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{
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"results": [
{
"id": "mp-19455",
"created_at": "2022-09-04T14:47:15.879395Z",
"structure_string": "Mn2 Mo2 O8\n1.0\n4.863986 -0.006717 0.000000\n-0.078746 5.057124 0.000000\n0.000000 0.000000 5.854009\nMn Mo O\n2 2 8\ndirect\n0.000000 0.750000 0.817208 Mn\n0.000000 0.250000 0.182779 Mn\n0.500000 0.750000 0.319164 Mo\n0.500000 0.250000 0.680839 Mo\n0.711949 0.442522 0.395637 O\n0.288051 0.057478 0.395637 O\n0.288048 0.557479 0.604369 O\n0.711951 0.942521 0.604369 O\n0.752637 0.395462 0.873716 O\n0.247363 0.104538 0.873716 O\n0.247364 0.604543 0.126283 O\n0.752636 0.895457 0.126283 O\n",
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{
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"created_at": "2022-09-04T14:48:23.949310Z",
"structure_string": "Mn2 Mo2 N1 O10\n1.0\n2.972084 4.969479 0.000000\n-2.972084 4.969479 0.000000\n0.000000 3.588947 7.649533\nMn Mo N O\n2 2 1 10\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.573206 0.573206 0.240392 Mo\n0.426794 0.426794 0.759608 Mo\n0.000000 0.000000 0.000000 N\n0.194948 0.194948 0.409056 O\n0.805052 0.805052 0.590944 O\n0.210761 0.693532 0.295625 O\n0.693532 0.210761 0.295625 O\n0.789239 0.306468 0.704375 O\n0.306468 0.789239 0.704375 O\n0.684717 0.684717 0.019414 O\n0.315283 0.315283 0.980586 O\n0.681560 0.681560 0.382436 O\n0.318440 0.318440 0.617564 O\n",
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],
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"formula_full": "Mn2 Mo2 N1 O10",
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"spacegroup": 12
},
{
"id": "mp-1097487",
"created_at": "2022-09-04T14:48:00.856327Z",
"structure_string": "Mn1 Nb2 Mo1\n1.0\n-4.923585 6.150991 9.935697\n4.923585 -6.150991 9.935697\n4.923585 6.150991 -9.935697\nMn Nb Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263196 0.263196 Nb\n0.000000 0.736804 0.736804 Nb\n0.000000 0.500000 0.500000 Mo\n",
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"spacegroup": 71
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{
"id": "mp-1224580",
"created_at": "2022-09-04T14:41:24.618276Z",
"structure_string": "Na4 Mn1 Mo8 O47\n1.0\n9.000519 0.000000 0.000000\n-0.314478 9.450533 0.000000\n-2.459759 -2.130123 11.230698\nNa Mn Mo O\n4 1 8 47\ndirect\n0.477903 0.364552 0.085761 Na\n0.522097 0.635448 0.914239 Na\n0.247206 0.629986 0.381392 Na\n0.752794 0.370014 0.618608 Na\n0.000000 0.000000 0.500000 Mn\n0.241376 0.903408 0.150016 Mo\n0.758624 0.096592 0.849984 Mo\n0.939188 0.418688 0.124340 Mo\n0.060812 0.581312 0.875660 Mo\n0.133485 0.204315 0.287778 Mo\n0.866515 0.795685 0.712222 Mo\n0.119136 0.146972 0.976487 Mo\n0.880864 0.853028 0.023513 Mo\n0.529668 0.732106 0.442441 O\n0.470332 0.267894 0.557559 O\n0.943760 0.271322 0.230663 O\n0.056240 0.728678 0.769337 O\n0.243420 0.805981 0.261601 O\n0.756580 0.194019 0.738399 O\n0.623942 0.254813 0.286259 O\n0.376058 0.745187 0.713741 O\n0.025764 0.553091 0.243506 O\n0.974236 0.446909 0.756494 O\n0.301899 0.086669 0.250102 O\n0.698101 0.913331 0.749898 O\n0.900503 0.220696 0.978542 O\n0.099497 0.779304 0.021458 O\n0.182431 0.242143 0.882050 O\n0.817569 0.757857 0.117950 O\n0.532173 0.315221 0.882533 O\n0.467827 0.684779 0.117467 O\n0.059128 0.536414 0.526566 O\n0.940872 0.463586 0.473434 O\n0.269961 0.029391 0.012698 O\n0.730039 0.970609 0.987302 O\n0.654902 0.130442 0.252916 O\n0.345098 0.869558 0.747084 O\n0.081268 0.100150 0.391185 O\n0.918732 0.899850 0.608815 O\n0.697492 0.680042 0.337270 O\n0.302508 0.319958 0.662730 O\n0.744220 0.438100 0.105258 O\n0.255780 0.561900 0.894742 O\n0.037521 0.003057 0.130547 O\n0.962479 0.996943 0.869453 O\n0.236933 0.356296 0.377077 O\n0.763067 0.643704 0.622923 O\n0.442698 0.138856 0.556539 O\n0.557302 0.861144 0.443461 O\n0.426352 0.816861 0.102845 O\n0.573648 0.183139 0.897155 O\n0.401693 0.538478 0.226713 O\n0.598307 0.461522 0.773287 O\n0.159371 0.282368 0.123403 O\n0.840629 0.717632 0.876597 O\n0.000000 0.500000 0.000000 O\n0.276086 0.191045 0.658831 O\n0.723914 0.808955 0.341169 O\n0.121291 0.866783 0.483913 O\n0.878709 0.133217 0.516087 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mn-Mo-Na-O",
