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{
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{
"id": "mp-510529",
"created_at": "2022-09-04T14:48:04.467868Z",
"structure_string": "Li4 Cr4 Si8 O24\n1.0\n8.738086 0.000000 0.000000\n0.000000 5.332476 0.000000\n0.000000 1.967308 9.102391\nLi Cr Si O\n4 4 8 24\ndirect\n0.008222 0.489699 0.747853 Li\n0.508222 0.010301 0.252147 Li\n0.991778 0.510301 0.252147 Li\n0.491778 0.989699 0.747853 Li\n0.656330 0.486384 0.750280 Cr\n0.843670 0.986384 0.750280 Cr\n0.343670 0.513616 0.249720 Cr\n0.156330 0.013616 0.249720 Cr\n0.659943 0.275860 0.450591 Si\n0.659595 0.703757 0.049369 Si\n0.159595 0.796243 0.950631 Si\n0.340405 0.296243 0.950631 Si\n0.840405 0.203757 0.049369 Si\n0.159943 0.224140 0.549409 Si\n0.340057 0.724140 0.549409 Si\n0.840057 0.775860 0.450591 Si\n0.267510 0.969881 0.608410 O\n0.166395 0.294655 0.366707 O\n0.666395 0.205345 0.633293 O\n0.833605 0.705345 0.633293 O\n0.333605 0.794655 0.366707 O\n0.664391 0.770340 0.866230 O\n0.164391 0.729660 0.133770 O\n0.335609 0.229660 0.133770 O\n0.835609 0.270340 0.866230 O\n0.990378 0.195051 0.617706 O\n0.490378 0.304949 0.382294 O\n0.009622 0.804949 0.382294 O\n0.727726 0.412173 0.104690 O\n0.227726 0.087827 0.895310 O\n0.272274 0.587827 0.895310 O\n0.772274 0.912173 0.104690 O\n0.509622 0.695051 0.617706 O\n0.767510 0.530119 0.391590 O\n0.494806 0.728697 0.123182 O\n0.232490 0.469881 0.608410 O\n0.005194 0.228697 0.123182 O\n0.505194 0.271303 0.876818 O\n0.994806 0.771303 0.876818 O\n0.732490 0.030119 0.391590 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Cr",
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],
"chemical_system": "Cr-Li-O-Si",
"density": 3.306022984595002,
"density_atomic": 0.09431033339368253,
"volume": 424.13167847712685,
"volume_molar": 6.3854516714108005,
"formula_full": "Li4 Cr4 Si8 O24",
"formula_reduced": "LiCr(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -325.40006993,
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"updated_at": "2021-11-28T01:38:18.849000Z",
"spacegroup": 14
},
{
"id": "mp-1354740",
"created_at": "2022-09-04T14:48:04.471983Z",
"structure_string": "Mg6 Sn12 O24\n1.0\n3.188484 5.547071 0.000000\n-3.188484 5.547071 0.000000\n0.000000 0.386485 17.076024\nMg Sn O\n6 12 24\ndirect\n0.841824 0.841824 0.949446 Mg\n0.167495 0.167495 0.664693 Mg\n0.334533 0.334533 0.828283 Mg\n0.831569 0.831569 0.334687 Mg\n0.000022 0.000022 0.498728 Mg\n0.661949 0.661949 0.172738 Mg\n0.842003 0.334923 0.831385 Sn\n0.504290 0.504290 0.625481 Sn\n0.497703 0.497703 0.992174 Sn\n0.334923 0.842003 0.831385 Sn\n0.500130 0.000425 0.499088 Sn\n0.166927 0.166927 0.290089 Sn\n0.000425 0.500130 0.499088 Sn\n0.157201 0.665406 0.168872 Sn\n0.832930 0.832930 0.705183 Sn\n0.665406 0.157201 0.168872 Sn\n0.496408 0.496408 0.372757 Sn\n0.156683 0.156683 0.048759 Sn\n0.674090 0.183508 0.904425 O\n0.506380 0.506380 0.779282 O\n0.183508 0.674090 0.904425 O\n0.668951 0.668951 0.901406 O\n0.324392 0.870042 0.574147 O\n0.022559 0.022559 0.758525 O\n0.169153 0.169153 0.440678 O\n0.462295 0.012555 0.753115 O\n0.870042 0.324392 0.574147 O\n0.171173 0.171173 0.887918 O\n0.315396 0.315396 0.571213 O\n0.012555 0.462295 0.753115 O\n0.977888 0.543156 0.243708 O\n0.686447 0.686447 0.427718 O\n0.128629 0.676015 0.423881 O\n0.543156 0.977888 0.243708 O\n0.840615 0.840615 0.093657 O\n0.831271 0.831271 0.557590 O\n0.971760 0.971760 0.243150 O\n0.676015 0.128629 0.423881 O\n0.333086 0.333086 0.106536 O\n0.824750 0.331464 0.111976 O\n0.486737 0.486737 0.228126 O\n0.331464 0.824750 0.111976 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.372587802296108,
