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{
"id": "mp-15481",
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"structure_string": "Dy8 Cu8 Mo16 O64\n1.0\n9.883930 0.000000 0.000000\n0.000000 10.281959 0.000000\n0.000000 0.000000 14.716684\nDy Cu Mo O\n8 8 16 64\ndirect\n0.778542 0.034513 0.896172 Dy\n0.778542 0.534513 0.603828 Dy\n0.278542 0.465487 0.896172 Dy\n0.721458 0.034513 0.396172 Dy\n0.221458 0.965487 0.103828 Dy\n0.221458 0.465487 0.396172 Dy\n0.721458 0.534513 0.103828 Dy\n0.278542 0.965487 0.603828 Dy\n0.188127 0.316768 0.197587 Cu\n0.688127 0.683232 0.302413 Cu\n0.311873 0.816768 0.802413 Cu\n0.811873 0.183232 0.697587 Cu\n0.811873 0.683232 0.802413 Cu\n0.311873 0.316768 0.697587 Cu\n0.688127 0.183232 0.197587 Cu\n0.188127 0.816768 0.302413 Cu\n0.667312 0.897047 0.653029 Mo\n0.000633 0.781138 0.443100 Mo\n0.500633 0.218862 0.056900 Mo\n0.499367 0.281138 0.556900 Mo\n0.999367 0.718862 0.943100 Mo\n0.999367 0.218862 0.556900 Mo\n0.499367 0.781138 0.943100 Mo\n0.500633 0.718862 0.443100 Mo\n0.000633 0.281138 0.056900 Mo\n0.167312 0.102953 0.846971 Mo\n0.832688 0.397047 0.346971 Mo\n0.332688 0.602953 0.153029 Mo\n0.667312 0.397047 0.846971 Mo\n0.832688 0.897047 0.153029 Mo\n0.167312 0.602953 0.653029 Mo\n0.332688 0.102953 0.346971 Mo\n0.107227 0.328539 0.497150 O\n0.607227 0.671461 0.002850 O\n0.392773 0.828539 0.502850 O\n0.892773 0.171461 0.997150 O\n0.892773 0.671461 0.502850 O\n0.392773 0.328539 0.997150 O\n0.607227 0.171461 0.497150 O\n0.107227 0.828539 0.002850 O\n0.243719 0.989081 0.271547 O\n0.743719 0.010919 0.228453 O\n0.256281 0.489081 0.728453 O\n0.756281 0.510919 0.771547 O\n0.756281 0.010919 0.728453 O\n0.256281 0.989081 0.771547 O\n0.743719 0.510919 0.271547 O\n0.243719 0.489081 0.228453 O\n0.223951 0.766682 0.679500 O\n0.723951 0.233318 0.820500 O\n0.276049 0.266682 0.320500 O\n0.776049 0.733318 0.179500 O\n0.776049 0.233318 0.320500 O\n0.276049 0.766682 0.179500 O\n0.723951 0.733318 0.679500 O\n0.891549 0.320983 0.632723 O\n0.223951 0.266682 0.820500 O\n0.294461 0.572718 0.036946 O\n0.705539 0.927282 0.536946 O\n0.205539 0.072718 0.963054 O\n0.205539 0.572718 0.536946 O\n0.705539 0.427282 0.963054 O\n0.294461 0.072718 0.463054 O\n0.794461 0.927282 0.036946 O\n0.900529 0.628726 0.022365 O\n0.400529 0.371274 0.477635 O\n0.599471 0.128726 0.977635 O\n0.099471 0.871274 0.522365 O\n0.099471 0.371274 0.977635 O\n0.599471 0.628726 0.522365 O\n0.400529 0.871274 0.022365 O\n0.900529 0.128726 0.477635 O\n0.895945 0.388247 0.123307 O\n0.395945 0.611753 0.376693 O\n0.604055 0.888247 0.876693 O\n0.104055 0.111753 0.623307 O\n0.104055 0.611753 0.876693 O\n0.604055 0.388247 0.623307 O\n0.395945 0.111753 0.123307 O\n0.895945 0.888247 0.376693 O\n0.989218 0.088206 0.831354 O\n0.489218 0.911794 0.668646 O\n0.510782 0.588206 0.168646 O\n0.010782 0.411794 0.331354 O\n0.010782 0.911794 0.168646 O\n0.510782 0.088206 0.331354 O\n0.489218 0.411794 0.831354 O\n0.989218 0.588206 0.668646 O\n0.891549 0.820983 0.867277 O\n0.391549 0.179017 0.632723 O\n0.608451 0.320983 0.132723 O\n0.108451 0.679017 0.367277 O\n0.108451 0.179017 0.132723 O\n0.608451 0.820983 0.367277 O\n0.391549 0.679017 0.867277 O\n0.794461 0.427282 0.463054 O\n",
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],
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"density": 4.849015259355947,
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"volume": 1495.600127281196,
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"formula_full": "Dy8 Cu8 Mo16 O64",
"formula_reduced": "DyCu(MoO4)2",
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"energy": -778.64804101,
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"updated_at": "2021-11-28T01:35:12.840000Z",
"spacegroup": 61
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{
"id": "mp-1209602",
"created_at": "2022-09-04T14:40:58.950522Z",
