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{
"id": "mp-1227513",
"created_at": "2022-09-04T14:46:23.467147Z",
"structure_string": "Ba1 Ti1 Fe3 Bi3 O12\n1.0\n9.569251 -2.834135 0.000000\n9.569251 2.834135 0.000000\n8.729862 0.000000 4.836568\nBa Ti Fe Bi O\n1 1 3 3 12\ndirect\n0.259356 0.259356 0.259356 Ba\n0.879028 0.879028 0.879028 Ti\n0.385623 0.385623 0.385623 Fe\n0.633597 0.633597 0.633597 Fe\n0.136937 0.136937 0.136937 Fe\n0.743936 0.743936 0.743936 Bi\n0.993015 0.993015 0.993015 Bi\n0.493458 0.493458 0.493458 Bi\n0.800452 0.753988 0.247713 O\n0.350768 0.205843 0.750804 O\n0.753988 0.247713 0.800452 O\n0.205843 0.750804 0.350768 O\n0.247713 0.800452 0.753988 O\n0.750804 0.350768 0.205843 O\n0.073597 0.519349 0.951908 O\n0.583988 0.004884 0.463697 O\n0.519349 0.951908 0.073597 O\n0.004884 0.463697 0.583988 O\n0.951908 0.073597 0.519349 O\n0.463697 0.583988 0.004884 O\n",
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],
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"volume": 262.3407606407354,
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"formula_full": "Ba1 Ti1 Fe3 Bi3 O12",
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"updated_at": "2021-11-28T01:37:31.499000Z",
"spacegroup": 146
},
{
"id": "mp-1210177",
"created_at": "2022-09-04T14:44:14.932018Z",
"structure_string": "Na2 Mn6 Ag2 P6 O24\n1.0\n6.445638 6.080120 0.000000\n-6.445638 6.080120 0.000000\n0.000000 2.834180 6.047088\nNa Mn Ag P O\n2 6 2 6 24\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.267920 0.732080 0.250000 Mn\n0.732080 0.267920 0.750000 Mn\n0.380712 0.062551 0.365136 Mn\n0.619288 0.937449 0.634864 Mn\n0.937449 0.619288 0.134864 Mn\n0.062551 0.380712 0.865136 Mn\n0.988863 0.011137 0.250000 Ag\n0.011137 0.988863 0.750000 Ag\n0.652984 0.874061 0.128056 P\n0.347016 0.125939 0.871944 P\n0.125939 0.347016 0.371944 P\n0.874061 0.652984 0.628056 P\n0.714896 0.285104 0.250000 P\n0.285104 0.714896 0.750000 P\n0.597995 0.952581 0.313382 O\n0.402005 0.047419 0.686618 O\n0.047419 0.402005 0.186618 O\n0.952581 0.597995 0.813382 O\n0.327755 0.998467 0.099819 O\n0.672245 0.001533 0.900181 O\n0.001533 0.672245 0.400181 O\n0.998467 0.327755 0.599819 O\n0.528367 0.727618 0.177185 O\n0.471633 0.272382 0.822815 O\n0.272382 0.471633 0.322815 O\n0.727618 0.528367 0.677185 O\n0.540926 0.263440 0.244436 O\n0.459074 0.736560 0.755564 O\n0.736560 0.459074 0.255564 O\n0.263440 0.540926 0.744436 O\n0.739718 0.172795 0.462503 O\n0.260282 0.827205 0.537497 O\n0.827205 0.260282 0.037497 O\n0.172795 0.739718 0.962503 O\n0.821815 0.826412 0.120501 O\n0.178185 0.173588 0.879499 O\n0.173588 0.178185 0.379499 O\n0.826412 0.821815 0.620501 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Mn",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Mn-Na-O-P",
"density": 4.0680983938780155,
"density_atomic": 0.08439284837317451,
"volume": 473.97381141971954,
