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{
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{
"id": "mp-759816",
"created_at": "2022-09-04T14:45:39.365661Z",
"structure_string": "Li6 V6 F24\n1.0\n7.877711 0.000000 0.000000\n-1.089449 7.906782 0.000000\n-1.105256 -1.134352 7.824082\nLi V F\n6 6 24\ndirect\n0.490562 0.235979 0.572556 Li\n0.762315 0.441606 0.523977 Li\n0.402670 0.518484 0.734503 Li\n0.564627 0.478437 0.236410 Li\n0.501089 0.749302 0.435032 Li\n0.104225 0.828652 0.269876 Li\n0.451545 0.082924 0.173410 V\n0.081474 0.183324 0.446724 V\n0.821900 0.551158 0.913087 V\n0.176055 0.443582 0.085121 V\n0.918719 0.830502 0.562016 V\n0.559198 0.918386 0.830624 V\n0.458788 0.076072 0.708977 F\n0.085313 0.037712 0.646227 F\n0.247225 0.051496 0.317013 F\n0.650880 0.088257 0.034117 F\n0.965074 0.364024 0.909620 F\n0.911681 0.292680 0.538076 F\n0.564835 0.279211 0.357310 F\n0.336992 0.260241 0.071026 F\n0.635456 0.435879 0.715720 F\n0.286097 0.335149 0.564126 F\n0.063095 0.322215 0.252512 F\n0.708488 0.464427 0.083413 F\n0.295419 0.538786 0.922074 F\n0.932826 0.671267 0.744875 F\n0.719773 0.647943 0.438963 F\n0.360661 0.566190 0.268177 F\n0.682143 0.742978 0.937134 F\n0.445418 0.729534 0.655003 F\n0.081824 0.717901 0.459747 F\n0.036724 0.647752 0.095449 F\n0.357297 0.911856 0.976180 F\n0.744348 0.937919 0.672362 F\n0.925444 0.963553 0.350092 F\n0.540359 0.923969 0.304589 F\n",
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"spacegroup": 1
},
{
"id": "mp-758473",
"created_at": "2022-09-04T14:48:08.685203Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n5.032430 0.000000 0.000000\n0.000000 6.340912 0.000000\n0.000000 0.142252 10.811580\nLi Co Si O\n8 4 4 16\ndirect\n0.314131 0.000082 0.086502 Li\n0.185869 0.000082 0.586502 Li\n0.812960 0.768242 0.169467 Li\n0.687040 0.768242 0.669467 Li\n0.312960 0.231758 0.330533 Li\n0.187040 0.231758 0.830533 Li\n0.814131 0.999918 0.413498 Li\n0.685869 0.999918 0.913498 Li\n0.803338 0.493339 0.404827 Co\n0.696662 0.493339 0.904827 Co\n0.303338 0.506661 0.095173 Co\n0.196662 0.506661 0.595173 Co\n0.315752 0.758354 0.338320 Si\n0.184248 0.758354 0.838320 Si\n0.815752 0.241646 0.161680 Si\n0.684248 0.241646 0.661680 Si\n0.206619 0.965926 0.407752 O\n0.293381 0.965926 0.907752 O\n0.645268 0.749989 0.337945 O\n0.854732 0.749989 0.837945 O\n0.206842 0.751422 0.193164 O\n0.293158 0.751422 0.693164 O\n0.210702 0.533551 0.408881 O\n0.289298 0.533551 0.908881 O\n0.710702 0.466449 0.091119 O\n0.789298 0.466449 0.591119 O\n0.706842 0.248578 0.306836 O\n0.793158 0.248578 0.806836 O\n0.145268 0.250011 0.162055 O\n0.354732 0.250011 0.662055 O\n0.706619 0.034074 0.092248 O\n0.793381 0.034074 0.592248 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.174728707177461,
"density_atomic": 0.09275372146712611,
"volume": 344.9996344496159,
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"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.34596116,
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"spacegroup": 14
},
{
"id": "mp-1175617",
