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{
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"results": [
{
"id": "mp-1224699",
"created_at": "2022-09-04T14:44:06.015664Z",
"structure_string": "Mg1 P2 O10\n1.0\n-6.228113 0.124903 -6.053564\n6.353016 -6.353016 0.000000\n-6.363393 -6.363393 0.285552\nMg P O\n1 2 10\ndirect\n0.002045 0.001023 0.001087 Mg\n0.330123 0.665062 0.963494 P\n0.433490 0.716745 0.637535 P\n0.682920 0.841460 0.160115 O\n0.999081 0.159970 0.155289 O\n0.999081 0.839110 0.155289 O\n0.321220 0.160610 0.837031 O\n0.001104 0.844866 0.843922 O\n0.001104 0.156238 0.843922 O\n0.244563 0.622281 0.153617 O\n0.668035 0.834018 0.504839 O\n0.378617 0.823689 0.841930 O\n0.378617 0.554929 0.841930 O\n",
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"spacegroup": 8
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{
"id": "mp-5427",
"created_at": "2022-09-04T14:42:09.969028Z",
"structure_string": "Mg2 P2 O7\n1.0\n4.195148 3.268583 0.000000\n-4.195148 3.268583 0.000000\n0.000000 1.086801 4.419432\nMg P O\n2 2 7\ndirect\n0.687673 0.312327 0.500000 Mg\n0.312327 0.687673 0.500000 Mg\n0.781317 0.781317 0.906016 P\n0.218683 0.218683 0.093984 P\n0.926892 0.623220 0.720177 O\n0.376780 0.073108 0.279823 O\n0.073108 0.376780 0.279823 O\n0.623220 0.926892 0.720177 O\n0.000000 0.000000 0.000000 O\n0.619500 0.619500 0.212269 O\n0.380500 0.380500 0.787731 O\n",
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"elements": [
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],
"chemical_system": "Mg-O-P",
"density": 3.0491579826157156,
"density_atomic": 0.09075894294370845,
"volume": 121.20017756071206,
"volume_molar": 6.635313903705468,
"formula_full": "Mg2 P2 O7",
"formula_reduced": "Mg2P2O7",
"formula_anonymous": "A2B2C7",
"energy": -81.43877408,
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"total_magnetization": 3.2e-05,
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"updated_at": "2021-11-28T01:35:42.051000Z",
"spacegroup": 12
},
{
"id": "mp-1197436",
"created_at": "2022-09-04T14:39:20.677188Z",
"structure_string": "Mg8 P8 O56\n1.0\n10.031670 0.000000 0.000000\n0.000000 10.552129 0.000000\n0.000000 0.000000 10.731127\nMg P O\n8 8 56\ndirect\n0.818192 0.221720 0.399580 Mg\n0.318192 0.278280 0.600420 Mg\n0.181808 0.721720 0.100420 Mg\n0.681808 0.778280 0.899580 Mg\n0.181808 0.778280 0.600420 Mg\n0.681808 0.721720 0.399580 Mg\n0.818192 0.278280 0.899580 Mg\n0.318192 0.221720 0.100420 Mg\n0.490759 0.130820 0.362308 P\n0.990759 0.369180 0.637692 P\n0.509241 0.630820 0.137692 P\n0.009241 0.869180 0.862308 P\n0.509241 0.869180 0.637692 P\n0.009241 0.630820 0.362308 P\n0.490759 0.369180 0.862308 P\n0.990759 0.130820 0.137692 P\n0.434951 0.182545 0.238898 O\n0.934951 0.317455 0.761102 O\n0.565049 0.682545 0.261102 O\n0.065049 0.817455 0.738898 O\n0.565049 0.817455 0.761102 O\n0.065049 0.682545 0.238898 O\n0.434951 0.317455 0.738898 O\n0.934951 0.182545 0.261102 O\n0.411887 0.182567 0.473344 O\n0.911887 0.317433 0.526656 O\n0.588113 0.682567 0.026656 O\n0.088113 0.817433 0.973344 O\n0.588113 0.817433 0.526656 O\n0.088113 0.682567 0.473344 O\n0.411887 0.317433 0.973344 O\n0.911887 0.182567 0.026656 O\n0.639502 0.159093 0.377215 O\n0.139502 0.340907 0.622785 O\n0.360498 0.659093 0.122785 