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_365878 | [
"Na",
"Sr",
"Ta"
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11,
11,
11,
11,
11,
11,
11,
38,
38,
38,
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73,
73,
73,
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] | {
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"b": 7.760940074920654,
"c": 7.760940074920654,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2SrTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365891 | [
"Na",
"Sn",
"Cs"
] | [
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55,
55,
55,
11,
11,
11,
11,
11,
11,
11,
11,
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50,
50,
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] | 16 | 3 | [
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] | {
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"c": 8.231526374816895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsNa2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365907 | [
"Na",
"Cs",
"Au"
] | [
55,
55,
55,
55,
11,
11,
11,
11,
11,
11,
11,
11,
79,
79,
79,
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] | 16 | 3 | [
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] | {
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"c": 8.060037612915039,
"alpha": 90,
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"gamma": 90
} | 225 | CsNa2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365926 | [
"Na",
"Al",
"Fe"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
13,
13,
13,
13,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"b": 6.8884501457214355,
"c": 6.8884501457214355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2AlFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365939 | [
"Na",
"Ge",
"Pm"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
61,
61,
61,
61,
32,
32,
32,
32
] | 16 | 3 | [
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] | {
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"b": 7.269224166870117,
"c": 7.269224166870117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2PmGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365954 | [
"Na",
"Sr",
"Sb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
38,
38,
38,
38,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"b": 7.719868183135986,
"c": 7.719868183135986,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2SrSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NO1x3Toi6kuE2Y3jirPi5wLe6Fou | [
"Li",
"Na",
"Er"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
3,
3,
3,
3,
68,
68,
68,
68
] | 16 | 3 | [
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] | {
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"b": 7.649495601654053,
"c": 7.649495601654053,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2LiEr | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_365979 | [
"Na",
"Cr",
"Pb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
24,
24,
24,
24,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"b": 7.253499984741211,
"c": 7.253499984741211,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2CrPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nObceQwsvYwhw67oa9yJGV5diTcA | [
"Na",
"V",
"Ru"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
23,
23,
23,
23,
44,
44,
44,
44
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2VRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366010 | [
"Na",
"Ba",
"Th"
] | [
56,
56,
56,
56,
11,
11,
11,
11,
11,
11,
11,
11,
90,
90,
90,
90
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | BaNa2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366026 | [
"Na",
"Ca",
"Ni"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
20,
20,
20,
20,
28,
28,
28,
28
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2CaNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xN3i7d1Y9SuihkAJiabBlbIEQ1CA | [
"Na",
"Al",
"Pr"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
59,
59,
59,
59,
13,
13,
13,
13
] | 16 | 3 | [
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0.5
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] | {
"a": 7.364261627197266,
"b": 7.364261627197266,
"c": 7.364261627197266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2PrAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_61QuFSeD8_wivvHlH2vANuzm9cZF | [
"Na",
"V",
"Rb"
] | [
37,
37,
37,
37,
11,
11,
11,
11,
11,
11,
11,
11,
23,
23,
23,
23
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNa2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AhR11WqN5gf8L6UI6ivNtYmZVa1q | [
"Na",
"Nb",
"Sn"
] | [
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11,
11,
11,
11,
11,
11,
11,
41,
41,
41,
41,
50,
50,
50,
50
] | 16 | 3 | [
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] | {
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"c": 7.155721187591553,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2NbSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366084 | [
"Na",
"Al",
"Au"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
13,
13,
13,
13,
79,
79,
79,
79
] | 16 | 3 | [
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tar:OQMD_366101 | [
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tar:OQMD_366122 | [
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tar:OQMD_366137 | [
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tar:OQMD_366157 | [
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tar:NOMAD_7nG2Kyn_Q8ploxeX79BtSHnnv6h2 | [
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tar:OQMD_366184 | [
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tar:OQMD_366198 | [
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tar:OQMD_366213 | [
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tar:NOMAD_DFp8RUA3AFwA4ZlVBAfDn5MM3RpI | [
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tar:OQMD_366248 | [
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tar:OQMD_366265 | [
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tar:OQMD_366281 | [
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75,
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tar:OQMD_366299 | [
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} | 225 | Na2CaHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366316 | [
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tar:OQMD_366331 | [
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tar:OQMD_366345 | [
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tar:OQMD_366394 | [
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tar:OQMD_366409 | [
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tar:OQMD_366427 | [
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tar:OQMD_366445 | [
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tar:OQMD_366461 | [
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tar:OQMD_366479 | [