"density_atomic": 0.06953197598645922,
"volume": 604.0386369600535,
"volume_molar": 8.660965943457096,
"formula_full": "Mg6 Sn12 O24",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy": -265.92816219,
"energy_per_atom": -6.331622909285715,
"energy_above_hull": null,
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"energy_uncorrected": -249.44016219,
"band_gap": 1.3402000000000005,
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"updated_at": "2021-11-28T01:38:22.123000Z",
"spacegroup": 8
},
{
"id": "mp-24350",
"created_at": "2022-09-04T14:48:04.472827Z",
"structure_string": "K4 Co2 H16 C4 O20\n1.0\n6.316921 0.000000 0.000000\n0.000000 6.930998 0.000000\n0.000000 5.067133 11.245300\nK Co H C O\n4 2 16 4 20\ndirect\n0.654542 0.732670 0.683666 K\n0.154542 0.267330 0.816334 K\n0.345458 0.267330 0.316334 K\n0.845458 0.732670 0.183666 K\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.674544 0.800370 0.421779 H\n0.174544 0.199630 0.078221 H\n0.325456 0.199630 0.578221 H\n0.825456 0.800370 0.921779 H\n0.890163 0.928115 0.388945 H\n0.390163 0.071885 0.111055 H\n0.697260 0.290746 0.483462 H\n0.197260 0.709254 0.016538 H\n0.302740 0.709254 0.516538 H\n0.802740 0.290746 0.983462 H\n0.836391 0.299966 0.367723 H\n0.336391 0.700034 0.132277 H\n0.163609 0.700034 0.632277 H\n0.663609 0.299966 0.867723 H\n0.109837 0.071885 0.611055 H\n0.609837 0.928115 0.888945 H\n0.654086 0.242302 0.680981 C\n0.845914 0.242302 0.180981 C\n0.345914 0.757698 0.319019 C\n0.154086 0.757698 0.819019 C\n0.172546 0.207807 0.553613 O\n0.583150 0.168947 0.605764 O\n0.723189 0.387723 0.908837 O\n0.933294 0.182032 0.285204 O\n0.276811 0.612277 0.091163 O\n0.776811 0.387723 0.408837 O\n0.672546 0.792193 0.946387 O\n0.083150 0.831053 0.894236 O\n0.327454 0.207807 0.053613 O\n0.827454 0.792193 0.446387 O\n0.810231 0.375808 0.652923 O\n0.310231 0.624192 0.847077 O\n0.189769 0.624192 0.347077 O\n0.689769 0.375808 0.152923 O\n0.066706 0.817968 0.714796 O\n0.433294 0.817968 0.214796 O\n0.916850 0.168947 0.105764 O\n0.566706 0.182032 0.785204 O\n0.416850 0.831053 0.394236 O\n0.223189 0.612277 0.591163 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"C",
"O"
],
"chemical_system": "C-Co-H-K-O",
"density": 2.2206399652804536,
"density_atomic": 0.09342983171478376,
"volume": 492.34809862898686,
"volume_molar": 6.445629462743744,
"formula_full": "K4 Co2 H16 C4 O20",
"formula_reduced": "K2CoH8(CO5)2",
"formula_anonymous": "AB2C2D8E10",
"energy": -280.89382292000005,
"energy_per_atom": -6.10638745478261,
"energy_above_hull": null,
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"energy_uncorrected": -263.87782292,
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"updated_at": "2021-11-28T01:38:23.241000Z",
"spacegroup": 14
},
{
"id": "mp-1185816",
"created_at": "2022-09-04T14:48:04.502735Z",