"created_at": "2022-09-04T14:46:32.801527Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.813806 0.000000 0.000000\n2.876082 5.113896 0.000000\n2.747938 1.817707 9.515609\nLi Mn Co O\n9 2 5 16\ndirect\n0.494595 0.506147 0.004565 Li\n0.749876 0.250369 0.254209 Li\n0.001490 0.996544 0.497863 Li\n0.992737 0.502470 0.001843 Li\n0.252053 0.245535 0.253154 Li\n0.506580 0.997439 0.498440 Li\n0.757848 0.748562 0.744790 Li\n0.249679 0.749669 0.745596 Li\n0.255757 0.751631 0.249366 Li\n0.000201 0.998359 0.004441 Mn\n0.749318 0.747623 0.247918 Mn\n0.495550 0.505653 0.492289 Co\n0.742487 0.253048 0.747643 Co\n0.494154 0.998699 0.002765 Co\n0.009439 0.508336 0.494224 Co\n0.248353 0.251644 0.749874 Co\n0.877401 0.348099 0.879000 O\n0.135314 0.112627 0.110390 O\n0.407708 0.862629 0.367482 O\n0.376421 0.346227 0.876360 O\n0.639658 0.099434 0.120730 O\n0.879589 0.846009 0.374301 O\n0.136196 0.615679 0.623236 O\n0.632321 0.601153 0.623949 O\n0.096674 0.656174 0.123857 O\n0.382657 0.377189 0.384491 O\n0.617678 0.132763 0.631736 O\n0.623953 0.654569 0.125066 O\n0.871710 0.399091 0.365013 O\n0.117957 0.147112 0.628210 O\n0.352390 0.888164 0.891222 O\n0.852256 0.901352 0.885976 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.243647080116104,
"density_atomic": 0.11310998961166964,
"volume": 282.9104671467368,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.21552308,
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"updated_at": "2021-11-28T01:37:35.856000Z",
"spacegroup": 1
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{
"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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"O"
],
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"density_atomic": 0.11339272691265663,
"volume": 282.2050485182241,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.18458704,
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"spacegroup": 1
},
{
"id": "mp-1175750",
"created_at": "2022-09-04T14:42:03.521287Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.885667 0.000000 0.000000\n-1.526294 6.480235 0.000000\n-1.517206 -0.447074 7.530920\nLi Mn Co O\n9 2 5 16\ndirect\n0.870516 0.376974 0.123907 Li\n0.499584 0.993836 0.000453 Li\n0.250779 0.749548 0.248052 Li\n0.622238 0.125330 0.374662 Li\n0.000511 0.505604 0.497748 Li\n0.375696 0.868720 0.627081 Li\n0.746182 0.251491 0.751716 Li\n0.130634 0.626316 0.875617 Li\n0.624646 0.627063 0.875357 Li\n0.999016 0.995714 0.000015 Mn\n0.873030 0.870815 0.627174 Mn\n0.263341 0.259753 0.756304 Co\n0.500244 0.504667 0.507480 Co\n0.130719 0.125687 0.377633 Co\n0.736258 0.744992 0.235053 Co\n0.373640 0.374633 0.124184 Co\n0.833582 0.057240 0.180533 O\n0.451350 0.692574 0.072520 O\n0.202883 0.424390 0.302235 O\n0.581681 0.812437 0.452234 O\n0.952523 0.166301 0.571380 O\n0.314370 0.546254 0.675803 O\n0.719200 0.943065 0.812346 O\n0.075401 0.295608 0.949306 O\n0.943133 0.715572 0.062426 O\n0.534753 0.309438 0.940394 O\n0.288266 0.058846 0.180480 O\n0.663467 0.441504 0.306065 O\n0.038291 0.819919 0.442239 O\n0.428469 0.193868 0.558589 O\n0.813759 0.584453 0.677221 O\n0.161834 0.937396 0.813786 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Na2 V6 F20\n1.0\n0.000000 6.627756 7.962048\n3.798789 0.000000 7.962048\n3.798789 6.627756 