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{
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"volume_molar": 6.343080566935834,
"formula_full": "Ta1 Ti1 C1 N1",
"formula_reduced": "TaTiCN",
"formula_anonymous": "ABCD",
"energy": -41.95936539,
"energy_per_atom": -10.4898413475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.155000Z",
"spacegroup": 160
},
{
"id": "mp-1217951",
"created_at": "2022-09-04T14:41:36.067389Z",
"structure_string": "Ta4 Ti4 Co4\n1.0\n-2.527166 -4.412792 0.000000\n-5.085719 0.018131 0.000000\n0.000000 0.000000 -7.965358\nTa Ti Co\n4 4 4\ndirect\n0.321877 0.321864 0.568265 Ta\n0.653449 0.653523 0.456014 Ta\n0.653449 0.653523 0.043986 Ta\n0.321877 0.321864 0.931735 Ta\n0.851779 0.851768 0.750000 Ti\n0.156465 0.661425 0.250000 Ti\n0.661463 0.156486 0.250000 Ti\n0.167248 0.167238 0.250000 Ti\n0.005832 0.005768 0.500136 Co\n0.005832 0.005768 0.999864 Co\n0.842232 0.358540 0.750000 Co\n0.358499 0.842233 0.750000 Co\n",
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"chemical_system": "Co-Ta-Ti",
"density": 10.670004625390419,
"density_atomic": 0.06699221510290672,
"volume": 179.125290626184,
"volume_molar": 8.989314281889905,
"formula_full": "Ta4 Ti4 Co4",
"formula_reduced": "TaTiCo",
"formula_anonymous": "ABC",
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},
{
"id": "mp-1217930",
"created_at": "2022-09-04T14:44:29.235586Z",
"structure_string": "Ta4 Ti4 Cr4 O24\n1.0\n4.691573 0.000000 0.000003\n0.000006 -4.690514 9.080454\n-0.000001 -9.380485 0.000281\nTa Ti Cr O\n4 4 4 24\ndirect\n0.500013 0.834057 0.832955 Ta\n0.500007 0.834052 0.332952 Ta\n0.999986 0.334055 0.332954 Ta\n0.999985 0.334057 0.832955 Ta\n0.499985 0.498142 0.000898 Ti\n0.499994 0.498147 0.500895 Ti\n0.000010 0.998150 0.000893 Ti\n0.000001 0.998151 0.500895 Ti\n0.499985 0.167140 0.166433 Cr\n0.999973 0.667136 0.166404 Cr\n0.500029 0.167140 0.666423 Cr\n0.000030 0.667148 0.666422 Cr\n0.193875 0.165751 0.013918 O\n0.193853 0.165758 0.513918 O\n0.806341 0.165898 0.320396 O\n0.806359 0.165905 0.820388 O\n0.306137 0.665757 0.013917 O\n0.306144 0.665759 0.513919 O\n0.693639 0.665904 0.820387 O\n0.693656 0.665899 0.320396 O\n0.199112 0.497280 0.850780 O\n0.199111 0.497277 0.350782 O\n0.800898 0.497331 0.151902 O\n0.800895 0.497330 0.651905 O\n0.300887 0.997277 0.850781 O\n0.300901 0.997274 0.350788 O\n0.699101 0.997329 0.651904 O\n0.699098 0.997328 0.151905 O\n0.195732 0.837294 0.679124 O\n0.195735 0.837274 0.179100 O\n0.804586 0.837116 0.983596 O\n0.804581 0.837108 0.483627 O\n0.304268 0.337273 0.179099 O\n0.304266 0.337293 0.679125 O\n0.695413 0.337103 0.983632 O\n0.695415 0.337107 0.483630 O\n",
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"elements": [
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],
"chemical_system": "Cr-O-Ta-Ti",
"density": 6.263021099886289,
"density_atomic": 0.09008612090734379,
"volume": 399.6176063239203,
"volume_molar": 6.684870765158095,
"formula_full": "Ta4 Ti4 Cr4 O24",
"formula_reduced": "TaTiCrO6",
"formula_anonymous": "ABCD6",
"energy": -348.74462162,
"energy_per_atom": -9.687350600555554,
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"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.332000Z",
"spacegroup": 102
}
]
}