"structure_string": "Mg5 Pd1\n1.0\n2.671538 -4.627239 0.000000\n2.671538 4.627239 0.000000\n0.000000 0.000000 4.816268\nMg Pd\n5 1\ndirect\n0.315007 0.000000 0.500000 Mg\n0.684993 0.684993 0.500000 Mg\n0.000000 0.315007 0.500000 Mg\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 3.1787417011717056,
"density_atomic": 0.050388023349720035,
"volume": 119.07591528956726,
"volume_molar": 11.951532049993505,
"formula_full": "Mg5 Pd1",
"formula_reduced": "Mg5Pd",
"formula_anonymous": "AB5",
"energy": -14.63060058,
"energy_per_atom": -2.43843343,
"energy_above_hull": null,
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"energy_uncorrected": -14.63060058,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:22.465000Z",
"spacegroup": 189
},
{
"id": "mp-1246996",
"created_at": "2022-09-04T14:48:04.502952Z",
"structure_string": "Sr6 Mn4 N8\n1.0\n7.105711 0.073571 -0.156208\n-5.326062 6.806065 0.000000\n-0.216333 -0.169290 5.561227\nSr Mn N\n6 4 8\ndirect\n0.247852 0.990598 0.052245 Sr\n0.752148 0.742746 0.447755 Sr\n0.752148 0.009402 0.947755 Sr\n0.247852 0.257254 0.552245 Sr\n0.000000 0.598366 0.750000 Sr\n1.000000 0.401634 0.250000 Sr\n0.582696 0.164916 0.573817 Mn\n0.417303 0.582220 0.926183 Mn\n0.417303 0.835084 0.426183 Mn\n0.582696 0.417780 0.073817 Mn\n0.257277 0.941971 0.524818 N\n0.742723 0.684694 0.975182 N\n0.742723 0.058029 0.475182 N\n0.257277 0.315306 0.024818 N\n0.642948 0.270999 0.887589 N\n0.357052 0.628051 0.612411 N\n0.357052 0.729001 0.112411 N\n0.642948 0.371949 0.387589 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 5.259104876745388,
"density_atomic": 0.06647954739104688,
"volume": 270.7599661309389,
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"formula_full": "Sr6 Mn4 N8",
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"formula_anonymous": "A2B3C4",
"energy": -125.84866939,
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"updated_at": "2021-11-28T01:38:20.991000Z",
"spacegroup": 15
},
{
"id": "mp-1202410",
"created_at": "2022-09-04T14:48:04.505711Z",
"structure_string": "U2 Zn40 Os4\n1.0\n0.000000 7.159197 7.159197\n7.159197 0.000000 7.159197\n7.159197 7.159197 0.000000\nU Zn Os\n2 40 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.862256 0.862256 0.137744 Zn\n0.137744 0.137744 0.862256 Zn\n0.862256 0.137744 0.862256 Zn\n0.137744 0.862256 0.137744 Zn\n0.137744 0.862256 0.862256 Zn\n0.862256 0.137744 0.137744 Zn\n0.387744 0.387744 0.112256 Zn\n0.112256 0.112256 0.387744 Zn\n0.387744 0.112256 0.387744 Zn\n0.112256 0.387744 0.112256 Zn\n0.112256 0.387744 0.387744 Zn\n0.387744 0.112256 0.112256 Zn\n0.568126 0.301702 0.301702 Zn\n0.301702 0.568126 0.828471 Zn\n0.301702 0.828471 0.568126 Zn\n0.828471 0.301702 0.301702 Zn\n0.301702 0.301702 0.568126 Zn\n0.568126 0.828471 0.301702 Zn\n0.828471 0.568126 0.301702 Zn\n0.301702 0.301702 0.828471 Zn\n0.301702 0.568126 0.301702 Zn\n0.828471 0.301702 0.568126 Zn\n0.568126 0.301702 0.828471 Zn\n0.301702 0.828471 0.301702 Zn\n0.681874 0.948298 0.948298 Zn\n0.948298 0.681874 0.421529 Zn\n0.948298 0.421529 0.681874 Zn\n0.421529 0.948298 0.948298 Zn\n0.948298 0.948298 0.681874 Zn\n0.681874 0.421529 0.948298 Zn\n0.421529 0.681874 0.948298 Zn\n0.948298 0.948298 0.421529 Zn\n0.948298 0.681874 0.948298 Zn\n0.421529 0.948298 0.681874 Zn\n0.681874 0.948298 0.421529 Zn\n0.948298 0.421529 0.948298 Zn\n0.625000 0.125000 0.125000 Os\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n0.125000 0.125000 0.125000 Os\n",