"volume_molar": 7.135842522308117,
"formula_full": "Na2 Mn6 Ag2 P6 O24",
"formula_reduced": "NaMn3Ag(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -309.75101805,
"energy_per_atom": -7.74377545125,
"energy_above_hull": null,
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"energy_uncorrected": -283.25501805,
"band_gap": 0.0302000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0007355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.558000Z",
"spacegroup": 15
},
{
"id": "mp-677716",
"created_at": "2022-09-04T14:44:14.632947Z",
"structure_string": "Rb4 Al12 Cd4 Si12 O48\n1.0\n12.297910 0.000000 0.000000\n0.045171 12.324850 0.000000\n0.082374 0.137072 12.389248\nRb Al Cd Si O\n4 12 4 12 48\ndirect\n0.531371 0.031573 0.507202 Rb\n0.028385 0.471483 0.553561 Rb\n0.476967 0.487877 0.024611 Rb\n0.711872 0.668441 0.729190 Rb\n0.625045 0.997012 0.186817 Al\n0.002178 0.360944 0.814439 Al\n0.193615 0.616405 0.010939 Al\n0.985469 0.614712 0.192242 Al\n0.806133 0.622319 0.990944 Al\n0.010040 0.625016 0.813074 Al\n0.358696 0.831642 0.002073 Al\n0.631904 0.826899 0.996416 Al\n0.996730 0.826827 0.367073 Al\n0.005555 0.835969 0.637673 Al\n0.817586 0.005541 0.631686 Al\n0.368771 0.003002 0.811130 Al\n0.189867 0.788818 0.183349 Cd\n0.814816 0.797629 0.196008 Cd\n0.183598 0.795644 0.802272 Cd\n0.850787 0.847472 0.860417 Cd\n0.369249 0.003663 0.189229 Si\n0.183410 0.999440 0.366487 Si\n0.807618 0.001937 0.375228 Si\n0.628736 0.011254 0.812387 Si\n0.375020 0.183344 0.002206 Si\n0.620865 0.186519 0.996778 Si\n0.994394 0.180123 0.369931 Si\n0.010459 0.189733 0.613575 Si\n0.183836 0.362295 0.002470 Si\n0.990717 0.357007 0.174721 Si\n0.817152 0.356606 0.988219 Si\n0.195621 0.011947 0.619055 Si\n0.293603 0.022894 0.297055 O\n0.695482 0.012165 0.308749 O\n0.310427 0.017944 0.681331 O\n0.506205 0.976349 0.783078 O\n0.777411 0.973319 0.499862 O\n0.694452 0.024365 0.699533 O\n0.368824 0.112239 0.114656 O\n0.099267 0.099905 0.353561 O\n0.636273 0.107350 0.099118 O\n0.127800 0.124860 0.619260 O\n0.881773 0.111557 0.366361 O\n0.353192 0.112885 0.896783 O\n0.908731 0.111370 0.635703 O\n0.635500 0.122574 0.882225 O\n0.496904 0.240887 0.997856 O\n0.004418 0.239611 0.487075 O\n0.290200 0.282637 0.015648 O\n0.994876 0.271461 0.276221 O\n0.700962 0.291146 0.998402 O\n0.015048 0.293939 0.689483 O\n0.103020 0.339005 0.106630 O\n0.883665 0.332481 0.101701 O\n0.121364 0.344908 0.891056 O\n0.886879 0.317004 0.886358 O\n0.238731 0.482870 0.013839 O\n0.984579 0.477647 0.224731 O\n0.783268 0.484856 0.977752 O\n0.985153 0.496321 0.770560 O\n0.106421 0.651258 0.121468 O\n0.868493 0.654449 0.114796 O\n0.128653 0.651670 0.889287 O\n0.892563 0.678712 0.884267 O\n0.301980 0.704989 0.032342 O\n0.688053 0.699169 0.969204 O\n0.979139 0.706037 0.299167 O\n0.034755 0.714090 0.703950 O\n0.994972 0.830985 0.502498 O\n0.495490 0.837863 0.994459 O\n0.309375 0.905584 0.120771 O\n0.682955 0.880069 0.120125 O\n0.125141 0.887818 0.318881 O\n0.882002 0.904289 0.318005 O\n0.121996 0.914871 0.676411 O\n0.883496 0.890651 0.696037 O\n0.305041 0.888520 0.879178 O\n0.688492 0.911101 0.886070 O\n0.489780 0.972058 0.229578 O\n0.220731 0.980572 0.491515 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Rb",
