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{
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"results": [
{
"id": "mp-1175590",
"created_at": "2022-09-04T14:41:12.823228Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.900349 0.000000 0.000000\n-2.601755 -5.900219 0.000000\n-2.834821 0.124139 -8.104509\nLi Mn Co O\n9 2 5 16\ndirect\n0.742724 0.747671 0.248309 Li\n0.264143 0.005117 0.495898 Li\n0.259454 0.754176 0.251859 Li\n0.733619 0.005312 0.490170 Li\n0.747398 0.250714 0.748989 Li\n0.250981 0.249058 0.750820 Li\n0.252016 0.496050 0.009723 Li\n0.753227 0.496759 0.004433 Li\n0.500536 0.248511 0.251593 Li\n0.008032 0.005039 0.000748 Mn\n0.497513 0.496012 0.495961 Mn\n0.991053 0.492976 0.497883 Co\n0.501381 0.751643 0.749817 Co\n0.503016 0.002657 0.003736 Co\n0.001167 0.249337 0.249297 Co\n0.996326 0.748433 0.749863 Co\n0.104985 0.010534 0.236377 O\n0.619833 0.264169 0.503325 O\n0.621530 0.005919 0.231904 O\n0.146693 0.275694 0.492987 O\n0.109919 0.515950 0.735121 O\n0.607368 0.511814 0.740524 O\n0.645824 0.778560 0.988640 O\n0.108966 0.757820 0.988939 O\n0.385656 0.501383 0.265629 O\n0.852520 0.720822 0.509507 O\n0.896935 0.485376 0.266839 O\n0.385237 0.740784 0.512929 O\n0.384800 0.983159 0.764395 O\n0.889750 0.988479 0.759167 O\n0.890510 0.242812 0.005996 O\n0.346884 0.217260 0.998622 O\n",
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"elements": [
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"Mn",
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"O"
],
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"density": 4.255158420613643,
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"volume": 282.1451187399965,
"volume_molar": 5.309742561872415,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:35:16.694000Z",
"spacegroup": 1
},
{
"id": "mp-1174999",
"created_at": "2022-09-04T14:44:21.779556Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.983757 0.000000 0.000000\n-2.332406 -4.404357 0.000000\n-1.838576 0.292776 -9.640439\nLi Mn Co O\n7 2 3 12\ndirect\n0.753638 0.998000 0.251687 Li\n0.583252 0.658941 0.747511 Li\n0.420630 0.340714 0.256065 Li\n0.078647 0.661298 0.251515 Li\n0.917503 0.341256 0.748160 Li\n0.246074 0.998770 0.744868 Li\n0.833347 0.667167 0.500043 Li\n0.998768 0.998686 0.999415 Mn\n0.500930 0.998512 0.500070 Mn\n0.666674 0.334495 0.000464 Co\n0.334537 0.667148 0.999985 Co\n0.166242 0.333132 0.499960 Co\n0.015797 0.317525 0.114832 O\n0.884930 0.037222 0.610311 O\n0.681879 0.641442 0.118558 O\n0.354825 0.976292 0.114892 O\n0.236097 0.674410 0.609662 O\n0.512915 0.312537 0.612193 O\n0.426634 0.651822 0.390253 O\n0.322510 0.361340 0.886517 O\n0.150307 0.024332 0.387243 O\n0.788951 0.300578 0.390442 O\n0.643900 0.021079 0.884100 O\n0.981012 0.683303 0.881254 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.137461942252845,
"density_atomic": 0.11341619110470207,
"volume": 211.6099982395282,
"volume_molar": 5.309771648424129,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -155.22139178,
"energy_per_atom": -6.467557990833334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:26.455000Z",
"spacegroup": 1
},
{
"id": "mp-4644",
"created_at": "2022-09-04T14:39:23.248389Z",
