4.03... |
agm001013473 | DySiTm | data_[Dy16Tm16Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.9401]
_cell_length_b [11.4640]
_cell_length_c [13.3247... |
agm002422827 | BePd3Sn | data_[Be1Sn1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2934]
_cell_length_b [4.2934]
_cell_length_c [4.2934]
_c... |
oqmd-6452273 | CuLaMn6 | data_[La3Mn18Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4886]
_cell_length_b [7.4886]
_cell_length_c [6.7468]
_ce... |
agm003380690 | Ag4Er3Zn4 | data_[Er6Zn8Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4350]
_cell_length_b [4.5789]
_cell_length_c [28.0880]
_c... |
oqmd-7363900 | BLuTm | data_[Tm4Lu4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2760]
_cell_length_b [6.2760]
_cell_length_c [6.2760]
_cel... |
agm001320390 | KPbTlY | data_[K4Y4Tl4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9455]
_cell_length_b [7.9455... |
agm003343929 | Pm3Sm2Y5 | data_[Pm12Sm8Y20]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.4135]
_cell_length_b [13.7522]
_cell_length_c [11.0708]
_... |
agm005468105 | MoZn2 | data_[Zn4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4553]
_cell_length_b [4.4553]
_cell_length_c [5.2195]
_cell_angle_alpha [90.0000]
_ce... |
agm003997112 | CoSbZn | data_[Zn1Co1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1780]
_cell_length_b [3.1780]
_cell_length_c [6.1000]
_ce... |
agm005049957 | KNiO4P | data_[K4Ni4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9385]
_cell_length_b [7.9385]... |
agm002354517 | GaOsSc | data_[Sc4Ga4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9095]
_cell_length_b [4.4905]
_cell_length_c [5.1179]
_ce... |
agm004553543 | Bi2Dy2Li2Sm | data_[Li6Sm3Dy6Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8900]
_cell_length_b [4.8... |
agm001143794 | Ir2PaPu | data_[Pu1Pa1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4790]
_cell_length_b [3.4790]
_cell_length_c [6.9259]
_... |
agm001509743 | NbOsSi2Zn | data_[Nb1Zn1Si2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5485]
_cell_length_b [4... |
agm005930161 | GaNiSc4 | data_[Sc8Ga2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8386]
_cell_length_b [6.3152]
_cell_length_c [7.9093]
_... |
oqmd-5004317 | NbScSm | data_[Sm4Sc4Nb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9619]
_cell_length_b [6.9619]
_cell_length_c [6.9619]
_c... |
agm005041317 | DyN3TbTm | data_[Tb2Dy2Tm2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9464]
_cell_length_b [3.4... |
agm005561077 | Cd2Dy3Ho2 | data_[Dy6Ho4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0618]
_cell_length_b [22.6516]
_cell_length_c [3.4565]
_c... |
agm004028400 | Cr2ReSe | data_[Cr6Re3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8339]
_cell_length_b [2.8339]
_cell_length_c [24.5739]
_ce... |
agm001083948 | Gd2La4O | data_[La8Gd4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0642]
_cell_length_b [5.0642]
_cell_length_c [17.6051]
_c... |
agm003366717 | Cd5Cu2La4 | data_[La4Cd5Cu2]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8094]
_cell_length_b [3.9027]
_cell_length_c [9.8400]
_ce... |
agm005942798 | CeNb2O5 | data_[Ce4Nb8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1721]
_cell_length_b [9.8250]
_cell_length_c [9.9443]
_cel... |
agm005457680 | Te4TlW | data_[Tl4Te16W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0298]
_cell_length_b [9.0298]
_cell_length_c [9.0298]
_ce... |
oqmd-9987759 | NPt8Sm2 | data_[Sm4Pt16N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3819]
_cell_length_b [16.3530]
_cell_length_c [5.4425]
_ce... |
oqmd-9457673 | Pu5SbTe4 | data_[Pu10Sb2Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9281]
_cell_length_b [9.9281]
_cell_length_c [6.2733]
_c... |
agm002681715 | As2HNb | data_[Nb4As8H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2994]
_cell_length_b [6.2994]
_cell_length_c [6.2994]
_cel... |
agm002711254 | Na2VZr | data_[Na8Zr4V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2025]
_cell_length_b [7.2025]
_cell_length_c [7.2025]
_cel... |
agm002635371 | AlNiRe2 | data_[Al4Re8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0146]
_cell_length_b [6.0146]
_cell_length_c [6.0146]
_c... |
agm004390089 | TaTcTe2 | data_[Ta3Tc3Te6]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3055]