O\n0.860498 0.840907 0.877215 O\n0.360498 0.840907 0.622785 O\n0.860498 0.659093 0.377215 O\n0.639502 0.340907 0.877215 O\n0.139502 0.159093 0.122785 O\n0.467188 0.985987 0.342006 O\n0.967188 0.514013 0.657994 O\n0.532812 0.485987 0.157994 O\n0.032812 0.014013 0.842006 O\n0.532812 0.014013 0.657994 O\n0.032812 0.485987 0.342006 O\n0.467188 0.514013 0.842006 O\n0.967188 0.985987 0.157994 O\n0.681713 0.445768 0.501727 O\n0.181713 0.054232 0.498273 O\n0.318287 0.945768 0.998273 O\n0.818287 0.554232 0.001727 O\n0.318287 0.554232 0.498273 O\n0.818287 0.945768 0.501727 O\n0.681713 0.054232 0.001727 O\n0.181713 0.445768 0.998273 O\n0.706646 0.425123 0.384830 O\n0.206646 0.074877 0.615170 O\n0.293354 0.925123 0.115170 O\n0.793354 0.574877 0.884830 O\n0.293354 0.574877 0.615170 O\n0.793354 0.925123 0.384830 O\n0.706646 0.074877 0.884830 O\n0.206646 0.425123 0.115170 O\n0.848071 0.061543 0.532271 O\n0.348071 0.438457 0.467729 O\n0.151929 0.561543 0.967729 O\n0.651929 0.938457 0.032271 O\n0.151929 0.938457 0.467729 O\n0.651929 0.561543 0.532271 O\n0.848071 0.438457 0.032271 O\n0.348071 0.061543 0.967729 O\n",
"nsites": 72,
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"elements": [
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"chemical_system": "Mg-O-P",
"density": 1.9561867912476643,
"density_atomic": 0.06338315202066117,
"volume": 1135.948555801232,
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"formula_full": "Mg8 P8 O56",
"formula_reduced": "MgPO7",
"formula_anonymous": "ABC7",
"energy": -419.82460673,
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"updated_at": "2021-11-28T01:34:30.171000Z",
"spacegroup": 61
},
{
"id": "mp-1211050",
"created_at": "2022-09-04T14:48:29.955696Z",
"structure_string": "Mg2 P4 O20\n1.0\n9.481054 0.000000 0.000000\n0.000000 5.430834 0.000000\n0.000000 5.109549 6.622995\nMg P O\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.829600 0.692433 0.638111 P\n0.170400 0.307567 0.361889 P\n0.329600 0.307567 0.861889 P\n0.670400 0.692433 0.138111 P\n0.373144 0.021763 0.859777 O\n0.626856 0.978237 0.140223 O\n0.873144 0.978237 0.640223 O\n0.126856 0.021763 0.359777 O\n0.411472 0.247708 0.063791 O\n0.588528 0.752292 0.936209 O\n0.911472 0.752292 0.436209 O\n0.088528 0.247708 0.563791 O\n0.384161 0.616210 0.688895 O\n0.615839 0.383790 0.311105 O\n0.884161 0.383790 0.811105 O\n0.115839 0.616210 0.188895 O\n0.031307 0.953717 0.707142 O\n0.968693 0.046283 0.292858 O\n0.531307 0.046283 0.792858 O\n0.468693 0.953717 0.207142 O\n0.675522 0.740291 0.593254 O\n0.324478 0.259709 0.406746 O\n0.175522 0.259709 0.906746 O\n0.824478 0.740291 0.093254 O\n",
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"density": 2.3981239494634186,
"density_atomic": 0.07624226194219338,
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"formula_full": "Mg2 P4 O20",
"formula_reduced": "Mg(PO5)2",
"formula_anonymous": "AB2C10",
"energy": -162.03755425,
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"updated_at": "2021-11-28T01:39:55.604000Z",
"spacegroup": 14
},
{
"id": "mp-554171",
"created_at": "2022-09-04T14:43:19.970860Z",
