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{
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{
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{
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{
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"structure_string": "Cr4 Re8 O24\n1.0\n-4.792371 4.792124 -0.000364\n-4.792398 -4.792151 -0.000410\n-4.791700 0.000027 8.493577\nCr Re O\n4 8 24\ndirect\n0.416687 0.916661 0.166651 Cr\n0.166650 0.166685 0.666656 Cr\n0.916688 0.416659 0.166650 Cr\n0.666666 0.666688 0.666643 Cr\n0.242825 0.742864 0.514253 Re\n0.742823 0.242866 0.514251 Re\n0.090892 0.590916 0.818238 Re\n0.590902 0.090917 0.818224 Re\n0.492856 0.492826 0.014243 Re\n0.992860 0.992834 0.014231 Re\n0.340924 0.340906 0.318244 Re\n0.840924 0.840910 0.318234 Re\n0.696814 0.916666 0.166839 O\n0.196826 0.416675 0.166835 O\n0.136386 0.916532 0.166818 O\n0.636372 0.416520 0.166820 O\n0.166530 0.886415 0.666794 O\n0.666533 0.386388 0.666823 O\n0.166670 0.446803 0.666810 O\n0.666649 0.946798 0.666837 O\n0.548806 0.752297 0.495226 O\n0.048803 0.252298 0.495241 O\n0.376951 0.580751 0.838434 O\n0.876930 0.080749 0.838431 O\n0.956022 0.752432 0.495179 O\n0.455993 0.252420 0.495197 O\n0.784696 0.580802 0.838368 O\n0.284718 0.080804 0.838365 O\n0.330788 0.034653 0.338389 O\n0.830794 0.534702 0.338373 O\n0.002448 0.706026 0.995176 O\n0.502454 0.206000 0.995167 O\n0.002324 0.298810 0.995225 O\n0.502323 0.798841 0.995214 O\n0.330733 0.626960 0.338471 O\n0.830742 0.126932 0.338451 O\n",
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"elements": [
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],
"chemical_system": "Na-P-S-Sb",
"density": 2.773745454166595,
"density_atomic": 0.041855217754213005,
"volume": 955.6753529486472,
"volume_molar": 14.388028740798585,
"formula_full": "Na4 Sb4 P8 S24",
"formula_reduced": "NaSb(PS3)2",
"formula_anonymous": "ABC2D6",
"energy": -193.49169663,
"energy_per_atom": -4.83729241575,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -181.41969663,
"band_gap": 2.0182999999999995,
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"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.718000Z",
"spacegroup": 14
},
{
"id": "mp-1213577",
"created_at": "2022-09-04T14:48:09.172457Z",
"structure_string": "Dy6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.542309\n-4.408551 -7.635835 0.000000\n-4.408551 7.635835 0.000000\nDy Co Sn\n6 16 8\ndirect\n0.785479 0.475064 0.950129 Dy\n0.785479 0.475064 0.524936 Dy\n0.285479 0.524936 0.049871 Dy\n0.785479 0.049871 0.524936 Dy\n0.285479 0.524936 0.475064 Dy\n0.285479 0.950129 0.475064 Dy\n0.625622 0.666667 0.333333 Co\n0.125622 0.333333 0.666667 Co\n0.756056 0.098400 0.196801 Co\n0.756056 0.098400 0.901600 Co\n0.256056 0.901600 0.803199 Co\n0.756056 0.803199 0.901600 Co\n0.256056 0.901600 0.098400 Co\n0.256056 0.196801 0.098400 Co\n0.940127 0.839597 0.679193 Co\n0.940127 0.839597 0.160403 Co\n0.440127 0.160403 0.320807 Co\n0.940127 0.320807 0.160403 Co\n0.440127 0.160403 0.839597 Co\n0.440127 0.679193 0.839597 Co\n0.999488 0.000000 0.000000 Co\n0.499488 0.000000 0.000000 Co\n0.976091 0.666667 0.333333 Sn\n0.476091 0.333333 0.666667 Sn\n0.572970 0.829487 0.658975 Sn\n0.572970 0.829487 0.170513 Sn\n0.072970 0.170513 0.341025 Sn\n0.572970 0.341025 0.170513 Sn\n0.072970 0.170513 0.829487 Sn\n0.072970 0.658975 0.829487 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Co",
"Sn"
],
"chemical_system": "Co-Dy-Sn",
"density": 9.377404113243045,
"density_atomic": 0.059079190158323976,
"volume": 507.79301340462166,
"volume_molar": 10.193336678890661,
"formula_full": "Dy6 Co16 Sn8",
"formula_reduced": "Dy3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy": -182.4794408,
"energy_per_atom": -6.082648026666666,
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"is_stable": null,
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"energy_uncorrected": -182.4794408,
"band_gap": 0.0,
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"total_magnetization": 12.0962084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.587000Z",
"spacegroup": 186
}
]
}