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{
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"results": [
{
"id": "mp-10666",
"created_at": "2022-09-04T14:45:28.477722Z",
"structure_string": "Mn3 Ag1 N1\n1.0\n4.003595 0.000000 0.000000\n0.000000 4.003595 0.000000\n0.000000 0.000000 4.003595\nMn Ag N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ag-Mn-N",
"density": 7.418391781984578,
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"volume": 64.17271513476186,
"volume_molar": 7.729142469858365,
"formula_full": "Mn3 Ag1 N1",
"formula_reduced": "Mn3AgN",
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"energy": -39.36969862,
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{
"id": "mp-1174000",
"created_at": "2022-09-04T14:45:28.734483Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.838742 0.000000 0.000000\n0.000000 4.967601 0.000000\n0.000000 1.672002 4.797721\nLi Mn Co O\n5 1 2 8\ndirect\n0.991940 0.500000 0.500000 Li\n0.747513 0.000000 0.500000 Li\n0.508018 0.500000 0.500000 Li\n0.251559 0.000000 0.500000 Li\n0.748656 0.500000 0.000000 Li\n0.999362 0.000000 0.000000 Mn\n0.510319 0.000000 0.000000 Co\n0.246017 0.500000 0.000000 Co\n0.019263 0.746885 0.783584 O\n0.764034 0.222367 0.761895 O\n0.476529 0.741491 0.781599 O\n0.238482 0.252586 0.777077 O\n0.019263 0.253115 0.216416 O\n0.764034 0.777633 0.238105 O\n0.476529 0.258509 0.218401 O\n0.238482 0.747414 0.222923 O\n",
"nsites": 16,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.003562767299918,
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"volume": 139.1556935220989,
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"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -102.68454744,
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"spacegroup": 3
},
{
"id": "mp-1190452",
"created_at": "2022-09-04T14:45:20.765076Z",
"structure_string": "Sm2 Co1 Te2 S2 O14\n1.0\n-5.371700 0.000000 0.000000\n-0.531167 -8.007146 0.000000\n2.439097 3.438817 7.146770\nSm Co Te S O\n2 1 2 2 14\ndirect\n0.089666 0.251135 0.983977 Sm\n0.910334 0.748865 0.016023 Sm\n0.000000 0.000000 0.500000 Co\n0.520972 0.267965 0.658698 Te\n0.479028 0.732035 0.341302 Te\n0.775243 0.246071 0.251431 S\n0.224757 0.753929 0.748569 S\n0.916097 0.403199 0.258251 O\n0.083903 0.596801 0.741749 O\n0.876313 0.223141 0.425711 O\n0.123687 0.776859 0.574289 O\n0.491750 0.274069 0.217751 O\n0.508250 0.725931 0.782249 O\n0.822397 0.077620 0.087846 O\n0.177603 0.922380 0.912154 O\n0.750826 0.433958 0.892551 O\n0.249174 0.566042 0.107449 O\n0.279386 0.189847 0.744597 O\n0.720614 0.810153 0.255403 O\n0.753055 0.076867 0.664352 O\n0.246945 0.923133 0.335648 O\n",
"nsites": 21,
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"elements": [
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"Co",
"Te",
"S",
"O"
],
"chemical_system": "Co-O-S-Sm-Te",
"density": 4.877816092887974,
"density_atomic": 0.06831561644876642,
"volume": 307.3967723873067,
"volume_molar": 8.815174440409725,
"formula_full": "Sm2 Co1 Te2 S2 O14",
"formula_reduced": "Sm2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy": -149.34212984,
"energy_per_atom": -7.111529992380953,