"structure_string": "Si16 N16 O8\n1.0\n-2.747253 2.747253 11.683039\n2.747253 -2.747253 11.683039\n2.747253 2.747253 -11.683039\nSi N O\n16 16 8\ndirect\n0.706923 0.957190 0.250266 Si\n0.543343 0.293077 0.250266 Si\n0.042810 0.293077 0.749734 Si\n0.043077 0.793343 0.750266 Si\n0.043077 0.292810 0.249734 Si\n0.707190 0.956923 0.750266 Si\n0.206657 0.956923 0.249734 Si\n0.706923 0.456657 0.749734 Si\n0.918867 0.418867 0.500000 Si\n0.168867 0.168867 0.000000 Si\n0.831133 0.831133 0.000000 Si\n0.581133 0.081133 0.500000 Si\n0.375000 0.625000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.875000 0.625000 0.250000 Si\n0.375000 0.125000 0.750000 Si\n0.124509 0.387382 0.262873 N\n0.137382 0.374509 0.762873 N\n0.611636 0.374509 0.237127 N\n0.625491 0.388364 0.762873 N\n0.124509 0.861636 0.737127 N\n0.138364 0.875491 0.262873 N\n0.612618 0.875491 0.737127 N\n0.625491 0.862618 0.237127 N\n0.787750 0.050921 0.263171 N\n0.475421 0.212250 0.263171 N\n0.949079 0.212250 0.736829 N\n0.962250 0.725421 0.763171 N\n0.962250 0.199079 0.236829 N\n0.800921 0.037750 0.763171 N\n0.274579 0.037750 0.236829 N\n0.787750 0.524579 0.736829 N\n0.451450 0.166586 0.715136 O\n0.916586 0.701450 0.215136 O\n0.486314 0.701450 0.784864 O\n0.298550 0.513686 0.215136 O\n0.451450 0.736314 0.284864 O\n0.263686 0.548550 0.715136 O\n0.833414 0.548550 0.284864 O\n0.298550 0.083414 0.784864 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 3.7733184111499214,
"density_atomic": 0.11340882763529193,
"volume": 352.7062296123438,
"volume_molar": 5.3101164041360365,
"formula_full": "Si16 N16 O8",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy": -328.99283841,
"energy_per_atom": -8.22482096025,
"energy_above_hull": null,
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"energy_uncorrected": -317.72083841,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.774000Z",
"spacegroup": 141
},
{
"id": "mp-850378",
"created_at": "2022-09-04T14:43:49.327847Z",
"structure_string": "H44 S8 N12 O28\n1.0\n6.154737 0.000000 0.000000\n0.000000 9.953539 0.000000\n0.000000 0.000000 13.242838\nH S N O\n44 8 12 28\ndirect\n0.716999 0.051848 0.354506 H\n0.681264 0.017707 0.977564 H\n0.033758 0.071116 0.617697 H\n0.178939 0.062642 0.322236 H\n0.307778 0.088652 0.588610 H\n0.703538 0.080477 0.094286 H\n0.231538 0.134293 0.206598 H\n0.834383 0.159459 0.999877 H\n0.563224 0.168755 0.006011 H\n0.363328 0.185995 0.312415 H\n0.101092 0.222912 0.295562 H\n0.601092 0.277088 0.795562 H\n0.863328 0.314005 0.812415 H\n0.063224 0.331245 0.506011 H\n0.334383 0.340541 0.499877 H\n0.731538 0.365707 0.706598 H\n0.203538 0.419523 0.594286 H\n0.807778 0.411348 0.088610 H\n0.678939 0.437358 0.822236 H\n0.533758 0.428884 0.117697 H\n0.181264 0.482293 0.477564 H\n0.216999 0.448152 0.854506 H\n0.716999 0.551848 0.145494 H\n0.681264 0.517707 0.522436 H\n0.033758 0.571116 0.882303 H\n0.178939 0.562642 0.177764 H\n0.307778 0.588652 0.911390 H\n0.703538 0.580477 0.405714 H\n0.231538 0.634293 0.293402 H\n0.834383 0.659459 0.500123 H\n0.563224 0.668755 0.493989 H\n0.363328 0.685995 0.187585 H\n0.101092 0.722912 0.204438 H\n0.601092 0.777088 0.704438 H\n0.863328 0.814005 0.687585 H\n0.063224 0.831245 0.993989 H\n0.334383 0.840541 0.000123 H\n0.731538 0.865707 0.793402 H\n0.203538 0.919523 0.905714 H\n0.807778 0.911348 