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"results": [
{
"id": "mp-753850",
"created_at": "2022-09-04T14:42:46.843379Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n1.448721 4.925655 0.000000\n-1.448721 4.925655 0.000000\n0.000000 2.972540 13.664594\nLi Mn O F\n4 5 9 1\ndirect\n0.803284 0.803284 0.394185 Li\n0.607746 0.607746 0.796459 Li\n0.383607 0.383607 0.186066 Li\n0.209723 0.209723 0.601833 Li\n0.909716 0.909716 0.699711 Mn\n0.667798 0.667798 0.103446 Mn\n0.329337 0.329337 0.908935 Mn\n0.510561 0.510561 0.504724 Mn\n0.093226 0.093226 0.303798 Mn\n0.876933 0.876933 0.558160 O\n0.953102 0.953102 0.825565 O\n0.726999 0.726999 0.260926 O\n0.543740 0.543740 0.657491 O\n0.461861 0.461861 0.357495 O\n0.277255 0.277255 0.732468 O\n0.298210 0.298210 0.060536 O\n0.039751 0.039751 0.156819 O\n0.145405 0.145405 0.464441 O\n0.661749 0.661749 0.926942 F\n",
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"density": 3.963182505618185,
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"volume": 195.0183482015113,
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"formula_full": "Li4 Mn5 O9 F1",
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"spacegroup": 8
},
{
"id": "mp-756579",
"created_at": "2022-09-04T14:42:50.356322Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n5.463407 0.000000 0.000000\n0.000000 5.013078 0.000000\n0.000000 4.965768 6.347018\nLi Al Co O\n4 2 2 8\ndirect\n0.335502 0.257378 0.246276 Li\n0.830826 0.506521 0.996157 Li\n0.664498 0.257378 0.746276 Li\n0.169174 0.506521 0.496157 Li\n0.673726 0.751086 0.246416 Al\n0.326274 0.751086 0.746416 Al\n0.166870 0.998951 0.002801 Co\n0.833130 0.998951 0.502801 Co\n0.681707 0.380685 0.261132 O\n0.180848 0.647097 0.977082 O\n0.162699 0.079353 0.515347 O\n0.637978 0.867530 0.731888 O\n0.318293 0.380685 0.761132 O\n0.819152 0.647097 0.477082 O\n0.837301 0.079353 0.015347 O\n0.362022 0.867530 0.231888 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Co-Li-O",
"density": 3.129249704211288,
"density_atomic": 0.09204119231368135,
"volume": 173.83521005976473,
"volume_molar": 6.542875650150445,
"formula_full": "Li4 Al2 Co2 O8",
"formula_reduced": "Li2AlCoO4",
"formula_anonymous": "ABC2D4",
"energy": -106.44657545,
"energy_per_atom": -6.652910965625,
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"energy_uncorrected": -97.67457545,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.092000Z",
"spacegroup": 7
},
{
"id": "mp-1046674",
"created_at": "2022-09-04T14:42:44.815785Z",
"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.309426 3.172154 0.000000\n-4.309426 3.172154 0.000000\n0.000000 2.849358 6.095390\nMg Co Si O\n2 2 2 10\ndirect\n0.820694 0.179306 0.750000 Mg\n0.179306 0.820694 0.250000 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.170924 0.829076 0.750000 Si\n0.829076 0.170924 0.250000 Si\n0.387368 0.837594 0.883764 O\n0.162406 0.612632 0.616236 O\n0.612632 0.162406 0.116236 O\n0.837594 0.387368 0.383764 O\n0.773774 0.859122 0.417216 O\n0.140878 0.226226 0.082784 O\n0.226226 0.140878 0.582784 O\n0.859122 0.773774 0.917216 O\n0.418648 0.581352 0.250000 O\n0.581352 0.418648 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Mg-O-Si",
"density": 3.812728304441409,
"density_atomic": 0.09600963047689975,
"volume": 166.64994876581318,
"volume_molar": 6.27243405696572,
