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{
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"results": [
{
"id": "jvasp-34813",
"created_at": "2022-09-04T14:37:11.890048Z",
"updated_at": "2022-09-04T14:37:11.890064Z",
"structure_string": "Li2 Mn4 O8\n1.0\n4.971963 -0.000000 2.870565\n1.657321 4.687612 2.870565\n-0.000000 -0.000000 5.741129\nLi Mn O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.874999 0.875000 0.874999 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.262316 0.262317 0.713049 O\n0.737683 0.737683 0.737683 O\n0.737683 0.737683 0.286950 O\n0.262316 0.713049 0.262316 O\n0.262316 0.262317 0.262316 O\n0.286951 0.737683 0.737683 O\n0.737683 0.286951 0.737683 O\n0.713049 0.262317 0.262316 O\n",
"nsites": 14,
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"elements": [
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"Mn",
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],
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"density": 4.487825412956823,
"density_atomic": 0.10462878567404885,
"volume": 133.80638903345726,
"volume_molar": 5.755720781048571,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-57303",
"created_at": "2022-09-04T14:37:11.514771Z",
"updated_at": "2022-09-04T14:37:11.514800Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.025583 -0.000000 -2.621439\n-1.367392 4.835983 -2.621439\n0.007564 0.009999 6.142515\nLi Mn O\n4 4 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 -0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.253261 0.771778 0.506521 O\n0.234743 0.253261 0.006521 O\n0.746738 0.228222 0.493479 O\n0.746738 0.765257 0.493479 O\n0.228221 0.746739 0.993479 O\n0.765256 0.746739 0.993479 O\n0.771777 0.253261 0.006521 O\n0.253261 0.234743 0.506521 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.169548055685348,
"density_atomic": 0.10698841800469036,
"volume": 149.5488978937754,
"volume_molar": 5.6287782101198935,
"formula_full": "Li4 Mn4 O8",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9371685603448277,
"spacegroup": 141
},
{
"id": "jvasp-47888",
"created_at": "2022-09-04T14:36:48.699816Z",
"updated_at": "2022-09-04T14:36:48.699838Z",
"structure_string": "Li2 Mn4 O8\n1.0\n2.680792 -3.039689 4.021673\n-2.680792 3.039689 4.021673\n-3.072281 -2.643455 4.021673\nLi Mn O\n2 4 8\ndirect\n0.500000 -0.000001 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.242338 0.761525 0.019179 O\n0.240749 0.214194 0.026562 O\n0.240756 0.767310 0.473438 O\n0.219295 0.238483 0.519180 O\n0.780704 0.761515 0.480821 O\n0.759243 0.232688 0.526562 O\n0.759250 0.785804 0.973439 O\n0.757662 0.238474 -0.019179 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.54529319244131,
"density_atomic": 0.10596858467012531,
"volume": 132.11462664695648,
"volume_molar": 5.682949129448706,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.787596926108374,
"spacegroup": 74
},
{
"id": "jvasp-102842",
"created_at": "2022-09-04T14:36:50.050111Z",
"updated_at": "2022-09-04T14:36:50.050134Z",
"structure_string": "Li3 Mn1 O4\n1.0\n2.380715 -0.004547 4.303599\n-0.072649 2.822097 9.543026\n-0.067653 -0.019680 9.537328\nLi Mn O\n3 1 4\ndirect\n0.998150 0.004494 -0.004529 Li\n0.998148 0.504464 0.995510 Li\n0.498151 0.004530 0.495439 Li\n0.498130 0.504445 0.495533 Mn\n0.271289 0.004527 0.222268 O\n0.178402 0.504511 0.268716 O\n0.724967 0.004499 0.768652 O\n0.817877 0.504519 0.722193 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.5511335547464036,
"density_atomic": 0.12241347149083968,
"volume": 65.35228437336366,
"volume_molar": 4.919508193549305,
"formula_full": "Li3 Mn1 O4",
"formula_reduced": "Li3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.069460155172414,
"spacegroup": 65
},
{
"id": "jvasp-7854",
"created_at": "2022-09-04T14:36:36.270542Z",
"updated_at": "2022-09-04T14:36:36.270565Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.815196 0.000000 0.000000\n0.000000 4.668048 0.000000\n0.000000 0.000000 5.713332\nLi Mn O\n2 2 4\ndirect\n0.500001 0.500000 0.878622 Li\n0.000000 0.000000 0.121378 Li\n0.500001 0.500000 0.362681 Mn\n0.000000 0.000000 0.637318 Mn\n0.500001 0.000000 0.862874 O\n0.000000 0.500000 0.600284 O\n0.500001 0.000000 0.399716 O\n0.000000 0.500000 0.137126 O\n",
