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_367389 | [
"Na",
"Ni",
"Pt"
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"alpha": 90,
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} | 225 | Na2NiPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367405 | [
"Na",
"Nb",
"Eu"
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11,
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11,
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11,
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63,
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"alpha": 90,
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} | 225 | Na2EuNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xCwEqwoBpobNu6hzQP3mbKvdnF5L | [
"Na",
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57,
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93,
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"alpha": 90,
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} | 225 | Na2LaNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NPK4WsB9LRUOS8ClPzdZJKoe-bDc | [
"Na",
"Ba",
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11,
11,
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11,
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66,
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"alpha": 90,
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} | 225 | BaNa2Dy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367455 | [
"Na",
"As",
"Pt"
] | [
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11,
11,
11,
11,
11,
11,
11,
33,
33,
33,
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78,
78,
78,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Na2AsPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ze0tnvMt6nK77Qa1GwIdiJ4wMnJi | [
"Na",
"Pm",
"Yb"
] | [
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11,
11,
11,
11,
11,
11,
11,
70,
70,
70,
70,
61,
61,
61,
61
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2YbPm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367494 | [
"Na",
"V",
"Au"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
23,
23,
23,
23,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"c": 6.879156112670898,
"alpha": 90,
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"gamma": 90
} | 225 | Na2VAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367510 | [
"Be",
"Na",
"Bi"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
4,
4,
4,
4,
83,
83,
83,
83
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2BeBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_R9tH8vmt1K5GkVSY5_aCnk5fryno | [
"Na",
"Ir",
"Ac"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
89,
89,
89,
89,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2AcIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367540 | [
"Na",
"Zr",
"Tl"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
40,
40,
40,
40,
81,
81,
81,
81
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Na2ZrTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367555 | [
"Na",
"Cs",
"Er"
] | [
55,
55,
55,
55,
11,
11,
11,
11,
11,
11,
11,
11,
68,
68,
68,
68
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | CsNa2Er | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367574 | [
"Na",
"Rh",
"In"
] | [
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11,
11,
11,
11,
11,
11,
11,
49,
49,
49,
49,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"c": 6.872511863708496,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2InRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367590 | [
"Na",
"Ti",
"Nb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
22,
22,
22,
22,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2TiNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367607 | [
"Na",
"Zn",
"Ho"
] | [
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11,
11,
11,
11,
11,
11,
11,
67,
67,
67,
67,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2HoZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367618 | [
"Na",
"Co",
"Ba"
] | [
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56,
56,
56,
11,
11,
11,
11,
11,
11,
11,
11,
27,
27,
27,
27
] | 16 | 3 | [
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0
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tar:OQMD_367633 | [
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tar:NOMAD_f9KZohXs32JGYx-gYmYlXgFtw9dj | [
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tar:NOMAD_U_uXVKQH8X5PhfJ9dBGX_eENv2Qz | [
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tar:OQMD_367676 | [
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tar:OQMD_367691 | [
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tar:NOMAD_QjOHi7tJlHD8f1uOp9FzVGFHCSdK | [
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tar:NOMAD_2tF79JF-jP6KRzmttCpISBB2sui9 | [
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tar:OQMD_367734 | [
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tar:OQMD_367749 | [
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tar:OQMD_367764 | [
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11,
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11,
11,
11,
11,
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tar:NOMAD_bVFx_g_4YShVtjFWdMW20mBij1J8 | [
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65,
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tar:OQMD_367792 | [
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11,
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3,
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} | 225 | Na2LiMg | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_367809 | [
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82,
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} | 225 | Na2PbW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367826 | [
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11,
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38,
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} | 225 | Na2SrLa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367841 | [
"Na",
"Ag",
"Os"
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11,
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11,
11,
11,
11,
11,
47,
47,
47,
47,
76,
76,
76,
76
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} | 225 | Na2AgOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367858 | [
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11,
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11,
11,
11,
11,
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3,
3,
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} | 225 | RbNa2Li | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_367872 | [
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tar:NOMAD_x3az8pXItH6xsIz84_8QLgiDuJW8 | [
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11,
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11,
11,
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89,
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57,
57,
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} | 225 | Na2AcLa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367899 | [
"Na",
"Cu",
"Zr"
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11,
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11,
11,
11,
11,
11,
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40,
40,
40,
29,
29,
29,
29
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} | 225 | Na2ZrCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367916 | [
"Na",
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11,
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11,
11,
11,
11,
11,
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62,
62,
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77,
77,