"formula_full": "Mg2 Co2 Si2 O10",
"formula_reduced": "MgCoSiO5",
"formula_anonymous": "ABCD5",
"energy": -114.17011253,
"energy_per_atom": -7.135632033125,
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"updated_at": "2021-11-28T01:35:52.244000Z",
"spacegroup": 15
},
{
"id": "mp-1207744",
"created_at": "2022-09-04T14:42:44.819809Z",
"structure_string": "Y4 Mn4 Cr4 O20\n1.0\n5.816924 0.000000 0.000000\n0.000000 7.250476 0.000000\n0.000000 0.000000 8.636661\nY Mn Cr O\n4 4 4 20\ndirect\n0.500000 0.361524 0.326869 Y\n0.500000 0.638476 0.673131 Y\n0.500000 0.138476 0.826869 Y\n0.500000 0.861524 0.173131 Y\n0.000000 0.093627 0.149558 Mn\n0.000000 0.906373 0.850442 Mn\n0.000000 0.406373 0.649558 Mn\n0.000000 0.593627 0.350442 Mn\n0.248456 0.000000 0.500000 Cr\n0.751544 0.000000 0.500000 Cr\n0.751544 0.500000 0.000000 Cr\n0.248456 0.500000 0.000000 Cr\n0.000000 0.352865 0.077897 O\n0.000000 0.647135 0.922103 O\n0.000000 0.147135 0.577897 O\n0.000000 0.852865 0.422103 O\n0.500000 0.332029 0.055248 O\n0.500000 0.667971 0.944752 O\n0.500000 0.167971 0.555248 O\n0.500000 0.832029 0.444752 O\n0.223932 0.000000 0.000000 O\n0.776068 0.000000 0.000000 O\n0.776068 0.500000 0.500000 O\n0.223932 0.500000 0.500000 O\n0.259338 0.108233 0.288926 O\n0.740662 0.891767 0.711074 O\n0.259338 0.891767 0.711074 O\n0.740662 0.391767 0.788926 O\n0.740662 0.108233 0.288926 O\n0.259338 0.608233 0.211074 O\n0.740662 0.608233 0.211074 O\n0.259338 0.391767 0.788926 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Y",
"density": 5.029859099772433,
"density_atomic": 0.0878504915912798,
"volume": 364.2552183871488,
"volume_molar": 6.854988117787344,
"formula_full": "Y4 Mn4 Cr4 O20",
"formula_reduced": "YMnCrO5",
"formula_anonymous": "ABCD5",
"energy": -285.61210175,
"energy_per_atom": -8.9253781796875,
"energy_above_hull": null,
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"energy_uncorrected": -257.20410175,
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"updated_at": "2021-11-28T01:36:11.922000Z",
"spacegroup": 55
},
{
"id": "mp-1226291",
"created_at": "2022-09-04T14:42:44.220848Z",
"structure_string": "Cr2 Ag2 Sn2 S8\n1.0\n-3.678388 3.788110 5.265035\n3.678388 -3.788110 5.265035\n3.678388 3.788110 -5.265035\nCr Ag Sn S\n2 2 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.884819 0.634819 0.250000 Ag\n0.115181 0.365181 0.750000 Ag\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.730000 0.740012 0.510012 S\n0.730000 0.219988 0.989988 S\n0.718458 0.755039 0.963420 S\n0.291619 0.755039 0.536580 S\n0.270000 0.259988 0.489988 S\n0.270000 0.780012 0.010012 S\n0.281542 0.244961 0.036580 S\n0.708381 0.244961 0.463420 S\n",
"nsites": 14,
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"elements": [
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"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-Cr-S-Sn",
"density": 4.604211671197141,
"density_atomic": 0.04770750044343893,
"volume": 293.45490478165215,
"volume_molar": 12.623048166482187,
"formula_full": "Cr2 Ag2 Sn2 S8",
"formula_reduced": "CrAgSnS4",
"formula_anonymous": "ABCD4",
"energy": -76.73304350000001,
"energy_per_atom": -5.480931678571429,
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"updated_at": "2021-11-28T01:35:54.922000Z",
"spacegroup": 74
},
{
"id": "mp-758072",