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Rb-Si",
"density": 1.9633651138990376,
"density_atomic": 0.04260220596942351,
"volume": 1877.837031664925,
"volume_molar": 14.135748661283444,
"formula_full": "Rb4 Al12 Cd4 Si12 O48",
"formula_reduced": "RbAl3Cd(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -597.20683749,
"energy_per_atom": -7.465085468625,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.580000Z",
"spacegroup": 1
},
{
"id": "mp-768551",
"created_at": "2022-09-04T14:42:44.474525Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.336221 0.000000 0.000000\n4.130782 7.324497 0.000000\n4.071092 2.389115 7.954685\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.070319 0.318577 0.865805 Li\n0.295640 0.743790 0.913752 Li\n0.458240 0.732028 0.599103 Li\n0.541760 0.267972 0.400897 Li\n0.704360 0.256210 0.086248 Li\n0.929681 0.681423 0.134195 Li\n0.864015 0.855842 0.434268 Mn\n0.135985 0.144158 0.565732 Mn\n0.346346 0.334344 0.962975 V\n0.653654 0.665656 0.037025 V\n0.733281 0.467029 0.753947 P\n0.051877 0.730307 0.759143 P\n0.457654 0.043168 0.757918 P\n0.542346 0.956832 0.242082 P\n0.948123 0.269693 0.240857 P\n0.266719 0.532971 0.246053 P\n0.780893 0.483653 0.896990 O\n0.868630 0.269073 0.740297 O\n0.513918 0.488802 0.824272 O\n0.171961 0.510138 0.821017 O\n0.860222 0.771205 0.906087 O\n0.493278 0.834916 0.881195 O\n0.737665 0.634151 0.594689 O\n0.168455 0.837278 0.745091 O\n0.018894 0.775033 0.596691 O\n0.475923 0.165314 0.835155 O\n0.249792 0.126345 0.753542 O\n0.601378 0.044431 0.584626 O\n0.398622 0.955569 0.415374 O\n0.750208 0.873655 0.246458 O\n0.524077 0.834686 0.164845 O\n0.981106 0.224967 0.403309 O\n0.831545 0.162722 0.254909 O\n0.262335 0.365849 0.405311 O\n0.506722 0.165084 0.118805 O\n0.139778 0.228795 0.093913 O\n0.828039 0.489862 0.178983 O\n0.486082 0.511198 0.175728 O\n0.131370 0.730927 0.259703 O\n0.219107 0.516347 0.103010 O\n",
"nsites": 40,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8145048100844474,
"density_atomic": 0.08235500154940506,
"volume": 485.702134022836,
"volume_molar": 7.312416546294759,
"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -304.17263574,
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"updated_at": "2021-11-28T01:35:59.666000Z",
"spacegroup": 2
},
{
"id": "mp-558463",
"created_at": "2022-09-04T14:47:11.142826Z",