"nsites": 8,
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"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-O",
"density": 4.152491894588617,
"density_atomic": 0.10655076584944435,
"volume": 75.08158140603096,
"volume_molar": 5.651898146381465,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9379560603448276,
"spacegroup": 59
},
{
"id": "jvasp-118988",
"created_at": "2022-09-04T14:38:31.735106Z",
"updated_at": "2022-09-04T14:38:31.735132Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.941592 -0.018723 0.331105\n0.671448 7.599524 1.247179\n-0.060814 0.015378 11.119804\nLi Mn O\n8 6 14\ndirect\n0.640833 0.163246 0.934312 Li\n0.860598 0.576947 0.199928 Li\n0.000001 0.000000 0.500000 Li\n0.139404 0.423053 0.800072 Li\n0.359168 0.836754 0.065688 Li\n0.429514 0.286499 0.355135 Li\n0.570487 0.713501 0.644865 Li\n0.500000 0.500000 0.000000 Li\n0.612240 0.935326 0.284048 Mn\n0.387761 0.064674 0.715952 Mn\n0.788340 0.357476 0.573933 Mn\n0.035546 0.226388 0.138124 Mn\n0.964456 0.773612 0.861876 Mn\n0.211662 0.642524 0.426068 Mn\n0.598890 0.056897 0.117857 O\n0.517930 0.627317 0.826451 O\n0.427945 0.175723 0.546413 O\n0.270580 0.747944 0.255064 O\n0.084314 0.310414 0.976292 O\n0.148732 0.539713 0.598237 O\n-0.012205 0.108506 0.312058 O\n0.729421 0.252056 0.744936 O\n0.572056 0.824277 0.453587 O\n0.482071 0.372683 0.173549 O\n0.401112 0.943103 0.882143 O\n0.851269 0.460287 0.401763 O\n0.915687 0.689586 0.023708 O\n0.012207 0.891494 0.687942 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.065225177389606,
"density_atomic": 0.11253064562768636,
"volume": 248.8211086306169,
"volume_molar": 5.351556215117235,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.709439016009852,
"spacegroup": 2
},
{
"id": "jvasp-117312",
"created_at": "2022-09-04T14:38:26.163670Z",
"updated_at": "2022-09-04T14:38:26.163696Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.930268 -0.006180 0.283286\n0.380612 5.893744 0.691173\n0.002789 0.010439 14.320951\nLi Mn O\n8 6 14\ndirect\n0.909412 0.199426 0.629814 Li\n0.500000 0.500000 0.500000 Li\n0.090588 0.800574 0.370186 Li\n0.360297 0.927560 0.782317 Li\n0.791862 0.643623 0.927351 Li\n0.208138 0.356376 0.072649 Li\n0.639703 0.072439 0.217683 Li\n0.500001 0.000000 0.500000 Li\n0.792986 0.143552 0.927226 Mn\n0.207015 0.856448 0.072774 Mn\n0.382409 0.435274 0.782935 Mn\n0.049351 0.274253 0.365027 Mn\n0.950649 0.725746 0.634973 Mn\n0.617592 0.564726 0.217065 Mn\n0.335612 0.391489 0.920864 O\n0.911198 0.672378 0.778421 O\n0.526348 0.507564 0.353200 O\n-0.002991 0.254336 0.490850 O\n0.423116 0.937735 0.641606 O\n0.088802 0.327621 0.221579 O\n0.664389 0.608511 0.079136 O\n0.840886 0.185378 0.789643 O\n0.576884 0.062265 0.358394 O\n0.002991 0.745664 0.509150 O\n0.473653 0.492435 0.646800 O\n0.751830 0.106289 0.064891 O\n0.248171 0.893711 0.935109 O\n0.159114 0.814621 0.210357 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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],
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"density": 4.08964446953223,
"density_atomic": 0.11320660294632745,
"volume": 247.33539626902436,
"volume_molar": 5.319602040223014,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.710061873152709,
"spacegroup": 2
},
{
"id": "jvasp-117410",
"created_at": "2022-09-04T14:38:26.556313Z",
"updated_at": "2022-09-04T14:38:26.556339Z",
"structure_string": "Li6 Mn1 O6\n1.0\n4.870734 0.011044 -2.803043\n1.623674 4.308862 -2.795050\n-0.007655 -0.016971 5.619784\nLi Mn O\n6 1 6\ndirect\n0.283499 0.289602 0.495371 Li\n0.077688 0.710314 0.283452 Li\n0.495449 0.710241 0.922259 Li\n0.504551 0.289758 0.077739 Li\n0.922311 0.289684 0.716547 Li\n0.716501 0.710397 0.504628 Li\n0.000000 0.000000 0.000000 Mn\n0.095246 0.758059 0.651584 O\n0.201703 0.241919 0.095210 O\n0.651613 0.241881 0.798269 O\n0.348387 0.758118 0.201729 O\n0.798296 0.758080 0.904789 O\n0.904753 0.241940 0.348415 O\n",
"nsites": 13,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7193400509947505,
"density_atomic": 0.1105466504513053,
"volume": 117.59741201499698,
"volume_molar": 5.447601293584823,
"formula_full": "Li6 Mn1 O6",