77,
77
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} | 225 | Na2SmIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VZ3b30d-dslb6o2nxWnc3pUwtH9O | [
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11,
92,
92,
92,
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25,
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} | 225 | Na2UMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367940 | [
"Na",
"Fe",
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37,
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11,
11,
11,
11,
11,
11,
11,
11,
26,
26,
26,
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"alpha": 90,
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} | 225 | RbNa2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367954 | [
"Na",
"Cs",
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11,
11,
11,
11,
11,
11,
11,
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81,
81,
81,
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} | 225 | CsNa2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AjzQ5d_8qJeW6-qyk6SKTnMnfjkb | [
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11,
11,
11,
11,
93,
93,
93,
93,
80,
80,
80,
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"alpha": 90,
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} | 225 | Na2NpHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367978 | [
"Na",
"Cu",
"In"
] | [
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11,
11,
11,
11,
11,
11,
11,
49,
49,
49,
49,
29,
29,
29,
29
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} | 225 | Na2InCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_367995 | [
"Na",
"Y",
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11,
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11,
11,
11,
11,
11,
39,
39,
39,
39,
43,
43,
43,
43
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} | 225 | Na2YTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368008 | [
"Na",
"Ni",
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] | [
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11,
11,
11,
11,
11,
11,
11,
93,
93,
93,
93,
28,
28,
28,
28
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} | 225 | Na2NpNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368025 | [
"Na",
"Rh",
"Te"
] | [
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11,
11,
11,
11,
11,
11,
11,
52,
52,
52,
52,
45,
45,
45,
45
] | 16 | 3 | [
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} | 225 | Na2TeRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368044 | [
"Na",
"Cs",
"Pt"
] | [
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55,
55,
55,
11,
11,
11,
11,
11,
11,
11,
11,
78,
78,
78,
78
] | 16 | 3 | [
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tar:OQMD_368056 | [
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tar:OQMD_368096 | [
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tar:OQMD_368110 | [
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tar:OQMD_368126 | [
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tar:OQMD_368138 | [
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tar:OQMD_368148 | [
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tar:OQMD_368161 | [
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tar:OQMD_368194 | [
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tar:OQMD_368210 | [
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tar:NOMAD_9ZfWq2X007t1GPHdvJrZRSkCQpgd | [
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tar:NOMAD_h_2CUq3jMWEy1yW0q7CCvC2uctrd | [
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tar:NOMAD_BM2zI14fnmjLvAUyOEbBQ3J3O-fV | [
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tar:NOMAD_KRiuWtqj1T6ZH4J1j0xUOtTw0SAz | [
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tar:OQMD_368297 | [
"Na",
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11,
11,
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93,
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} | 225 | Na2NpCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iLB7qtuozUCHR5Qj3mdIGK1biKZv | [
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"alpha": 90,
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} | 225 | YbAsOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368319 | [
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49,
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} | 225 | SmInOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368334 | [
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} | 225 | LaHfOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368351 | [
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76,
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} | 225 | ThAsOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368363 | [
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71,
71,
76,
76,
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"alpha": 90,
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} | 225 | SmLuOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368377 | [
"Te",
"Lu",
"Os"
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52,
52,
52,
76,
76,
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76,
76,
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} | 225 | LuTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dAXYpczsTniZiO5E6na1gFiM22eU | [
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49,
76,
76,
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76,
76,
76,
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} | 225 | PmInOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368407 | [
"V",
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23,
23,
23,
76,
76,
76,
76,
76,
76,
76,
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} | 225 | NpVOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368423 | [
"Ga",
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31,
31,
76,
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} | 225 | TlGaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368438 | [
"B",
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76,
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} | 225 | PaBOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bC6Z7uBfuABdfEjeAjBnrHbiB8qM | [
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76,
76,
76,
76,
76,
76,
76,
44,
44,
44,
44
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} | 225 | PrOs2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368468 | [
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4,
76,
76,
76,
76,
76,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | CeBeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368486 | [
"Si",
"La",
"Os"
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14,
14,
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76,
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} | 225 | LaSiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368504 | [
"Mn",
"Re",
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75,
75,
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76,
76,
76,
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} | 225 | MnReOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368521 | [
"V",
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"alpha": 90,
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} | 225 | VMoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368539 | [
"Mo",
"Ru",
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76,
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76,
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"alpha": 90,
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} | 225 | MoOs2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368554 | [
"Li",
"Os",
"Ac"