_cell_length_b [3.3055]
_cell_length_c [30.8234]
_ce... |
agm004562254 | ErHo4Tb2Tm2 | data_[Tb4Ho8Er2Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4390]
_cell_length_b [3.... |
agm005929095 | Hg2Pb4Sb | data_[Hg4Sb2Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4803]
_cell_length_b [10.7831]
_cell_length_c [4.3132]
_c... |
agm005134048 | B2GaPr2Ru5 | data_[Pr4Ga2B4Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7630]
_cell_length_b [9.... |
agm003577797 | MoS6Ti3 | data_[Ti6Mo2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1015]
_cell_length_b [3.3507]
_cell_length_c [11.5856]
... |
agm004966146 | MnPa2RhSi6 | data_[Pa12Mn6Si36Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7986]
_cell_length_b [5... |
agm004318232 | LaMn2Rh | data_[La1Mn2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7856]
_cell_length_b [3.9140]
_cell_length_c [6.2831]
_ce... |
agm005427861 | Ag5Be | data_[Be2Ag10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7071]
_cell_length_b [2.8822]
_cell_length_c [14.6656]
_cell_angle_alpha [90.0000]
_cell... |
agm003800382 | ClSeTc2 | data_[Tc2Se1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9410]
_cell_length_b [4.0850]
_cell_length_c [5.5819]
_ce... |
mp-758477 | Cu3Mn3O16Te2 | data_[Mn6Cu6Te4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3651]
_cell_length_b [5.848... |
agm005079441 | IrO6VZn | data_[V2Zn2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.0409]
_cell_length_b [5.040... |
agm004683534 | Ac3InNa3O8 | data_[Na9Ac9In3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4140]
_cell_length_b [7.41... |
agm001969698 | PmRhTb2 | data_[Tb6Pm3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6944]
_cell_length_b [3.6944]
_cell_length_c [31.7590]
_c... |
agm001946661 | BiHPm2 | data_[Pm6Bi3H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2330]
_cell_length_b [4.2330]
_cell_length_c [20.0021]
_cel... |
agm005501010 | As2C | data_[As6C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.6792]
_cell_length_b [5.6792]
_cell_length_c [5.7726]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003599889 | AcFSn | data_[Ac6Sn6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9059]
_cell_length_b [4.9059]
_cell_length_c [24.1984]
_cel... |
agm001432153 | BCdGaH2 | data_[Cd1Ga1B1H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6412]
_cell_length_b [3.641... |
agm001418770 | AsIInTa2 | data_[Ta2In1As1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3629]
_cell_length_b [5.3... |
agm004181601 | Ag2BrTl | data_[Tl2Ag4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0108]
_cell_length_b [3.6866]
_cell_length_c [7.3666]
_c... |
agm001348807 | AgEuGaTh | data_[Eu4Th4Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4784]
_cell_length_b [7.... |
agm005118608 | AlInZn2 | data_[Al3Zn6In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3497]
_cell_length_b [4.3497]
_cell_length_c [14.7484]
_ce... |
agm003989730 | CuIr2Ru | data_[Cu2Ir4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8073]
_cell_length_b [4.4833]
_cell_length_c [8.8603]
_ce... |
agm003610067 | DyPmSn | data_[Pm4Dy4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4984]
_cell_length_b [4.8869]
_cell_length_c [8.4780]
_ce... |
agm002176265 | ClOTi | data_[Ti2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.4648]
_cell_length_b [3.4648]
_cell_length_c [8.4684]
_ce... |
agm2000051853 | As2Be2Hg | data_[Be4Hg2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.0105]
_cell_length_b [2.9453]
_cell_length_c [7.2325]
_c... |
agm005145822 | DyO5PdSr2 | data_[Sr4Dy2Pd2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.5005]
_cell_length_b [6.... |
agm2000031026 | Br2Co | data_[Co4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [18.4941]
_cell_length_b [7.4963]
_cell_length_c [13.3781]
_cell_angle_alpha [90.0000]
_cell... |
mp-2230544 | MgNb4Ni2O12 | data_[Mg1Nb4Ni2O12]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [4.9431]
_cell_length_b [4.943... |
agm003885432 | Hg2SeY | data_[Y2Hg4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7282]
_cell_length_b [4.0378]
_cell_length_c [5.9347]
_cell_a... |
agm002991263 | LiPt2Tl2 | data_[Li2Tl4Pt4]