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tar:NOMAD_zQdK-eT_rRQL2x4__9doFslzx_KN | [
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tar:OQMD_366509 | [
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tar:OQMD_366518 | [
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tar:NOMAD_-2Z5KQzvH9hegmYNW9V-8QVg8Tz6 | [
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tar:OQMD_366546 | [
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} | 225 | Na2AlCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_QTEa4Qx_isYy5THD08-fBJxPXzom | [
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32,
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tar:OQMD_366584 | [
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} | 225 | Na2SbTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366599 | [
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57,
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} | 225 | Na2LaTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366613 | [
"Be",
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"Al"
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11,
11,
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11,
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4,
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13,
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13
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} | 225 | Na2BeAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366627 | [
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11,
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11,
11,
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4,
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tar:NOMAD_wz9lViCQp_9ffB51lokVgbmOiIVU | [
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11,
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23,
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28,
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} | 225 | Na2VNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366654 | [
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"Zr",
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11,
11,
11,
11,
11,
11,
11,
40,
40,
40,
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83,
83,
83,
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} | 225 | Na2ZrBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6vYDmQTRcxc00vVBDKfRqNpf2tn9 | [
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11,
11,
11,
11,
11,
38,
38,
38,
38,
62,
62,
62,
62
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"alpha": 90,
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} | 225 | Na2SrSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366685 | [
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11,
11,
11,
11,
11,
11,
11,
93,
93,
93,
93,
42,
42,
42,
42
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} | 225 | Na2NpMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366701 | [
"Na",
"Zn",
"W"
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11,
11,
11,
11,
11,
11,
11,
30,
30,
30,
30,
74,
74,
74,
74
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} | 225 | Na2ZnW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366715 | [
"Na",
"V",
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11,
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11,
11,
11,
11,
11,
23,
23,
23,
23,
27,
27,
27,
27
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} | 225 | Na2VCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366732 | [
"Na",
"Zr",
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11,
11,
11,
11,
11,
72,
72,
72,
72,
40,
40,
40,
40
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} | 225 | Na2HfZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366742 | [
"B",
"Na",
"Nd"
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11,
11,
11,
11,
11,
11,
11,
60,
60,
60,
60,
5,
5,
5,
5
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Na2NdB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366752 | [
"Na",
"Ru",
"W"
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11,
11,
11,
11,
11,
11,
11,
44,
44,
44,
44,
74,
74,
74,
74
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"alpha": 90,
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} | 225 | Na2RuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366766 | [
"Na",
"Fe",
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] | [
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11,
11,
11,
11,
11,
11,
11,
70,
70,
70,
70,
26,
26,
26,
26
] | 16 | 3 | [
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} | 225 | Na2YbFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366780 | [
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11,
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47,
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tar:OQMD_366794 | [
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11,
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tar:OQMD_366811 | [
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"Y",
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11,
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11,
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61,
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} | 225 | Na2PmY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_RimR5T9Cb3pufYR5QxVOajJA35hg | [
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11,
11,
11,
11,
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58,
58,
58,
61,
61,
61,
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} | 225 | Na2CePm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366843 | [
"Be",
"Na",
"Tc"
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11,
11,
11,
11,
11,
11,
11,
4,
4,
4,
4,
43,
43,
43,
43
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tar:NOMAD_DCZbslbwY12O1qZosjgDxxCWErDr | [
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64,
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81,
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} | 225 | Na2GdTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_yBHUlfdqDGN3m6yvGX39DlZ2weOK | [
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11,
11,
11,
11,
11,
11,
11,
91,
91,
91,
91,
44,
44,
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44
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} | 225 | Na2PaRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366883 | [
"Na",
"Cu",
"Er"
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11,
11,
11,
11,
11,
11,
11,
68,
68,
68,
68,
29,
29,
29,
29
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} | 225 | Na2ErCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_b_ICxKqs4zxJOo-pyj4hTF9xEJ5o | [
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11,
11,
11,
11,
50,
50,
50,
50,
77,
77,