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"volume": 733.876422039159,
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"formula_full": "U2 Zn40 Os4",
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"energy": -121.29013295,
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{
"id": "mp-1044938",
"created_at": "2022-09-04T14:48:04.506949Z",
"structure_string": "La2 Mg2 Cr2 W2 O12\n1.0\n5.652789 0.000000 0.000000\n0.000000 5.456142 0.000000\n0.000000 5.294038 7.819109\nLa Mg Cr W O\n2 2 2 2 12\ndirect\n0.292021 0.766854 0.246052 La\n0.707979 0.766854 0.746052 La\n0.801596 0.224482 0.250244 Mg\n0.198404 0.224482 0.750244 Mg\n0.250428 0.999816 0.500659 Cr\n0.749572 0.999816 0.000659 Cr\n0.247021 0.500801 0.997692 W\n0.752979 0.500801 0.497692 W\n0.802039 0.338560 0.752247 O\n0.024267 0.142726 0.065214 O\n0.035080 0.771413 0.443807 O\n0.558359 0.253330 0.060553 O\n0.557229 0.887475 0.434384 O\n0.275929 0.614541 0.749148 O\n0.197961 0.338560 0.252247 O\n0.975733 0.142726 0.565214 O\n0.964920 0.771413 0.943807 O\n0.441641 0.253330 0.560553 O\n0.442771 0.887475 0.934384 O\n0.724071 0.614541 0.249148 O\n",
"nsites": 20,
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"elements": [
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"volume": 241.16023973814046,
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"formula_full": "La2 Mg2 Cr2 W2 O12",
"formula_reduced": "LaMgCrWO6",
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"spacegroup": 7
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{
"id": "mp-32727",
"created_at": "2022-09-04T14:48:04.513431Z",
"structure_string": "Y12 Se16\n1.0\n4.098414 7.030870 0.000000\n-4.098414 7.030870 0.000000\n0.000000 4.573768 13.220953\nY Se\n12 16\ndirect\n0.742682 0.260607 0.745818 Y\n0.260607 0.742682 0.745818 Y\n0.000000 0.000000 0.500000 Y\n0.254950 0.254950 0.745586 Y\n0.000000 0.500000 0.500000 Y\n0.739393 0.257318 0.254182 Y\n0.500000 0.000000 0.500000 Y\n0.257318 0.739393 0.254182 Y\n0.000000 0.000000 0.000000 Y\n0.745050 0.745050 0.254414 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.122736 0.627597 0.625533 Se\n0.627597 0.122736 0.625533 Se\n0.372474 0.372474 0.375523 Se\n0.875446 0.875446 0.374345 Se\n0.630106 0.117531 0.125487 Se\n0.124554 0.124554 0.625655 Se\n0.372403 0.877264 0.374467 Se\n0.874846 0.874846 0.872236 Se\n0.117531 0.630106 0.125487 Se\n0.627526 0.627526 0.624477 Se\n0.377141 0.377141 0.877651 Se\n0.877264 0.372403 0.374467 Se\n0.622859 0.622859 0.122349 Se\n0.882469 0.369894 0.874513 Se\n0.125154 0.125154 0.127764 Se\n0.369894 0.882469 0.874513 Se\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.078439377789592,
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"volume": 761.9345222853318,
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"formula_full": "Y12 Se16",
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"formula_anonymous": "A3B4",
"energy": -192.71742515,
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"updated_at": "2021-11-28T01:38:23.381000Z",
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},
{
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{