"density": 2.8966422593373946,
"density_atomic": 0.06280882160785142,
"volume": 955.2798231848963,
"volume_molar": 9.588049267345594,
"formula_full": "Na4 Mn1 Mo8 O47",
"formula_reduced": "Na4MnMo8O47",
"formula_anonymous": "AB4C8D47",
"energy": -391.23101481,
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"updated_at": "2021-11-28T01:35:18.498000Z",
"spacegroup": 2
},
{
"id": "mp-9374",
"created_at": "2022-09-04T14:46:06.179631Z",
"structure_string": "Mn2 Mo2 N4\n1.0\n1.432244 -2.480720 0.000000\n1.432244 2.480720 0.000000\n0.000000 0.000000 10.684617\nMn Mo N\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n0.333333 0.666667 0.378588 N\n0.666667 0.333333 0.878588 N\n0.333333 0.666667 0.121412 N\n0.666667 0.333333 0.621412 N\n",
"nsites": 8,
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],
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"density": 7.825010894817412,
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"formula_full": "Mn2 Mo2 N4",
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"spacegroup": 194
},
{
"id": "mp-1180144",
"created_at": "2022-09-04T14:44:27.946449Z",
"structure_string": "Mn1 Mo3\n1.0\n3.358639 -5.626593 0.000000\n3.358639 5.626593 0.000000\n-6.067369 0.000000 2.475085\nMn Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.792642 0.207358 Mo\n0.792642 0.207358 0.000000 Mo\n0.207358 0.000000 0.792642 Mo\n",
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"updated_at": "2021-11-28T01:36:45.497000Z",
"spacegroup": 155
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{
"id": "mp-1191484",
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"structure_string": "Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n",
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{
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{
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{
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{
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"structure_string": "Mn20\n1.0\n6.028121 0.000000 0.000000\n0.000000 6.028121 0.000000\n0.000000 0.000000 6.028121\nMn\n20\ndirect\n0.053358 0.053358 0.053358 Mn\n0.303358 0.196642 0.803358 Mn\n0.803358 0.303358 0.196642 Mn\n0.196642 0.803358 0.303358 Mn\n0.446642 0.946642 0.553358 Mn\n0.553358 0.446642 0.946642 Mn\n0.946642 0.553358 0.446642 Mn\n0.696642 0.696642 0.696642 Mn\n0.125000 0.197057 0.447057 Mn\n0.375000 0.802943 0.947057 Mn\n0.875000 0.697057 0.052943 Mn\n0.197057 0.447057 0.125000 Mn\n0.802943 0.947057 0.375000 Mn\n0.052943 0.875000 0.697057 Mn\n0.447057 0.125000 0.197057 Mn\n0.302943 0.552943 0.625000 Mn\n0.947057 0.375000 0.802943 Mn\n0.552943 0.625000 0.302943 Mn\n0.697057 0.052943 0.875000 Mn\n0.625000 0.302943 0.552943 Mn\n",
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{
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"volume": 10.806379220285026,
"volume_molar": 6.507753677049546,
"formula_full": "Mn1",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -9.07891724,
"energy_per_atom": -9.07891724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07891724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0189602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.770000Z",
"spacegroup": 225
}
]
}