"structure_string": "Na4 Te4 H48 C12 O12\n1.0\n4.295697 -7.440365 0.000000\n4.295697 7.440365 0.000000\n0.000000 0.000000 13.713291\nNa Te H C O\n4 4 48 12 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.851558 Te\n0.666667 0.333333 0.148442 Te\n0.333333 0.666667 0.648442 Te\n0.666667 0.333333 0.351558 Te\n0.691085 0.546230 0.549543 H\n0.308915 0.453770 0.450457 H\n0.144855 0.453770 0.049543 H\n0.639985 0.908853 0.104299 H\n0.360015 0.091147 0.895701 H\n0.546230 0.855145 0.450457 H\n0.144855 0.691085 0.450457 H\n0.287938 0.822534 0.178979 H\n0.177466 0.465403 0.178979 H\n0.731132 0.639985 0.895701 H\n0.177466 0.712062 0.321021 H\n0.465403 0.287938 0.821021 H\n0.091147 0.731132 0.104299 H\n0.908853 0.639985 0.604299 H\n0.731132 0.091147 0.604299 H\n0.268868 0.360015 0.104299 H\n0.453770 0.144855 0.549543 H\n0.712062 0.534597 0.678979 H\n0.360015 0.268868 0.604299 H\n0.534597 0.712062 0.178979 H\n0.691085 0.144855 0.950457 H\n0.767733 0.108127 0.368560 H\n0.659606 0.891873 0.868560 H\n0.534597 0.822534 0.321021 H\n0.340394 0.108127 0.131440 H\n0.340394 0.232267 0.368560 H\n0.891873 0.659606 0.368560 H\n0.268868 0.908853 0.395701 H\n0.091147 0.360015 0.395701 H\n0.108127 0.767733 0.868560 H\n0.232267 0.891873 0.631440 H\n0.891873 0.232267 0.131440 H\n0.855145 0.308915 0.549543 H\n0.465403 0.177466 0.678979 H\n0.822534 0.287938 0.678979 H\n0.308915 0.855145 0.049543 H\n0.767733 0.659606 0.131440 H\n0.855145 0.546230 0.950457 H\n0.232267 0.340394 0.868560 H\n0.659606 0.767733 0.631440 H\n0.453770 0.308915 0.950457 H\n0.287938 0.465403 0.321021 H\n0.108127 0.340394 0.631440 H\n0.822534 0.534597 0.821021 H\n0.639985 0.731132 0.395701 H\n0.546230 0.691085 0.049543 H\n0.712062 0.177466 0.821021 H\n0.908853 0.268868 0.895701 H\n0.381851 0.154288 0.613782 C\n0.772437 0.618149 0.613782 C\n0.227563 0.845712 0.113782 C\n0.154288 0.381851 0.113782 C\n0.618149 0.845712 0.386218 C\n0.154288 0.772437 0.386218 C\n0.227563 0.381851 0.386218 C\n0.381851 0.227563 0.886218 C\n0.772437 0.154288 0.886218 C\n0.845712 0.227563 0.613782 C\n0.845712 0.618149 0.886218 C\n0.618149 0.772437 0.113782 C\n0.208782 0.994838 0.624633 O\n0.791218 0.786056 0.124633 O\n0.005162 0.791218 0.875367 O\n0.994838 0.208782 0.124633 O\n0.786056 0.791218 0.624633 O\n0.786056 0.994838 0.875367 O\n0.213944 0.208782 0.375367 O\n0.213944 0.005162 0.124633 O\n0.005162 0.213944 0.624633 O\n0.208782 0.213944 0.875367 O\n0.791218 0.005162 0.375367 O\n0.994838 0.786056 0.375367 O\n",
"nsites": 80,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O-Te",
"density": 1.8694148544195834,
"density_atomic": 0.0912620915471573,
"volume": 876.5961709157422,
"volume_molar": 6.598731913664523,
"formula_full": "Na4 Te4 H48 C12 O12",
"formula_reduced": "NaTeH12(CO)3",
"formula_anonymous": "ABC3D3E12",
"energy": -401.36772892,
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"updated_at": "2021-11-28T01:37:59.508000Z",
"spacegroup": 163
},
{