0.411390 H\n0.678939 0.937358 0.677764 H\n0.533758 0.928884 0.382303 H\n0.181264 0.982293 0.022436 H\n0.216999 0.948152 0.645494 H\n0.220255 0.128832 0.764419 S\n0.702776 0.202293 0.535217 S\n0.202776 0.297707 0.035217 S\n0.720255 0.371168 0.264419 S\n0.220255 0.628832 0.735581 S\n0.702776 0.702293 0.964783 S\n0.202776 0.797707 0.464783 S\n0.720255 0.871168 0.235581 S\n0.194612 0.050990 0.641012 N\n0.695702 0.106042 0.019082 N\n0.218357 0.150620 0.284555 N\n0.718357 0.349380 0.784555 N\n0.195702 0.393958 0.519082 N\n0.694612 0.449010 0.141012 N\n0.194612 0.550990 0.858988 N\n0.695702 0.606042 0.480918 N\n0.218357 0.650620 0.215445 N\n0.718357 0.849380 0.715445 N\n0.195702 0.893958 0.980918 N\n0.694612 0.949010 0.358988 N\n0.030311 0.076100 0.816083 O\n0.428319 0.079915 0.801396 O\n0.750730 0.110658 0.621563 O\n0.196035 0.155089 0.072563 O\n0.485279 0.167211 0.491045 O\n0.877394 0.189286 0.458000 O\n0.711790 0.229645 0.237523 O\n0.211790 0.270355 0.737523 O\n0.377394 0.310714 0.958000 O\n0.985279 0.332789 0.991045 O\n0.696035 0.344911 0.572563 O\n0.250730 0.389342 0.121563 O\n0.928319 0.420085 0.301396 O\n0.530311 0.423900 0.316083 O\n0.030311 0.576100 0.683917 O\n0.428319 0.579915 0.698604 O\n0.750730 0.610658 0.878437 O\n0.196035 0.655089 0.427437 O\n0.485279 0.667211 0.008955 O\n0.877394 0.689286 0.042000 O\n0.711790 0.729645 0.262477 O\n0.211790 0.770355 0.762477 O\n0.377394 0.810714 0.542000 O\n0.985279 0.832789 0.508955 O\n0.696035 0.844911 0.927437 O\n0.250730 0.889342 0.378437 O\n0.928319 0.920085 0.198604 O\n0.530311 0.923900 0.183917 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8768025857114765,
"density_atomic": 0.11340174537393603,
"volume": 811.2749913736782,
"volume_molar": 5.310448036000083,
"formula_full": "H44 S8 N12 O28",
"formula_reduced": "H11S2N3O7",
"formula_anonymous": "A2B3C7D11",
"energy": -522.87854197,
"energy_per_atom": -5.683462412717391,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:20.945000Z",
"spacegroup": 33
},
{
"id": "mp-1174011",
"created_at": "2022-09-04T14:43:11.959811Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n2.902718 5.129598 0.000000\n-2.902718 5.129598 0.000000\n0.000000 1.751608 4.738082\nLi Mn Co O\n5 1 2 8\ndirect\n0.750115 0.747831 0.499652 Li\n0.999414 0.500516 0.998888 Li\n0.252169 0.249885 0.500348 Li\n0.499484 0.000586 0.001112 Li\n0.249777 0.750223 0.500000 Li\n0.001143 0.998857 0.000000 Mn\n0.492465 0.507535 0.000000 Co\n0.750466 0.249534 0.500000 Co\n0.089085 0.125181 0.250450 O\n0.355456 0.879892 0.777912 O\n0.629347 0.583885 0.256813 O\n0.880005 0.359968 0.759968 O\n0.416115 0.370653 0.743187 O\n0.640032 0.119995 0.240032 O\n0.874819 0.910915 0.749550 O\n0.120108 0.644544 0.222088 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 3.948452121285412,
"density_atomic": 0.11339639211467137,
"volume": 141.09796353855864,
"volume_molar": 5.310698733615925,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -102.58619067,
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"updated_at": "2021-11-28T01:36:05.167000Z",
"spacegroup": 5
},
{
"id": "mp-1175604",