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} | 225 | Na2SnIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366907 | [
"Li",
"Na",
"Ge"
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11,
11,
11,
11,
11,
11,
11,
3,
3,
3,
3,
32,
32,
32,
32
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} | 225 | Na2LiGe | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_366917 | [
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"Mg",
"As"
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11,
11,
11,
11,
11,
11,
11,
12,
12,
12,
12,
33,
33,
33,
33
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} | 225 | Na2MgAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3cx4IhxCApn19-plPMWgA14WRV45 | [
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11,
11,
11,
11,
11,
11,
11,
24,
24,
24,
24,
14,
14,
14,
14
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} | 225 | Na2CrSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366951 | [
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"Zn",
"Rh"
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11,
11,
11,
11,
11,
11,
11,
30,
30,
30,
30,
45,
45,
45,
45
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} | 225 | Na2ZnRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_366966 | [
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"Na",
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11,
11,
11,
11,
11,
11,
11,
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4,
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50,
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50
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tar:OQMD_366982 | [
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tar:NOMAD_7_WdO-mULKnaEPVJqjsC00OfPzVa | [
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tar:OQMD_367013 | [
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42,
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tar:OQMD_367026 | [
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11,
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90,
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tar:NOMAD_pRb5PnaSCbA7w52YWP6ySUGigE10 | [
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70,
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74,
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tar:OQMD_367053 | [
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11,
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67,
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tar:OQMD_367076 | [
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11,
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11,
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tar:NOMAD_PAjkgckThMetK7r48IIsPITQ9uCz | [
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11,
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70,
70,
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70,
50,
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50,
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} | 225 | Na2YbSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367107 | [
"Li",
"Na",
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11,
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11,
11,
11,
11,
3,
3,
3,
3,
47,
47,
47,
47
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} | 225 | Na2LiAg | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_367119 | [
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11,
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11,
11,
11,
11,
11,
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13,
13,
13,
43,
43,
43,
43
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tar:NOMAD_LIEeyCazHZRmdNwuRQlgVPWlh21k | [
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11,
59,
59,
59,
59,
39,
39,
39,
39
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} | 225 | Na2PrY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367148 | [
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"Te",
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11,
11,
11,
11,
11,
11,
11,
63,
63,
63,
63,
52,
52,
52,
52
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} | 225 | Na2EuTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367164 | [
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"U"
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11,
11,
11,
11,
11,
92,
92,
92,
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33,
33,
33,
33
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} | 225 | Na2UAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zZdpOU3VgcFiIcnYhmiR2f10zKSD | [
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11,
11,
11,
11,
11,
11,
11,
67,
67,
67,
67,
26,
26,
26,
26
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} | 225 | Na2HoFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367190 | [
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37,
37,
37,
11,
11,
11,
11,
11,
11,
11,
11,
65,
65,
65,
65
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] | {
"a": 8.61247444152832,
"b": 8.61247444152832,
"c": 8.61247444152832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNa2Tb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367208 | [
"Na",
"Ni",
"Hg"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
28,
28,
28,
28,
80,
80,
80,
80
] | 16 | 3 | [
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] | {
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"c": 6.951684951782227,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2NiHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367222 | [
"Na",
"Si",
"Tl"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
81,
81,
81,
81,
14,
14,
14,
14
] | 16 | 3 | [
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0.75
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[
0.25,
0.25,
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0,
0.5,
0
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[
0.5,
0,
0
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[
0.5,
0.5,
0.5
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] | {
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"b": 7.173038005828857,
"c": 7.173038005828857,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2TlSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367234 | [
"Na",
"Er",
"Th"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
68,
68,
68,
68,
90,
90,
90,
90
] | 16 | 3 | [
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0,
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[
0.5,
0.5,
0.5
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[
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[
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[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