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.652734 0.000000 0.000000\n-0.805894 8.619329 0.000000\n-3.423986 -3.783705 11.580218\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.999400 0.003829 0.123799 Li\n0.995620 0.003312 0.625964 Li\n0.711788 0.289726 0.374044 Li\n0.499717 0.498847 0.250228 Li\n0.712904 0.289041 0.875903 Li\n0.499465 0.499804 0.499559 Li\n0.288352 0.711715 0.123675 Li\n0.500525 0.502639 0.751164 Li\n0.498648 0.499979 0.999295 Li\n0.289084 0.711461 0.625570 Li\n0.006716 0.996331 0.373489 Li\n0.002792 0.996759 0.875689 Li\n0.371324 0.057648 0.065373 Mn\n0.630280 0.941283 0.935086 Mn\n0.056990 0.373232 0.315090 Mn\n0.057207 0.375562 0.815295 Mn\n0.942219 0.621917 0.179913 V\n0.942952 0.623188 0.679759 V\n0.621456 0.942635 0.429966 V\n0.380347 0.055626 0.570552 V\n0.711256 0.284691 0.124816 P\n0.860196 0.665835 0.431660 P\n0.665654 0.859118 0.180924 P\n0.714305 0.287917 0.625056 P\n0.865420 0.664900 0.932122 P\n0.660827 0.861236 0.682952 P\n0.339765 0.133687 0.316549 P\n0.133470 0.339846 0.067139 P\n0.284467 0.711832 0.374548 P\n0.334485 0.135752 0.818616 P\n0.139100 0.338761 0.567760 P\n0.287789 0.715445 0.875052 P\n0.989141 0.656213 0.044993 O\n0.945662 0.615009 0.336420 O\n0.737215 0.173557 0.013760 O\n0.986925 0.661561 0.544430 O\n0.827559 0.261807 0.236058 O\n0.849247 0.840083 0.199281 O\n0.734515 0.460129 0.115794 O\n0.840161 0.849605 0.451473 O\n0.947961 0.609706 0.835476 O\n0.740867 0.173008 0.516485 O\n0.827021 0.264609 0.736907 O\n0.843271 0.842627 0.695993 O\n0.702299 0.545562 0.397741 O\n0.613906 0.946455 0.086252 O\n0.661818 0.985112 0.294369 O\n0.537368 0.258223 0.136594 O\n0.736735 0.462618 0.614714 O\n0.546025 0.701156 0.147382 O\n0.855885 0.850065 0.952608 O\n0.704296 0.548996 0.898578 O\n0.601466 0.951565 0.589690 O\n0.453782 0.295983 0.352095 O\n0.662891 0.984984 0.799479 O\n0.538458 0.262063 0.634049 O\n0.461591 0.735559 0.367636 O\n0.342299 0.012311 0.200409 O\n0.542972 0.701862 0.647426 O\n0.402782 0.046493 0.411236 O\n0.295763 0.453329 0.102372 O\n0.143247 0.157101 0.055054 O\n0.450311 0.296802 0.852259 O\n0.258500 0.536044 0.384562 O\n0.463005 0.738965 0.864993 O\n0.344383 0.011724 0.706095 O\n0.391212 0.052425 0.915387 O\n0.298307 0.456465 0.602906 O\n0.156117 0.143681 0.302527 O\n0.174347 0.739487 0.265038 O\n0.259481 0.827121 0.484033 O\n0.045499 0.404850 0.162637 O\n0.158488 0.156751 0.555667 O\n0.260913 0.539399 0.884698 O\n0.149603 0.145763 0.798845 O\n0.173990 0.743273 0.766528 O\n0.014215 0.336581 0.451997 O\n0.263833 0.827551 0.987201 O\n0.048537 0.401141 0.661817 O\n0.011611 0.341074 0.951445 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.1656176329479555,
"density_atomic": 0.0926288859525632,
"volume": 863.6614720916468,
"volume_molar": 6.501363692405886,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.35824788,
"energy_per_atom": -7.5919780985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -560.91024788,
"band_gap": 0.3859999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.856000Z",
"spacegroup": 1
},
{
"id": "mp-1177614",