"created_at": "2022-09-04T14:42:47.437835Z",
"structure_string": "Li4 Fe4 P8 O28\n1.0\n6.196196 0.000000 0.000000\n0.000000 7.511175 0.000000\n0.000000 5.752168 11.186604\nLi Fe P O\n4 4 8 28\ndirect\n0.116395 0.325472 0.047394 Li\n0.616395 0.674528 0.452606 Li\n0.383605 0.325472 0.547394 Li\n0.883605 0.674528 0.952606 Li\n0.377176 0.207432 0.267697 Fe\n0.122824 0.207432 0.767697 Fe\n0.877176 0.792568 0.232303 Fe\n0.622824 0.792568 0.732303 Fe\n0.112140 0.688759 0.716296 P\n0.648541 0.222872 0.040120 P\n0.148541 0.777128 0.459880 P\n0.612140 0.311241 0.783704 P\n0.387860 0.688759 0.216296 P\n0.851459 0.222872 0.540120 P\n0.351459 0.777128 0.959880 P\n0.887860 0.311241 0.283704 P\n0.789863 0.402420 0.010837 O\n0.683195 0.190760 0.295712 O\n0.033411 0.758377 0.580945 O\n0.065785 0.245546 0.223635 O\n0.293257 0.965731 0.409335 O\n0.640571 0.538415 0.720813 O\n0.440251 0.205748 0.113401 O\n0.140571 0.461585 0.779187 O\n0.533411 0.241623 0.919055 O\n0.940251 0.794252 0.386599 O\n0.793257 0.034269 0.090665 O\n0.710137 0.402420 0.510837 O\n0.565785 0.754454 0.276365 O\n0.816805 0.190760 0.795712 O\n0.183195 0.809240 0.204288 O\n0.434215 0.245546 0.723635 O\n0.289863 0.597580 0.489163 O\n0.206743 0.965731 0.909335 O\n0.059749 0.205748 0.613401 O\n0.466589 0.758377 0.080945 O\n0.859429 0.538415 0.220813 O\n0.559749 0.794252 0.886599 O\n0.359429 0.461585 0.279187 O\n0.706743 0.034269 0.590665 O\n0.934215 0.754454 0.776365 O\n0.966589 0.241623 0.419055 O\n0.316805 0.809240 0.704288 O\n0.210137 0.597580 0.989163 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"O"
],
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"density": 3.020159327190124,
"density_atomic": 0.08451258472514481,
"volume": 520.6325205068399,
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"formula_full": "Li4 Fe4 P8 O28",
"formula_reduced": "LiFeP2O7",
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"energy": -332.10009344,
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"spacegroup": 14
},
{
"id": "mp-1239262",
"created_at": "2022-09-04T14:42:56.783713Z",
"structure_string": "Hf1 Cr1 Ag1 S4\n1.0\n3.598928 0.000000 0.000000\n0.000000 6.109967 0.000000\n0.000000 0.174555 6.552606\nHf Cr Ag S\n1 1 1 4\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.820102 0.218400 S\n0.500000 0.341244 0.210788 S\n0.500000 0.658756 0.789212 S\n0.000000 0.179898 0.781600 S\n",
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],
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"density": 5.377507980851982,
"density_atomic": 0.04858161656625974,
"volume": 144.08742431312066,
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"formula_full": "Hf1 Cr1 Ag1 S4",
"formula_reduced": "HfCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -47.50012418,
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"spacegroup": 10
},
{
"id": "mp-705375",
"created_at": "2022-09-04T14:42:50.224664Z",