0.000000\nNa V F\n2 6 20\ndirect\n0.987319 0.012681 0.012681 Na\n0.237319 0.262681 0.262681 Na\n0.505228 0.494772 0.494772 V\n0.755228 0.744772 0.744772 V\n0.257561 0.242082 0.742370 V\n0.757987 0.742370 0.242082 V\n0.507630 0.492013 0.992439 V\n0.007918 0.992439 0.492013 V\n0.146032 0.120355 0.847826 F\n0.885787 0.847826 0.120355 F\n0.402174 0.364213 0.103968 F\n0.129645 0.103968 0.364213 F\n0.808202 0.199217 0.784736 F\n0.207846 0.784736 0.199217 F\n0.465264 0.042154 0.441798 F\n0.050783 0.441798 0.042154 F\n0.843884 0.652488 0.452425 F\n0.051203 0.452425 0.652488 F\n0.797575 0.198797 0.406116 F\n0.597512 0.406116 0.198797 F\n0.626755 0.620542 0.373183 F\n0.379520 0.373183 0.620542 F\n0.876817 0.870480 0.623245 F\n0.629458 0.623245 0.870480 F\n0.465517 0.037089 0.827427 F\n0.669967 0.827427 0.037089 F\n0.422573 0.580033 0.784483 F\n0.212911 0.784483 0.580033 F\n",
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{
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"structure_string": "Eu2 Dy2 Ti4 O14\n1.0\n-3.612023 3.633479 5.129637\n3.612023 -3.633479 5.129637\n3.612023 3.633479 -5.129637\nEu Dy Ti O\n2 2 4 14\ndirect\n0.000000 0.000000 0.500000 Eu\n0.000000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.421234 0.171234 0.250000 O\n0.826179 0.576179 0.250000 O\n0.425389 0.580581 0.253268 O\n0.827313 0.172122 0.246732 O\n0.425389 0.172122 0.844808 O\n0.827313 0.580581 0.655192 O\n0.578766 0.828766 0.750000 O\n0.173821 0.423821 0.750000 O\n0.574611 0.419419 0.746732 O\n0.172687 0.827878 0.753268 O\n0.574611 0.827878 0.155192 O\n0.172687 0.419419 0.344808 O\n0.130845 0.880845 0.250000 O\n0.869155 0.119155 0.750000 O\n",
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"formula_full": "Eu2 Dy2 Ti4 O14",
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{
"id": "mp-1048551",
"created_at": "2022-09-04T14:45:19.239466Z",
"structure_string": "Y2 Ni6 Se4 Cl2 O16\n1.0\n6.415884 0.000000 0.000000\n0.000000 7.157076 0.000000\n0.000000 0.000000 9.636384\nY Ni Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.740759 0.000000 Y\n0.500000 0.259241 0.500000 Y\n0.250000 0.000000 0.750000 Ni\n0.250000 0.000000 0.250000 Ni\n0.750000 0.000000 0.750000 Ni\n0.500000 0.795678 0.500000 Ni\n0.000000 0.204322 0.000000 Ni\n0.750000 0.000000 0.250000 Ni\n0.500000 0.594277 0.809559 Se\n0.000000 0.405723 0.690441 Se\n0.500000 0.594277 0.190441 Se\n0.000000 0.405723 0.309559 Se\n0.000000 0.857670 0.500000 Cl\n0.500000 0.142330 0.000000 Cl\n0.000000 0.001830 0.862567 O\n0.000000 0.424719 0.869279 O\n0.500000 0.575281 0.369279 O\n0.288752 0.740449 0.838235 O\n0.211248 0.259551 0.338235 O\n0.788752 0.259551 0.338235 O\n0.500000 0.998170 0.637433 O\n0.711248 0.740449 0.838235 O\n0.711248 0.740449 0.161765 O\n0.788752 0.259551 0.661765 O\n0.000000 0.001830 0.137433 O\n0.500000 0.998170 0.362567 O\n0.211248 0.259551 0.661765 O\n0.288752 0.740449 0.161765 O\n0.500000 0.575281 0.630721 O\n0.000000 0.424719 0.130721 O\n",
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"formula_full": "Y2 Ni6 Se4 Cl2 O16",
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{
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