"created_at": "2022-09-04T14:48:31.242871Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.794121 0.000000 0.000000\n0.303923 9.821671 0.000000\n0.805964 0.787677 9.839046\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.249575 0.513143 0.980787 Li\n0.387691 0.259157 0.009149 Li\n0.475116 0.569031 0.770688 Li\n0.176104 0.731868 0.776401 Li\n0.612151 0.968960 0.753418 Li\n0.832622 0.746516 0.621082 Li\n0.733695 0.015821 0.489455 Li\n0.533132 0.233296 0.439669 Li\n0.975447 0.916673 0.312792 Li\n0.824521 0.225814 0.268186 Li\n0.183102 0.375558 0.246204 Li\n0.016023 0.671876 0.087953 Li\n0.994285 0.468578 0.523639 Mn\n0.510115 0.533110 0.469390 Mn\n0.492909 0.756445 0.249585 Mn\n0.720177 0.741308 0.028634 Mn\n0.786967 0.250562 0.970390 V\n0.006140 0.249960 0.748582 V\n0.219962 0.026787 0.751248 V\n0.276754 0.967120 0.252249 V\n0.404920 0.823513 0.950267 P\n0.897841 0.947086 0.826095 P\n0.934152 0.550888 0.842546 P\n0.307648 0.343246 0.679458 P\n0.701937 0.327081 0.661237 P\n0.424105 0.838497 0.555602 P\n0.066608 0.150012 0.450629 P\n0.797710 0.678024 0.347261 P\n0.195088 0.650157 0.312439 P\n0.578432 0.447107 0.158588 P\n0.590102 0.054505 0.185942 P\n0.097703 0.172713 0.051607 P\n0.853117 0.874953 0.967859 O\n0.562880 0.827024 0.916888 O\n0.796055 0.608426 0.899337 O\n0.343566 0.959054 0.887777 O\n0.343428 0.696053 0.901298 O\n0.930835 0.389386 0.874574 O\n0.058777 0.602030 0.907948 O\n0.124640 0.161694 0.892298 O\n0.874682 0.106077 0.836172 O\n0.676242 0.305939 0.818415 O\n0.052768 0.910071 0.798596 O\n0.356672 0.408182 0.801767 O\n0.810288 0.908147 0.714959 O\n0.946920 0.590093 0.686510 O\n0.329774 0.185597 0.686278 O\n0.149759 0.379140 0.671319 O\n0.286676 0.874853 0.636135 O\n0.547601 0.914380 0.591554 O\n0.867644 0.333531 0.622340 O\n0.639880 0.468057 0.619584 O\n0.441398 0.678891 0.588485 O\n0.654852 0.207417 0.589229 O\n0.073403 0.120702 0.609993 O\n0.382864 0.392827 0.539567 O\n0.841332 0.797487 0.423714 O\n0.133312 0.591746 0.452763 O\n0.854912 0.538318 0.398412 O\n0.405467 0.873359 0.399426 O\n0.634348 0.670935 0.374629 O\n0.936205 0.090319 0.404348 O\n0.072131 0.306239 0.409475 O\n0.199062 0.081228 0.389784 O\n0.354918 0.628187 0.319269 O\n0.151726 0.804438 0.293509 O\n0.560056 0.416466 0.317987 O\n0.648625 0.109632 0.309671 O\n0.839280 0.703655 0.192457 O\n0.620308 0.894639 0.187038 O\n0.151982 0.573086 0.194535 O\n0.433028 0.087147 0.180950 O\n0.590817 0.609031 0.122078 O\n0.369966 0.829541 0.109578 O\n0.716312 0.376377 0.115692 O\n0.942512 0.205573 0.091059 O\n0.454239 0.405513 0.091676 O\n0.131434 0.033601 0.125803 O\n0.190098 0.287325 0.083626 O\n0.660476 0.112027 0.049666 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8886715492142545,
"density_atomic": 0.08452518860826685,
"volume": 946.4634308094962,
"volume_molar": 7.124670005659134,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.93067615,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:39:59.678000Z",
"spacegroup": 1
}
]
}