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"c": 7.817624092102051,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2ErTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367249 | [
"Na",
"Ga",
"Sn"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
31,
31,
31,
31,
50,
50,
50,
50
] | 16 | 3 | [
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0.25
],
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0.25
],
[
0.75,
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0.5,
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0.5,
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] | {
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"c": 7.35619592666626,
"alpha": 90,
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"gamma": 90
} | 225 | Na2GaSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_41VpixQkptkQqYjI_kyke71iLdgJ | [
"Na",
"Gd",
"Tb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
65,
65,
65,
65,
64,
64,
64,
64
] | 16 | 3 | [
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0
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] | {
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"alpha": 90,
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} | 225 | Na2TbGd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367285 | [
"Na",
"Al",
"Pt"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
13,
13,
13,
13,
78,
78,
78,
78
] | 16 | 3 | [
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] | {
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"c": 6.756597995758057,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2AlPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367299 | [
"Na",
"Si",
"Th"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
90,
90,
90,
90,
14,
14,
14,
14
] | 16 | 3 | [
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[
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[
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[
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[
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[
0.5,
0.5,
0
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[
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.13675594329834,
"b": 7.13675594329834,
"c": 7.13675594329834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2ThSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367314 | [
"Na",
"Hf",
"Bi"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
72,
72,
72,
72,
83,
83,
83,
83
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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[
0.75,
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],
[
0.75,
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[
0.75,
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[
0.75,
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0.75
],
[
0,
0,
0
],
[
0,
0.5,
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[
0.5,
0,
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[
0.5,
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[
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.39381217956543,
"b": 7.39381217956543,
"c": 7.39381217956543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2HfBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MhieXyfyP4GcIXCV9JqmcDxf1JBm | [
"Na",
"W",
"Np"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
93,
93,
93,
93,
74,
74,
74,
74
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
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],
[
0.75,
0.25,
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],
[
0.25,
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],
[
0.25,
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[
0.75,
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[
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[
0,
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0
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[
0,
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[
0.5,
0.5,
0.5
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[
0.5,
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[
0,
0,
0
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[
0,
0.5,
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.036377429962158,
"b": 7.036377429962158,
"c": 7.036377429962158,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2NpW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_y8y2UHRZCY2ZrBQJY2ilbqG6Ig7E | [
"B",
"Na",
"Ga"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
31,
31,
31,
31,
5,
5,
5,
5
] | 16 | 3 | [
[
0.75,
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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[
0.25,
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[
0.25,
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[
0.75,
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[
0.25,
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0.25
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[
0.75,
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[
0,
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],
[
0,
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[
0.5,
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[
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[
0,
0,
0
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[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
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] | {
"a": 6.709402084350586,
"b": 6.709402084350586,
"c": 6.709402084350586,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2GaB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367358 | [
"Na",
"Ta",
"Tl"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
73,
73,
73,
73,
81,
81,
81,
81
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
0.25,
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],
[
0.25,
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[
0.75,
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],
[
0.25,
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[
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],
[
0,
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[
0,
0,
0.5
],
[
0.5,
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0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.18663215637207,
"b": 7.18663215637207,
"c": 7.18663215637207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2TaTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367374 | [
"Na",
"Al",
"Pu"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
94,
94,
94,
94,
13,
13,
13,
13
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
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[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.351491928100586,
"b": 7.351491928100586,
"c": 7.351491928100586,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2PuAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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