mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3 values | is_li_containing bool 2 classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2 classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4 values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_490637 | [
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tar:NOMAD_u7nOm7ruyZygVr-kHn_R1ksFVAgS | [
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} | 225 | Ce2InRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_--o1psIZbjtKb8H1E1tz3xBpaRgi | [
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} | 225 | YbCe2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490681 | [
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} | 225 | BaLaCe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490694 | [
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} | 225 | Ce2TaB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_A9amoJkhPhxZs9mS_GoycD3EpLsD | [
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"alpha": 90,
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} | 225 | YbCe2Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WyWgzyOd_MH5kpX7Xw9tVWj-B1h5 | [
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} | 225 | Ce2BRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1ILaXkmD0EOE17rmomSebpqH5KCl | [
"Ce",
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"Bi"
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"alpha": 90,
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} | 225 | Ce2DyBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490762 | [
"Mo",
"Cd",
"Ce"
] | [
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48,
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"alpha": 90,
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} | 225 | Ce2CdMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WRYga90plWLfiO-YxYMPUdGjU67U | [
"Sb",
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"W"
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"alpha": 90,
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} | 225 | Ce2SbW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VRd-WxxkoAWGiNZ2zSjU2InSge9i | [
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} | 225 | Ce2TcPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490800 | [
"Ce",
"Tl",
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] | [
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"alpha": 90,
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} | 225 | Ce2TlBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490823 | [
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} | 225 | CaCe2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_k5wnBiXQ5reP8mapswxm_bIRAsLr | [
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} | 225 | YbCe2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PTbJ1eL5pa1Au6wEMp0aSDykTNZf | [
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tar:OQMD_490859 | [
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tar:NOMAD_6O-nZjD1RZErXuToBAVkDIygKtBA | [
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tar:OQMD_490896 | [
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tar:OQMD_490912 | [
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tar:NOMAD_APdqatvuMGPqF8w1XRxZiXq0o2D3 | [
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tar:NOMAD_o1XGWQ_mgyAYukYxoJT_gGkCsRzD | [
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tar:OQMD_490959 | [
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tar:OQMD_490972 | [
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} | 225 | Ce2VOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_490987 | [
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tar:OQMD_490998 | [
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} | 225 | Ce2SmRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_491008 | [
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tar:NOMAD_6ubRtxx7HPBRLZil2URGRQY89X-s | [
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tar:OQMD_491038 | [
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tar:NOMAD_flzsaakLDtehQB7uB7cGDLQbTo0B | [
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tar:OQMD_491178 | [
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tar:OQMD_491193 | [
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tar:NOMAD_cycd9cHhjTfqL65kFr07rl3zfpzg | [
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tar:OQMD_491585 | [
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tar:NOMAD_eJOSI_N1XgMH9zSegAsAke36yrCU | [
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tar:NOMAD_gznGtYGKmcpnwsWZi0rY3GR5qjK7 | [
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tar:OQMD_491653 | [
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tar:NOMAD_aFvrbtwv-ArMvhk1h9Q3g-uRtB-K | [
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tar:OQMD_491690 | [
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tar:NOMAD_Mqb6kNhOuxbsO3GlM6DmD72fy3Xd | [
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tar:OQMD_491723 | [
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"alpha": 90,
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} | 225 | Ce2HoPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_tYh8T0b_a7g_cXG72Z7deogSWYFD | [
"Ce",
"Sm",
"Dy"
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58,
58,
58,
58,
58,
58,
58,
62,
62,
62,
62,
66,
66,
66,
66
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Ce2SmDy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9Vo-IPEMtLU-9xK4jMcCFUqImwQC | [
"In",
"Ce",
"Pu"
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58,
58,
58,
58,
58,
58,
58,
94,
94,
94,
94,
49,
49,
49,
49
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ce2PuIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_491992 | [
"Na",
"Nb",
"Sn"
] | [
11,
11,
11,
11,
41,
41,
41,
41,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
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[
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] | {
"a": 7.0921478271484375,
"b": 7.0921478271484375,
"c": 7.0921478271484375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaNbSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ytCvHP7KoJ8TUkYiDeY4vF7Fp2w6 | [
"In",
"Sn",
"Sm"
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62,
62,
62,
49,
49,
49,
49,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
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0,
0,
0
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[
0,
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0.5
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[
0.5,
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[
0.75,
0.75,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SmInSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492024 | [
"Zn",
"Sn",
"Sb"
] | [
30,
30,
30,
30,
50,
50,
50,
50,
50,
50,
50,
50,
51,
51,
51,
51
] | 16 | 3 | [
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0,
0,
0
],
[
0,
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[
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] | {
"a": 7.384647846221924,
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"c": 7.384647846221924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZnSn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492038 | [
"Si",
"Tc",
"Sn"
] | [
14,
14,
14,
14,
43,
43,
43,
43,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
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[
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[
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] | {
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"alpha": 90,
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} | 225 | SiTcSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492056 | [
"Pd",
"In",
"Sn"
] | [
49,
49,
49,
49,
50,
50,
50,
50,
50,
50,
50,
50,
46,
46,
46,
46
] | 16 | 3 | [
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[
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] | {
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"c": 7.082106113433838,
"alpha": 90,
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"gamma": 90
} | 225 | InSn2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492071 | [
"Ge",
"Sn",
"Th"
] | [
90,
90,
90,
90,
50,
50,
50,
50,
50,
50,
50,
50,
32,
32,
32,
32
] | 16 | 3 | [
[
0,
0,
0
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[
0.5,
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[
0,
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[
0.5,
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[
0.5,
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] | {
"a": 7.558502197265625,
"b": 7.558502197265625,
"c": 7.558502197265625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThSn2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_TNGZ8N-OmfnJF8yVb27rWdG20DC9 | [
"Sn",
"Pb",
"Ac"
] | [
89,
89,
89,
89,
50,
50,
50,
50,
50,
50,
50,
50,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
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],
[
0.5,
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0.5
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[
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[
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[
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[
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] | {
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"b": 7.830153942108154,
"c": 7.830153942108154,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcSn2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492102 | [
"Mg",
"Sn",
"Pb"
] | [
12,
12,
12,
12,
50,
50,
50,
50,
50,
50,
50,
50,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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[
0.5,
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0.5
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[
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[
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[
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[
0.5,
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],
[
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]
] | {
"a": 7.423302173614502,
"b": 7.423302173614502,
"c": 7.423302173614502,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgSn2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492116 | [
"Sn",
"Ho",
"Tm"
] | [
67,
67,
67,
67,
69,
69,
69,
69,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
[
0,
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[
0.5,
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0.5
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[
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[
0.25,
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | HoTmSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_e-bHF6XjCdEq5jGUPseyAbDi5Le_ | [
"Sn",
"La",
"Th"
] | [
57,
57,
57,
57,
90,
90,
90,
90,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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[
0.5,
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0.5
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[
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[
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0
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[
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[
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 7.807127475738525,
"b": 7.807127475738525,
"c": 7.807127475738525,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaThSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_492147 | [
"In",
"Sn",
"Pr"
] | [
59,
59,
59,
59,
49,
49,
49,
49,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
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],
[
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],
[
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],
[
0.25,
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[
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[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.564208030700684,
"b": 7.564208030700684,
"c": 7.564208030700684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrInSn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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