"formula_reduced": "Li6MnO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.013189095490716,
"spacegroup": 148
},
{
"id": "jvasp-110322",
"created_at": "2022-09-04T14:38:18.529821Z",
"updated_at": "2022-09-04T14:38:18.529837Z",
"structure_string": "Li2 Mn2 O4\n1.0\n3.078567 0.022441 0.191683\n0.562082 4.815946 -1.374402\n0.026026 0.005264 5.047122\nLi Mn O\n2 2 4\ndirect\n1.000000 0.499999 0.499999 Li\n0.500000 0.999999 0.500000 Li\n0.500000 0.500002 -0.000000 Mn\n0.000003 0.000001 0.000001 Mn\n0.531337 0.255532 0.235089 O\n0.031336 0.755532 0.235093 O\n0.468665 0.744466 0.764909 O\n0.968665 0.244467 0.764906 O\n",
"nsites": 8,
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],
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"density": 4.170127885452788,
"density_atomic": 0.10700329613265579,
"volume": 74.76405203520194,
"volume_molar": 5.627995564299382,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9313260603448277,
"spacegroup": 12
},
{
"id": "jvasp-48280",
"created_at": "2022-09-04T14:35:53.980678Z",
"updated_at": "2022-09-04T14:35:53.980702Z",
"structure_string": "Li3 Mn4 O8\n1.0\n2.644416 -3.044373 4.032507\n-2.660492 3.053613 4.050035\n-3.345269 -2.906121 4.043642\nLi Mn O\n3 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000001 Mn\n0.257398 0.779974 0.991361 O\n0.257398 0.228665 0.991361 O\n0.262838 0.780226 0.439546 O\n0.232499 0.256929 0.486141 O\n0.767501 0.743071 0.513858 O\n0.737163 0.219774 0.560453 O\n0.742603 0.771335 0.008638 O\n0.742603 0.220026 0.008638 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.23128855936832,
"density_atomic": 0.10370372943221648,
"volume": 144.6428212574978,
"volume_molar": 5.80706286357448,
"formula_full": "Li3 Mn4 O8",
"formula_reduced": "Li3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.0432137977011493,
"spacegroup": 12
},
{
"id": "jvasp-48233",
"created_at": "2022-09-04T14:35:55.588461Z",
"updated_at": "2022-09-04T14:35:55.588488Z",
"structure_string": "Li4 Mn5 O10\n1.0\n-5.033852 -0.250445 -0.707174\n0.566796 4.864255 0.019543\n-1.270198 -2.288635 -7.009651\nLi Mn O\n4 5 10\ndirect\n0.487348 0.887073 0.295194 Li\n0.487366 0.288450 0.098832 Li\n0.485383 0.505905 0.525845 Li\n0.485363 0.104585 0.722217 Li\n0.983703 -0.010037 0.008970 Mn\n-0.010104 0.594077 0.209435 Mn\n0.982800 0.798898 0.611626 Mn\n0.986357 0.196487 0.410523 Mn\n0.988993 0.403014 0.812078 Mn\n0.206906 0.750452 0.762890 O\n0.767545 0.445284 0.651866 O\n0.213970 0.546297 0.367415 O\n0.759568 0.245707 0.255405 O\n0.765789 0.642522 0.058167 O\n0.758734 0.846683 0.453638 O\n0.205162 0.947679 0.169175 O\n0.213134 0.147275 0.565651 O\n0.205695 0.336711 -0.032714 O\n0.766997 0.056266 0.853769 O\n",
"nsites": 19,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.5990560008773445,
"density_atomic": 0.11379156868632545,
"volume": 166.97194897079635,
"volume_molar": 5.292255682493015,
"formula_full": "Li4 Mn5 O10",
"formula_reduced": "Li4Mn5O10",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 3.085177958257713,
"spacegroup": 2
},
{
"id": "jvasp-119720",
"created_at": "2022-09-04T14:38:52.288574Z",
"updated_at": "2022-09-04T14:38:52.288602Z",
"structure_string": "Li3 Mn5 O10\n1.0\n4.832032 0.005602 -1.007277\n-1.263590 4.623557 -1.804314\n0.051090 -0.035582 7.648920\nLi Mn O\n3 5 10\ndirect\n0.223755 0.927330 0.424302 Li\n0.500000 0.500000 0.500001 Li\n0.776243 0.072669 0.575697 Li\n0.107435 0.695817 0.692384 Mn\n-0.000001 0.500000 -0.000001 Mn\n0.692441 0.883796 0.895288 Mn\n0.307558 0.116206 0.104714 Mn\n0.892566 0.304185 0.307617 Mn\n0.658509 0.264845 0.055137 O\n0.779355 0.530195 0.762408 O\n0.545096 0.126302 0.334856 O\n0.454906 0.873701 0.665144 O\n0.036429 0.069258 0.855336 O\n0.341491 0.735154 0.944862 O\n0.119025 0.317433 0.539086 O\n0.880975 0.682566 0.460913 O\n0.220644 0.469804 0.237593 O\n0.963571 0.930744 0.144666 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.427930297228675,
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"volume": 170.82191711654968,
"volume_molar": 5.71507572093842,
"formula_full": "Li3 Mn5 O10",
"formula_reduced": "Li3Mn5O10",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 3.199708400383142,
"spacegroup": 2
}
]
}