"structure_string": "Li2 Ni8 P14 O48\n1.0\n10.304507 0.000000 0.000000\n-2.693981 10.026107 0.000000\n-3.240679 -4.890548 8.885982\nLi Ni P O\n2 8 14 48\ndirect\n0.150972 0.544354 0.577629 Li\n0.849028 0.455646 0.422371 Li\n0.898616 0.502884 0.743885 Ni\n0.380881 0.000622 0.076820 Ni\n0.101384 0.497116 0.256115 Ni\n0.338178 0.492791 0.119826 Ni\n0.170449 0.018922 0.580858 Ni\n0.661822 0.507209 0.880174 Ni\n0.619119 0.999378 0.923180 Ni\n0.829551 0.981078 0.419142 Ni\n0.057931 0.796898 0.735409 P\n0.818695 0.267123 0.877255 P\n0.041166 0.266203 0.751614 P\n0.373718 0.804028 0.566943 P\n0.612326 0.744763 0.479702 P\n0.626282 0.195972 0.433057 P\n0.181305 0.732877 0.122745 P\n0.958834 0.733797 0.248386 P\n0.540971 0.756004 0.052427 P\n0.222594 0.237210 0.225677 P\n0.459029 0.243996 0.947573 P\n0.777406 0.762790 0.774323 P\n0.387674 0.255237 0.520298 P\n0.942069 0.203102 0.264591 P\n0.340609 0.315359 0.399617 O\n0.093712 0.802178 0.212845 O\n0.086820 0.868720 0.641420 O\n0.681886 0.130501 0.831460 O\n0.263679 0.635401 0.476385 O\n0.755636 0.856993 0.506301 O\n0.438154 0.349958 0.077816 O\n0.060785 0.151833 0.212019 O\n0.922592 0.350604 0.045961 O\n0.016889 0.380164 0.696936 O\n0.567144 0.153751 0.266522 O\n0.184749 0.349916 0.896744 O\n0.736321 0.364599 0.523615 O\n0.785502 0.380937 0.824487 O\n0.511693 0.882202 0.019770 O\n0.318114 0.869499 0.168540 O\n0.970032 0.874147 0.374456 O\n0.815251 0.650084 0.103256 O\n0.218116 0.370014 0.197507 O\n0.484646 0.393246 0.670949 O\n0.485885 0.166953 0.472407 O\n0.659391 0.684641 0.600383 O\n0.913180 0.131280 0.358580 O\n0.742693 0.877755 0.874918 O\n0.514115 0.833047 0.527593 O\n0.077408 0.649396 0.954039 O\n0.781884 0.629986 0.802493 O\n0.328364 0.168434 0.792621 O\n0.690851 0.088472 0.463754 O\n0.515354 0.606754 0.329051 O\n0.671636 0.831566 0.207379 O\n0.983111 0.619836 0.303064 O\n0.598021 0.360049 0.960108 O\n0.989975 0.620712 0.643650 O\n0.010025 0.379288 0.356350 O\n0.201358 0.853473 0.875601 O\n0.029968 0.125853 0.625544 O\n0.214498 0.619063 0.175513 O\n0.939215 0.848167 0.787981 O\n0.257307 0.122245 0.125082 O\n0.401979 0.639951 0.039892 O\n0.561846 0.650042 0.922184 O\n0.488307 0.117798 0.980230 O\n0.798642 0.146527 0.124399 O\n0.244364 0.143007 0.493699 O\n0.906288 0.197822 0.787155 O\n0.309149 0.911528 0.536246 O\n0.432856 0.846249 0.733478 O\n",
"nsites": 72,
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"elements": [
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],
"chemical_system": "Li-Ni-O-P",
"density": 3.0478426541986425,
"density_atomic": 0.07842734507490746,
"volume": 918.0471419915008,
"volume_molar": 7.678623768595172,
"formula_full": "Li2 Ni8 P14 O48",
"formula_reduced": "LiNi4P7O24",
"formula_anonymous": "AB4C7D24",
"energy": -519.21399637,
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"spacegroup": 2
},
{
"id": "mp-24091",
"created_at": "2022-09-04T14:42:46.919384Z",
"structure_string": "Ga2 H8 N2 F8\n1.0\n-2.684423 2.684423 6.496400\n2.684423 -2.684423 6.496400\n2.684423 2.684423 -6.496400\nGa H N F\n2 8 2 8\ndirect\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.813145 0.093759 0.500000 H\n0.186855 0.906241 0.500000 H\n0.406241 0.686855 0.500000 H\n0.686855 0.186855 0.280613 H\n0.906241 0.406241 0.719387 H\n0.093759 0.593759 0.280613 H\n0.313145 0.813145 0.719387 H\n0.593759 0.313145 0.500000 H\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.190390 0.690390 0.880781 F\n0.856414 0.856414 0.000000 F\n0.356414 0.356414 0.000000 F\n0.143586 0.143586 0.000000 F\n0.309610 0.190390 0.500000 F\n0.690390 0.809610 0.500000 F\n0.809610 0.309610 0.119219 F\n0.643586 0.643586 0.000000 F\n",
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{
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}