"energy_above_hull": null,
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"energy_uncorrected": -138.08612984,
"band_gap": 3.1058,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.514000Z",
"spacegroup": 2
},
{
"id": "mp-1022980",
"created_at": "2022-09-04T14:45:26.203623Z",
"structure_string": "Mg12 Mn2 V2\n1.0\n4.942343 0.000000 0.000000\n0.000000 6.207374 0.000000\n0.000000 0.000000 10.621639\nMg Mn V\n12 2 2\ndirect\n0.000000 0.760518 0.588490 Mg\n0.000000 0.239482 0.588490 Mg\n0.000000 0.000000 0.334344 Mg\n0.500000 0.739349 0.412795 Mg\n0.500000 0.260651 0.412795 Mg\n0.500000 0.000000 0.165471 Mg\n0.000000 0.260518 0.088490 Mg\n0.000000 0.739482 0.088490 Mg\n0.000000 0.500000 0.834344 Mg\n0.500000 0.239349 0.912795 Mg\n0.500000 0.760651 0.912795 Mg\n0.500000 0.500000 0.665471 Mg\n0.000000 0.000000 0.832516 Mn\n0.000000 0.500000 0.332516 Mn\n0.500000 0.000000 0.665098 V\n0.500000 0.500000 0.165098 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"V"
],
"chemical_system": "Mg-Mn-V",
"density": 2.5653489362601682,
"density_atomic": 0.049100696274394555,
"volume": 325.8609594981205,
"volume_molar": 12.26487853928963,
"formula_full": "Mg12 Mn2 V2",
"formula_reduced": "Mg6MnV",
"formula_anonymous": "ABC6",
"energy": -51.45312954,
"energy_per_atom": -3.21582059625,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.713000Z",
"spacegroup": 38
},
{
"id": "mp-850217",
"created_at": "2022-09-04T14:45:26.205578Z",
"structure_string": "Li16 V8 Si16 O52\n1.0\n5.029405 0.000000 0.000000\n0.000000 13.813255 0.000000\n0.000000 0.000000 14.155745\nLi V Si O\n16 8 16 52\ndirect\n0.182939 0.041300 0.218808 Li\n0.662685 0.100290 0.916076 Li\n0.647773 0.140424 0.110448 Li\n0.251023 0.209542 0.837518 Li\n0.751023 0.290458 0.337518 Li\n0.147773 0.359576 0.610448 Li\n0.162685 0.399710 0.416076 Li\n0.682939 0.458700 0.718808 Li\n0.317061 0.541300 0.218808 Li\n0.837315 0.600290 0.916076 Li\n0.852227 0.640424 0.110448 Li\n0.248977 0.709542 0.837518 Li\n0.748977 0.790458 0.337518 Li\n0.352227 0.859576 0.610448 Li\n0.337315 0.899710 0.416076 Li\n0.817061 0.958700 0.718808 Li\n0.353850 0.079122 0.626193 V\n0.182556 0.172129 0.421367 V\n0.682556 0.327871 0.921367 V\n0.853850 0.420878 0.126193 V\n0.146150 0.579122 0.626193 V\n0.317444 0.672129 0.421367 V\n0.817444 0.827871 0.921367 V\n0.646150 0.920878 0.126193 V\n0.149925 0.022057 0.001611 Si\n0.689427 0.061292 0.317465 Si\n0.844779 0.189751 0.728717 Si\n0.170720 0.225625 0.046003 Si\n0.670720 0.274375 0.546003 Si\n0.344779 0.310249 0.228717 Si\n0.189427 0.438708 0.817465 Si\n0.649925 0.477943 0.501611 Si\n0.350075 0.522057 0.001611 Si\n0.810573 0.561292 0.317465 Si\n0.655221 0.689751 0.728717 Si\n0.329280 0.725625 0.046003 Si\n0.829280 0.774375 0.546003 Si\n0.155221 0.810249 0.228717 Si\n0.310573 0.938708 0.817465 Si\n0.850075 0.977943 0.501611 Si\n0.423290 0.025402 0.061265 O\n0.773776 0.036844 0.208318 O\n0.217685 0.032606 0.886942 O\n0.062163 0.064251 0.521040 O\n0.372031 0.073308 0.338138 O\n0.668633 0.093583 0.709389 O\n0.986808 0.125535 0.025430 O\n0.858998 0.156659 0.347146 O\n0.159406 0.177688 0.702263 O\n0.472669 0.184016 0.524830 O\n0.240858 0.217562 0.160493 O\n0.826402 