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89,
89,
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76,
76,
76,
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76,
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} | 225 | LiAcOs2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_368568 | [
"Fe",
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76,
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76,
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44,
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} | 225 | FeOs2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_5YRo8neRXKlPJwgiiwou0Pd5FmZd | [
"Ca",
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65,
65,
76,
76,
76,
76,
76,
76,
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"alpha": 90,
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} | 225 | CaTbOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368608 | [
"Ag",
"Eu",
"Os"
] | [
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47,
47,
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76,
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} | 225 | EuAgOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_epPcG0pWRJVUrJwWjZB7ycf-WQW4 | [
"Yb",
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83,
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76,
76,
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"alpha": 90,
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} | 225 | YbBiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368641 | [
"In",
"Os",
"Pb"
] | [
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76,
76,
76,
76,
76,
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82,
82,
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] | {
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"alpha": 90,
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} | 225 | InOs2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_-i9e4dO4SVGgepww68BF1COIkucI | [
"Os",
"U",
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76,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | NpUOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nUXZTfNxxr4cGPYavVbOQvEtxS7c | [
"Rb",
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51,
51,
76,
76,
76,
76,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | RbSbOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368683 | [
"Ti",
"In",
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] | [
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22,
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49,
49,
49,
76,
76,
76,
76,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | TiInOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368697 | [
"Ga",
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31,
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31,
76,
76,
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76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | ThGaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368710 | [
"Cd",
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] | [
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76,
76,
76,
76,
76,
76,
76,
78,
78,
78,
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] | 16 | 3 | [
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] | {
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"b": 6.315532207489014,
"c": 6.315532207489014,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CdOs2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368728 | [
"K",
"Nd",
"Os"
] | [
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19,
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19,
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60,
60,
60,
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76,
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} | 225 | KNdOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_KMfzAyGhm2g7MP9201RRomJDCfK1 | [
"Na",
"Ba",
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11,
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76,
76,
76,
76,
76,
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] | {
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"c": 6.960718631744385,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaNaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368759 | [
"Y",
"Zr",
"Os"
] | [
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39,
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39,
40,
40,
40,
40,
76,
76,
76,
76,
76,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | YZrOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zcviGqYrGc69VK85vGj6OxT4duNQ | [
"Yb",
"Os",
"Ir"
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70,
70,
77,
77,
77,
77,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | YbIrOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368787 | [
"Ga",
"Cd",
"Os"
] | [
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31,
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76,
76,
76,
76,
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] | {
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} | 225 | CdGaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368801 | [
"Ta",
"Os",
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73,
73,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | AcTaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368818 | [
"Na",
"Rb",
"Os"
] | [
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37,
37,
37,
11,
11,
11,
11,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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[
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]
] | {
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"alpha": 90,
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} | 225 | RbNaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368838 | [
"Tc",
"Te",
"Os"
] | [
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43,
43,
43,
52,
52,
52,
52,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TcTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368854 | [
"Rh",
"Hf",
"Os"
] | [
72,
72,
72,
72,
76,
76,
76,
76,
76,
76,
76,
76,
45,
45,
45,
45
] | 16 | 3 | [
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],
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | HfOs2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368871 | [
"Mo",
"Tc",
"Os"
] | [
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43,
43,
43,
42,
42,
42,
42,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TcMoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_peC1NNT_H11HRRD5oVTRzI-h8mY0 | [
"Sr",
"Ce",
"Os"
] | [
38,
38,
38,
38,
58,
58,
58,
58,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
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[
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],
[
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]
] | {
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"c": 7.148024082183838,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrCeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9qwHMRhcbP1ZbUS99t-_Caqyg-fD | [
"Tm",
"Os",
"Ir"
] | [
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69,
69,
69,
77,
77,
77,
77,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
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[
0.5,
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[
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[
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]
] | {
"a": 6.410890102386475,
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"alpha": 90,
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"gamma": 90
} | 225 | TmIrOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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