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 [P4/mbm]
_cell_length_a [7.7686]
_cell_length_b [7.7686]
_cell_length_c [3.3377]
_... |
agm004464320 | HfMg | data_[Hf6Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1139]
_cell_length_b [15.4839]
_cell_length_c [5.3939]
_cell_angle_alpha [90.0000]
_cell_... |
agm001697600 | F2NSiZn | data_[Zn1Si1N1F2]
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
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1266]
_cell_length_b [4.126... |
agm004537821 | As4CoRh3Sm2 | data_[Sm2Co1As4Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2554]
_cell_length_b [4.... |
agm001108987 | CeOZr3 | data_[Ce1Zr3O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6302]
_cell_length_b [4.6302]
_cell_length_c [4.6302]
_cel... |
mp-755904 | F4LiV | data_[Li4V4F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.6141]
_cell_length_b [11.8766]
_cell_length_c [5.1854]
_cell... |
agm001081552 | CDy4Ni2 | data_[Dy8Ni4C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7499]
_cell_length_b [4.7499]
_cell_length_c [14.3430]
_c... |
oqmd-2584159 | CrInTaZr | data_[Zr4Ta4Cr4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6839]
_cell_length_b [6.... |
agm003860591 | AlOs2Sc | data_[Sc3Al3Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9252]
_cell_length_b [2.9252]
_cell_length_c [25.1986]
_c... |
agm005192545 | BaLiRhZn | data_[Ba3Li3Zn3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4464]
_cell_length_b [4.44... |
agm001188166 | AuTbZn4 | data_[Tb4Zn16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5055]
_cell_length_b [7.5055]
_cell_length_c [7.5055]
_... |
oqmd-9652952 | CoLaSb2 | data_[La2Co2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4073]
_cell_length_b [4.4073]
_cell_length_c [10.0274]
... |
agm004804117 | Al2Au4KMg | data_[K3Mg3Al6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4594]
_cell_length_b [4.45... |
oqmd-8936673 | AsCdN2Zr4 | data_[Zr4Cd1As1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3749]
_cell_length_b [3.37... |
agm003149512 | Bi2Te3 | data_[Bi6Te9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6203]
_cell_length_b [6.6203]
_cell_length_c [12.7759]
_cell_angle_alpha [90.0000]
_cell_... |
agm004945267 | As2O6RbSr | data_[Rb4Sr4As8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9082]
_cell_length_b [10.... |
mp-1198217 | C4H24N12O15Se5Zn3 | data_[Zn12H96C16Se20N48O60]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_gro... |
agm002420874 | AgBe3Ti | data_[Ti1Be3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4711]
_cell_length_b [4.4711]
_cell_length_c [4.4711]
_c... |
agm005165736 | Nd5PrTbTm2 | data_[Tb4Pr4Nd20Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6729]
_cell_length_b [... |
agm004147422 | LaPtW2 | data_[La2Pt2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8162]
_cell_length_b [2.8549]
_cell_length_c [6.4864]
_cell_a... |
agm004131340 | MnOsTe2 | data_[Mn4Te8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8706]
_cell_length_b [6.8706]
_cell_length_c [6.8706]
_c... |
agm006183751 | AsCu4 | data_[Cu4As1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4647]
_cell_length_b [4.4647]
_cell_length_c [4.4647]
_cell_angle_alpha [90.0000]
_cell_... |
agm003089071 | AlLiTi | data_[Li4Ti4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.7958]
_cell_length_b [15.2128]
_cell_length_c [4.6260]
_c... |
agm001296056 | CdPtThY | data_[Y4Th4Cd4Pt4]
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
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3557]
_cell_length_b [7.35... |
agm005056550 | BiCDy4Ge | data_[Dy16Ge4Bi4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7611]
_cell_length_b [15.5... |
agm2000061582 | AgAsCo | data_[Co2Ag2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [2.8104]
_cell_length_b [4.6285]
_cell_length_c [20.7146]
_c... |
agm001438640 | Au2BiCrZn | data_[Zn1Cr1Bi1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8453]
_cell_length_b [4... |
agm003782488 | Li2MnNi | data_[Li4Mn2Ni2]
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 0.6483
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9624]
_cell_length_b [9.0390]
_cell_length_c [2.6238]
_ce... |
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