"created_at": "2022-09-04T14:40:22.326977Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.906463 0.000000 0.000000\n-2.628759 -5.884431 0.000000\n-2.852455 0.121696 -8.119566\nLi Mn Co O\n9 2 5 16\ndirect\n0.754035 0.747538 0.253370 Li\n0.256946 0.001133 0.498333 Li\n0.249050 0.749858 0.254298 Li\n0.742247 0.004802 0.496254 Li\n0.748061 0.253647 0.745494 Li\n0.249052 0.249962 0.746957 Li\n0.251823 0.497021 0.003567 Li\n0.750792 0.499361 0.002046 Li\n0.501066 0.250349 0.253658 Li\n0.010213 0.003173 0.999869 Mn\n0.001673 0.253010 0.251441 Mn\n0.986268 0.493029 0.498425 Co\n0.501522 0.749831 0.748735 Co\n0.504117 0.001962 0.001009 Co\n0.498010 0.496606 0.499641 Co\n0.000030 0.750080 0.748803 Co\n0.109782 0.008573 0.235913 O\n0.618638 0.268153 0.501480 O\n0.646522 0.019827 0.233158 O\n0.100024 0.252897 0.486830 O\n0.115528 0.515378 0.739706 O\n0.613987 0.513964 0.740589 O\n0.644969 0.777654 0.989120 O\n0.111965 0.758545 0.990162 O\n0.348728 0.481143 0.262344 O\n0.890098 0.739848 0.512789 O\n0.886575 0.490689 0.260163 O\n0.384279 0.734551 0.512006 O\n0.388310 0.985663 0.764939 O\n0.888219 0.989249 0.760546 O\n0.897097 0.245524 0.010335 O\n0.350374 0.216981 0.998019 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.254254784403698,
"density_atomic": 0.11339272691265663,
"volume": 282.2050485182241,
"volume_molar": 5.310870391748047,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.18458704,
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"updated_at": "2021-11-28T01:34:52.111000Z",
"spacegroup": 1
},
{
"id": "mp-1222520",
"created_at": "2022-09-04T14:39:25.743087Z",
"structure_string": "Li10 Mn4 Cr2 O16\n1.0\n5.812051 -0.000008 0.000003\n0.000010 -3.320724 9.587974\n-2.906018 -5.055382 -0.025814\nLi Mn Cr O\n10 4 2 16\ndirect\n0.500000 0.999996 0.000004 Li\n0.999997 0.500004 0.999998 Li\n0.000000 0.999994 0.000004 Li\n0.499998 0.500005 0.999999 Li\n0.249993 0.250001 0.499999 Li\n0.750004 0.750000 0.500001 Li\n0.000000 0.999991 0.500006 Li\n0.499996 0.500009 0.499994 Li\n0.500002 0.999991 0.500005 Li\n0.999993 0.500009 0.499994 Li\n0.249999 0.749997 0.999984 Mn\n0.749999 0.750005 0.999999 Mn\n0.750007 0.250003 0.000024 Mn\n0.250010 0.249997 0.000002 Mn\n0.250007 0.750001 0.499984 Cr\n0.749995 0.249995 0.500007 Cr\n0.615318 0.138096 0.230648 O\n0.115318 0.638103 0.230626 O\n0.884674 0.361906 0.769354 O\n0.384685 0.861894 0.769363 O\n0.111285 0.138924 0.222570 O\n0.611277 0.638928 0.222556 O\n0.388712 0.361079 0.777427 O\n0.888720 0.861074 0.777444 O\n0.121075 0.137252 0.757212 O\n0.621088 0.637252 0.757218 O\n0.636127 0.137248 0.757217 O\n0.136148 0.637256 0.757214 O\n0.378920 0.362749 0.242790 O\n0.878929 0.862746 0.242784 O\n0.863860 0.362747 0.242792 O\n0.363864 0.862749 0.242778 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.81955484842763,
"density_atomic": 0.11338929695515068,
"volume": 282.2135850498931,
"volume_molar": 5.311031042358399,
"formula_full": "Li10 Mn4 Cr2 O16",
"formula_reduced": "Li5Mn2CrO8",
"formula_anonymous": "AB2C5D8",
"energy": -224.26777594,
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"total_magnetization": 6e-07,
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"updated_at": "2021-11-28T01:34:29.060000Z",
"spacegroup": 12
},
{
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{
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{
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}