"structure_string": "Rb20 V12 O40\n1.0\n8.587991 0.000000 0.000000\n0.000000 8.587991 0.000000\n0.000000 0.000000 19.885827\nRb V O\n20 12 40\ndirect\n0.476541 0.010256 0.132554 Rb\n0.523459 0.989744 0.632554 Rb\n0.489744 0.976541 0.382554 Rb\n0.023459 0.510256 0.117446 Rb\n0.510256 0.023459 0.882554 Rb\n0.976541 0.489744 0.617446 Rb\n0.010256 0.476541 0.867446 Rb\n0.989744 0.523459 0.367446 Rb\n0.000711 0.028767 0.111105 Rb\n0.999289 0.971233 0.611105 Rb\n0.471233 0.500711 0.361105 Rb\n0.499289 0.528767 0.138895 Rb\n0.528767 0.499289 0.861105 Rb\n0.500711 0.471233 0.638895 Rb\n0.028767 0.000711 0.888895 Rb\n0.971233 0.999289 0.388895 Rb\n0.762876 0.762876 0.000000 Rb\n0.237124 0.237124 0.500000 Rb\n0.737124 0.262876 0.250000 Rb\n0.262876 0.737124 0.750000 Rb\n0.229618 0.227884 0.267833 V\n0.770382 0.772116 0.767833 V\n0.272116 0.729618 0.517833 V\n0.270382 0.727884 0.982167 V\n0.727884 0.270382 0.017833 V\n0.729618 0.272116 0.482167 V\n0.227884 0.229618 0.732167 V\n0.772116 0.770382 0.232167 V\n0.311410 0.311410 0.000000 V\n0.688590 0.688590 0.500000 V\n0.188590 0.811410 0.250000 V\n0.811410 0.188590 0.750000 V\n0.066517 0.319313 0.237842 O\n0.933483 0.680687 0.737842 O\n0.180687 0.566517 0.487842 O\n0.433483 0.819313 0.012158 O\n0.819313 0.433483 0.987842 O\n0.566517 0.180687 0.512158 O\n0.319313 0.066517 0.762158 O\n0.680687 0.933483 0.262158 O\n0.243615 0.225590 0.070288 O\n0.756385 0.774410 0.570288 O\n0.274410 0.743615 0.320288 O\n0.256385 0.725590 0.179712 O\n0.725590 0.256385 0.820288 O\n0.743615 0.274410 0.679712 O\n0.225590 0.243615 0.929712 O\n0.774410 0.756385 0.429712 O\n0.231223 0.238930 0.354275 O\n0.768777 0.761070 0.854275 O\n0.261070 0.731223 0.604275 O\n0.268777 0.738930 0.895725 O\n0.738930 0.268777 0.104275 O\n0.731223 0.261070 0.395725 O\n0.238930 0.231223 0.645725 O\n0.761070 0.768777 0.145725 O\n0.220884 0.018655 0.241603 O\n0.779116 0.981345 0.741603 O\n0.481345 0.720884 0.491603 O\n0.279116 0.518655 0.008397 O\n0.518655 0.279116 0.991603 O\n0.720884 0.481345 0.508397 O\n0.018655 0.220884 0.758397 O\n0.981345 0.779116 0.258397 O\n0.397926 0.309063 0.237806 O\n0.602074 0.690937 0.737806 O\n0.190937 0.897926 0.487806 O\n0.102074 0.809063 0.012194 O\n0.809063 0.102074 0.987806 O\n0.897926 0.190937 0.512194 O\n0.309063 0.397926 0.762194 O\n0.690937 0.602074 0.262194 O\n",
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"elements": [
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"formula_full": "Rb20 V12 O40",
"formula_reduced": "Rb5V3O10",
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"spacegroup": 92
},
{
"id": "mp-753508",
"created_at": "2022-09-04T14:40:58.997950Z",
"structure_string": "Li4 Cu4 S4\n1.0\n3.954113 0.000000 0.000000\n0.000000 6.586220 0.000000\n0.000000 0.000000 7.526810\nLi Cu S\n4 4 4\ndirect\n0.750000 0.809667 0.554356 Li\n0.750000 0.690333 0.054356 Li\n0.250000 0.190333 0.445644 Li\n0.250000 0.309667 0.945644 Li\n0.750000 0.168689 0.737798 Cu\n0.750000 0.331311 0.237798 Cu\n0.250000 0.668689 0.762202 Cu\n0.250000 0.831311 0.262202 Cu\n0.750000 0.508384 0.768548 S\n0.750000 0.991616 0.268548 S\n0.250000 0.008384 0.731452 S\n0.250000 0.491616 0.231452 S\n",
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"volume": 196.0181395857239,
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"formula_full": "Li4 Cu4 S4",
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{
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"created_at": "2022-09-04T14:40:59.027872Z",
"structure_string": "Y1 Pt3\n1.0\n4.130339 0.000000 0.000000\n0.000000 4.130339 0.000000\n0.000000 0.000000 4.130339\nY Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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"spacegroup": 221
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{
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"structure_string": "K4 Sn2 Br12\n1.0\n7.479876 0.000000 0.000000\n0.000000 7.479876 0.000000\n0.000000 0.000000 11.321891\nK Sn Br\n4 2 12\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.237327 Br\n0.500000 0.500000 0.262673 Br\n0.000000 0.000000 0.762673 Br\n0.500000 0.500000 0.737327 Br\n0.189367 0.700347 0.000000 Br\n0.799653 0.310633 0.500000 Br\n0.810633 0.299653 0.000000 Br\n0.200347 0.689367 0.500000 Br\n0.310633 0.200347 0.500000 Br\n0.689367 0.799653 0.500000 Br\n0.299653 0.189367 0.000000 Br\n0.700347 0.810633 0.000000 Br\n",
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{
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{
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{
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{
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