0.215169 0.841655 O\n0.445155 0.217444 0.985743 O\n0.945155 0.282556 0.485743 O\n0.326402 0.284831 0.341655 O\n0.740858 0.282438 0.660493 O\n0.972669 0.315984 0.024830 O\n0.659406 0.322312 0.202263 O\n0.358998 0.343341 0.847146 O\n0.486808 0.374465 0.525430 O\n0.168633 0.406417 0.209389 O\n0.872031 0.426692 0.838138 O\n0.562163 0.435749 0.021040 O\n0.717685 0.467394 0.386942 O\n0.273776 0.463156 0.708318 O\n0.923290 0.474598 0.561265 O\n0.076710 0.525402 0.061265 O\n0.726224 0.536844 0.208318 O\n0.282315 0.532606 0.886942 O\n0.437837 0.564251 0.521040 O\n0.127969 0.573308 0.338138 O\n0.831367 0.593583 0.709389 O\n0.513192 0.625535 0.025430 O\n0.641002 0.656659 0.347146 O\n0.340594 0.677688 0.702263 O\n0.027331 0.684016 0.524830 O\n0.259142 0.717562 0.160493 O\n0.673598 0.715169 0.841655 O\n0.054845 0.717444 0.985743 O\n0.554845 0.782556 0.485743 O\n0.173598 0.784831 0.341655 O\n0.759142 0.782438 0.660493 O\n0.527331 0.815984 0.024830 O\n0.840594 0.822312 0.202263 O\n0.141002 0.843341 0.847146 O\n0.013192 0.874465 0.525430 O\n0.331367 0.906417 0.209389 O\n0.627969 0.926692 0.838138 O\n0.937837 0.935749 0.021040 O\n0.782315 0.967394 0.386942 O\n0.226224 0.963156 0.708318 O\n0.576710 0.974598 0.561265 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.0391916631166924,
"density_atomic": 0.0935497127345186,
"volume": 983.4343399972112,
"volume_molar": 6.437369590957504,
"formula_full": "Li16 V8 Si16 O52",
"formula_reduced": "Li4V2Si4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -712.6957056299999,
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"updated_at": "2021-11-28T01:36:54.463000Z",
"spacegroup": 33
},
{
"id": "mp-984727",
"created_at": "2022-09-04T14:45:26.639912Z",
"structure_string": "Ce3 Br1\n1.0\n4.574962 0.000000 0.000000\n0.000000 4.574962 0.000000\n0.000000 0.000000 4.574962\nCe Br\n3 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Br-Ce",
"density": 8.675119335383796,
"density_atomic": 0.04177317813064844,
"volume": 95.75522330356885,
"volume_molar": 14.416285830983096,
"formula_full": "Ce3 Br1",
"formula_reduced": "Ce3Br",
"formula_anonymous": "AB3",
"energy": -20.86621097,
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"updated_at": "2021-11-28T01:37:00.578000Z",
"spacegroup": 221
},
{
"id": "mp-568798",
"created_at": "2022-09-04T14:45:26.183117Z",
"structure_string": "Ca56 Mn4 Sb44\n1.0\n-8.410867 8.410867 11.112134\n8.410867 -8.410867 11.112134\n8.410867 8.410867 -11.112134\nCa Mn Sb\n56 4 44\ndirect\n0.745718 0.527337 0.866608 Ca\n0.245718 0.379110 0.218381 Ca\n0.777337 0.495718 0.366608 Ca\n0.277337 0.910729 0.281619 Ca\n0.004282 0.722663 0.633392 Ca\n0.504282 0.870890 0.281619 Ca\n0.972663 0.754282 0.133392 Ca\n0.472663 0.339271 0.218381 Ca\n0.160729 0.027337 0.781619 Ca\n0.660729 0.879110 0.133392 Ca\n0.629110 0.995718 0.718381 Ca\n0.129110 0.410729 0.633392 Ca\n0.589271 0.222663 0.718381 Ca\n0.089271 0.370890 0.366608 Ca\n0.120890 0.254282 0.781619 Ca\n0.620890 0.839271 0.866608 Ca\n0.894393 0.998272 0.149568 Ca\n0.394393 0.244825 0.896120 Ca\n0.248272 0.644393 0.649568 Ca\n0.748272 0.098704 0.603880 Ca\n0.855607 0.251728 0.350432 Ca\n0.355607 0.005175 0.603880 