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"structure_string": "As12 H36 Rh4 C12 Br12 O12\n1.0\n9.234999 0.000000 0.000000\n0.000000 9.344933 0.000000\n0.000000 6.665418 15.949005\nAs H Rh C Br O\n12 36 4 12 12 12\ndirect\n0.856083 0.271551 0.070470 As\n0.080120 0.550199 0.119764 As\n0.715729 0.621454 0.525035 As\n0.419880 0.550199 0.619764 As\n0.215729 0.378546 0.974965 As\n0.580120 0.449801 0.380236 As\n0.784271 0.621454 0.025035 As\n0.643917 0.271551 0.570470 As\n0.919880 0.449801 0.880236 As\n0.356083 0.728449 0.429530 As\n0.284271 0.378546 0.474965 As\n0.143917 0.728449 0.929530 As\n0.737307 0.409858 0.783542 H\n0.245677 0.982992 0.410989 H\n0.584624 0.817757 0.985585 H\n0.254323 0.982992 0.910989 H\n0.602472 0.293113 0.291917 H\n0.871677 0.126741 0.630539 H\n0.897528 0.293113 0.791917 H\n0.600084 0.499210 0.228442 H\n0.784702 0.025985 0.189390 H\n0.762693 0.409858 0.283542 H\n0.976807 0.634650 0.563030 H\n0.915376 0.817757 0.485585 H\n0.262693 0.590142 0.216458 H\n0.865634 0.762506 0.594510 H\n0.715298 0.025985 0.689390 H\n0.100084 0.500790 0.271558 H\n0.397528 0.706887 0.708083 H\n0.899916 0.499210 0.728442 H\n0.102472 0.706887 0.208083 H\n0.634366 0.762506 0.094510 H\n0.476807 0.365350 0.936970 H\n0.128323 0.873259 0.369461 H\n0.134366 0.237494 0.405490 H\n0.371677 0.873259 0.869461 H\n0.023193 0.365350 0.436970 H\n0.284702 0.974015 0.310610 H\n0.237307 0.590142 0.716458 H\n0.415376 0.182243 0.014415 H\n0.084624 0.182243 0.514415 H\n0.365634 0.237494 0.905490 H\n0.628323 0.126741 0.130539 H\n0.745677 0.017008 0.089011 H\n0.523193 0.634650 0.063030 H\n0.754323 0.017008 0.589011 H\n0.399916 0.500790 0.771558 H\n0.215298 0.974015 0.810610 H\n0.599466 0.696030 0.391803 Rh\n0.900534 0.696030 0.891803 Rh\n0.400534 0.303970 0.608197 Rh\n0.099466 0.303970 0.108197 Rh\n0.643996 0.407739 0.284272 C\n0.260803 0.912364 0.873064 C\n0.739197 0.087636 0.126936 C\n0.110101 0.278540 0.455654 C\n0.389899 0.278540 0.955654 C\n0.856004 0.407739 0.784272 C\n0.610101 0.721460 0.044346 C\n0.239197 0.912364 0.373064 C\n0.889899 0.721460 0.544346 C\n0.356004 0.592261 0.715728 C\n0.760803 0.087636 0.626936 C\n0.143996 0.592261 0.215728 C\n0.641326 0.688701 0.841910 Br\n0.141326 0.311299 0.658090 Br\n0.127803 0.034595 0.104481 Br\n0.358674 0.311299 0.158090 Br\n0.858674 0.688701 0.341910 Br\n0.627803 0.965405 0.395519 Br\n0.511704 0.206807 0.755244 Br\n0.372197 0.034595 0.604481 Br\n0.872197 0.965405 0.895519 Br\n0.011704 0.793193 0.744756 Br\n0.988296 0.206807 0.255244 Br\n0.488296 0.793193 0.244756 Br\n0.729330 0.419510 0.072497 O\n0.270670 0.580490 0.927503 O\n0.102271 0.371416 0.890736 O\n0.329416 0.708390 0.537330 O\n0.770670 0.419510 0.572497 O\n0.170584 0.708390 0.037330 O\n0.670584 0.291610 0.462670 O\n0.397729 0.371416 0.390736 O\n0.897729 0.628584 0.109264 O\n0.602271 0.628584 0.609264 O\n0.829416 0.291610 0.962670 O\n0.229330 0.580490 0.427503 O\n",
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"formula_full": "As12 H36 Rh4 C12 Br12 O12",
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{