Ca\n0.501728 0.605607 0.850432 Ca\n0.001728 0.151296 0.896120 Ca\n0.348704 0.498272 0.103880 Ca\n0.848704 0.744825 0.850432 Ca\n0.494825 0.144393 0.396120 Ca\n0.994825 0.598704 0.350432 Ca\n0.401296 0.751728 0.396120 Ca\n0.901296 0.505175 0.649568 Ca\n0.255175 0.105607 0.103880 Ca\n0.755175 0.651296 0.149568 Ca\n0.978667 0.375000 0.103667 Ca\n0.478667 0.375000 0.603667 Ca\n0.625000 0.728667 0.603667 Ca\n0.125000 0.521333 0.896333 Ca\n0.771333 0.875000 0.396333 Ca\n0.271333 0.875000 0.896333 Ca\n0.625000 0.228667 0.103667 Ca\n0.125000 0.021333 0.396333 Ca\n0.123133 0.603110 0.162220 Ca\n0.623133 0.460912 0.520023 Ca\n0.853110 0.873133 0.662220 Ca\n0.353110 0.690890 0.979977 Ca\n0.626867 0.646890 0.337780 Ca\n0.126867 0.789088 0.979977 Ca\n0.896890 0.376867 0.837780 Ca\n0.396890 0.559110 0.520023 Ca\n0.940890 0.103110 0.479977 Ca\n0.440890 0.960912 0.837780 Ca\n0.710912 0.373133 0.020023 Ca\n0.210912 0.190890 0.337780 Ca\n0.809110 0.146890 0.020023 Ca\n0.309110 0.289088 0.662220 Ca\n0.039088 0.876867 0.479977 Ca\n0.539088 0.059110 0.162220 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.886002 0.886002 0.272003 Sb\n0.386002 0.113998 0.000000 Sb\n0.136002 0.636002 0.772003 Sb\n0.636002 0.863998 0.500000 Sb\n0.863998 0.363998 0.227997 Sb\n0.363998 0.136002 0.500000 Sb\n0.613998 0.613998 0.727997 Sb\n0.113998 0.386002 0.000000 Sb\n0.174647 0.818111 0.367104 Sb\n0.674647 0.307542 0.356535 Sb\n0.068111 0.924647 0.867104 Sb\n0.568111 0.701007 0.143465 Sb\n0.575353 0.431889 0.132896 Sb\n0.075353 0.942458 0.143465 Sb\n0.681889 0.325353 0.632896 Sb\n0.181889 0.548993 0.356535 Sb\n0.951007 0.318111 0.643465 Sb\n0.451007 0.807542 0.632896 Sb\n0.557542 0.424647 0.856535 Sb\n0.057542 0.201007 0.132896 Sb\n0.798993 0.931889 0.856535 Sb\n0.298993 0.442458 0.867104 Sb\n0.192458 0.825353 0.643465 Sb\n0.692458 0.048993 0.367104 Sb\n0.957917 0.604561 0.906385 Sb\n0.457917 0.551531 0.353355 Sb\n0.854561 0.707917 0.406385 Sb\n0.354561 0.948176 0.146645 Sb\n0.792083 0.645439 0.593615 Sb\n0.292083 0.698469 0.146645 Sb\n0.895439 0.542083 0.093615 Sb\n0.395439 0.301824 0.353355 Sb\n0.198176 0.104561 0.646645 Sb\n0.698176 0.051531 0.093615 Sb\n0.801531 0.207917 0.853355 Sb\n0.301531 0.448176 0.593615 Sb\n0.551824 0.145439 0.853355 Sb\n0.051824 0.198469 0.406385 Sb\n0.948469 0.042083 0.646645 Sb\n0.448469 0.801824 0.906385 Sb\n0.750000 0.750000 0.000000 Sb\n0.250000 0.250000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 104,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Ca-Mn-Sb",
"density": 4.1305082721752635,
"density_atomic": 0.033074580682110305,
"volume": 3144.408722806651,
"volume_molar": 18.207761476647573,
"formula_full": "Ca56 Mn4 Sb44",
"formula_reduced": "Ca14MnSb11",
"formula_anonymous": "AB11C14",
"energy": -440.28302091,
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"updated_at": "2021-11-28T01:37:00.797000Z",
"spacegroup": 142
},
{
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{
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{
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{
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{
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}
]
}