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"structure_string": "Al32 O48\n1.0\n5.658037 0.000000 0.000000\n0.000000 5.656882 0.000000\n0.000000 5.310322 23.677879\nAl O\n32 48\ndirect\n0.246962 0.308490 0.208956 Al\n0.264564 0.037138 0.958768 Al\n0.234227 0.177423 0.079150 Al\n0.233954 0.670162 0.080062 Al\n0.246962 0.691510 0.291044 Al\n0.234227 0.822577 0.420850 Al\n0.233954 0.329838 0.419938 Al\n0.250057 0.376951 0.623373 Al\n0.264564 0.962862 0.541232 Al\n0.253959 0.500000 0.750000 Al\n0.250057 0.623049 0.876627 Al\n0.007914 0.850501 0.669544 Al\n0.007914 0.149499 0.830456 Al\n0.992086 0.850501 0.169544 Al\n0.992086 0.149499 0.330456 Al\n0.735436 0.962862 0.041232 Al\n0.749943 0.623049 0.376627 Al\n0.753038 0.308490 0.708956 Al\n0.766046 0.329838 0.919938 Al\n0.766046 0.670162 0.580062 Al\n0.735436 0.037138 0.458768 Al\n0.753038 0.691510 0.791044 Al\n0.746041 0.500000 0.250000 Al\n0.749943 0.376951 0.123373 Al\n0.765773 0.822577 0.920850 Al\n0.765773 0.177423 0.579150 Al\n0.500302 0.152008 0.329684 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500302 0.847992 0.170316 Al\n0.499698 0.152008 0.829684 Al\n0.499698 0.847992 0.670316 Al\n0.270288 0.250720 0.002119 O\n0.269220 0.742841 0.002441 O\n0.247755 0.076765 0.165564 O\n0.247854 0.615640 0.162503 O\n0.270288 0.749280 0.497881 O\n0.269220 0.257159 0.497559 O\n0.254000 0.604713 0.666681 O\n0.254129 0.070614 0.660462 O\n0.254000 0.395287 0.833319 O\n0.254129 0.929386 0.839538 O\n0.247755 0.923235 0.334436 O\n0.247854 0.384360 0.337497 O\n0.022771 0.414361 0.088723 O\n0.991752 0.083229 0.914494 O\n0.006666 0.734369 0.746285 O\n0.006666 0.265631 0.753715 O\n0.008248 0.083229 0.414494 O\n0.022771 0.585639 0.411277 O\n0.008248 0.916771 0.085506 O\n0.993334 0.265631 0.253715 O\n0.977229 0.585639 0.911277 O\n0.991752 0.916771 0.585506 O\n0.977229 0.414361 0.588723 O\n0.993334 0.734369 0.246285 O\n0.730780 0.257159 0.997559 O\n0.745871 0.929386 0.339538 O\n0.752146 0.615640 0.662503 O\n0.752146 0.384360 0.837497 O\n0.730780 0.742841 0.502441 O\n0.746000 0.395287 0.333319 O\n0.752245 0.076765 0.665564 O\n0.745871 0.070614 0.160462 O\n0.729712 0.749280 0.997881 O\n0.752245 0.923235 0.834436 O\n0.729712 0.250720 0.502119 O\n0.746000 0.604713 0.166681 O\n0.500811 0.732612 0.247770 O\n0.519747 0.423483 0.580508 O\n0.526724 0.918241 0.586058 O\n0.519747 0.576517 0.919492 O\n0.500811 0.267388 0.252230 O\n0.473276 0.918241 0.086058 O\n0.480253 0.576517 0.419492 O\n0.473276 0.081759 0.413942 O\n0.499189 0.267388 0.752230 O\n0.499189 0.732612 0.747770 O\n0.526724 0.081759 0.913942 O\n0.480253 0.423483 0.080508 O\n",
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{
"id": "mp-1383517",
"created_at": "2022-09-04T14:48:04.526893Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.571360 0.000000 0.000000\n0.000000 4.433364 0.000000\n0.000000 0.000000 11.481643\nMg Mn O\n2 4 10\ndirect\n0.500000 0.115723 0.000000 Mg\n0.000000 0.884277 0.500000 Mg\n0.000000 0.566974 0.847342 Mn\n0.500000 0.433026 0.652658 Mn\n0.500000 0.433026 0.347342 Mn\n0.000000 0.566974 0.152658 Mn\n0.500000 0.573687 0.500000 O\n0.000000 0.426313 0.000000 O\n0.500000 0.454651 0.826603 O\n0.000000 0.545349 0.673397 O\n0.500000 0.454651 0.173397 O\n0.000000 0.545349 0.326603 O\n0.000000 0.952177 0.116668 O\n0.500000 0.047823 0.383332 O\n0.500000 0.047823 0.616668 O\n0.000000 0.952177 0.883332 O\n",
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]
}