"structure_string": "Mg12 P8 O32\n1.0\n8.608879 0.009794 -0.217429\n-3.868687 7.189954 -4.002268\n0.008522 0.038078 9.419116\nMg P O\n12 8 32\ndirect\n0.077888 0.301848 0.874066 Mg\n0.593510 0.522551 0.262622 Mg\n0.515731 0.891479 0.822181 Mg\n0.484269 0.108521 0.177819 Mg\n0.982811 0.706886 0.443874 Mg\n0.598630 0.192785 0.674316 Mg\n0.903151 0.818656 0.839114 Mg\n0.401370 0.807215 0.325684 Mg\n0.406490 0.477449 0.737378 Mg\n0.096849 0.181344 0.160886 Mg\n0.017189 0.293114 0.556126 Mg\n0.922112 0.698152 0.125934 Mg\n0.328707 0.178999 0.906964 P\n0.178280 0.689565 0.947422 P\n0.671293 0.821001 0.093036 P\n0.764139 0.928365 0.598939 P\n0.729711 0.433487 0.549457 P\n0.270289 0.566513 0.450543 P\n0.235861 0.071635 0.401061 P\n0.821720 0.310435 0.052578 P\n0.131957 0.060018 0.904257 O\n0.157145 0.502332 0.800645 O\n0.246354 0.095731 0.247339 O\n0.842855 0.497668 0.199355 O\n0.002691 0.699167 0.930383 O\n0.600293 0.943986 0.552828 O\n0.409490 0.072946 0.783163 O\n0.433700 0.267755 0.083693 O\n0.211769 0.708340 0.457031 O\n0.933834 0.110755 0.644577 O\n0.106593 0.372848 0.389580 O\n0.566300 0.732245 0.916307 O\n0.324400 0.330720 0.873052 O\n0.671461 0.139757 0.047243 O\n0.675600 0.669280 0.126948 O\n0.620495 0.445471 0.680455 O\n0.204730 0.678942 0.105160 O\n0.377289 0.629014 0.618682 O\n0.590510 0.927054 0.216837 O\n0.771824 0.763693 0.457142 O\n0.997309 0.300833 0.069617 O\n0.399707 0.056014 0.447172 O\n0.788231 0.291660 0.542969 O\n0.379505 0.554529 0.319545 O\n0.228176 0.236307 0.542858 O\n0.622711 0.370986 0.381318 O\n0.328539 0.860243 0.952757 O\n0.753646 0.904269 0.752661 O\n0.795270 0.321058 0.894840 O\n0.868043 0.939982 0.095743 O\n0.893407 0.627152 0.610420 O\n0.066166 0.889245 0.355423 O\n",
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"formula_full": "Mg12 P8 O32",
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"spacegroup": 2
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{
"id": "mp-18620",
"created_at": "2022-09-04T14:44:53.214532Z",
"structure_string": "Mg4 P8 O24\n1.0\n4.184759 5.969435 0.000000\n-4.184759 5.969435 0.000000\n0.000000 4.880069 8.844477\nMg P O\n4 8 24\ndirect\n0.950051 0.049949 0.750000 Mg\n0.049949 0.950051 0.250000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.268334 0.744904 0.524310 P\n0.255096 0.731666 0.975690 P\n0.731666 0.255096 0.475690 P\n0.744904 0.268334 0.024310 P\n0.707142 0.685348 0.805588 P\n0.314652 0.292858 0.694412 P\n0.292858 0.314652 0.194412 P\n0.685348 0.707142 0.305588 P\n0.148638 0.907063 0.597354 O\n0.092937 0.851362 0.902646 O\n0.851362 0.092937 0.402646 O\n0.907063 0.148638 0.097354 O\n0.188838 0.710675 0.419270 O\n0.289325 0.811162 0.080730 O\n0.811162 0.289325 0.580730 O\n0.710675 0.188838 0.919270 O\n0.495611 0.785272 0.436908 O\n0.214728 0.504389 0.063092 O\n0.504389 0.214728 0.563092 O\n0.785272 0.495611 0.936908 O\n0.813508 0.649548 0.656337 O\n0.350452 0.186492 0.843663 O\n0.186492 0.350452 0.343663 O\n0.649548 0.813508 0.156337 O\n0.720808 0.873958 0.827686 O\n0.126042 0.279192 0.672314 O\n0.279192 0.126042 0.172314 O\n0.873958 0.720808 0.327686 O\n0.469480 0.687689 0.847193 O\n0.312311 0.530520 0.652807 O\n0.530520 0.312311 0.152807 O\n0.687689 0.469480 0.347193 O\n",
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"elements": [
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"volume": 441.8815128636129,
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"formula_full": "Mg4 P8 O24",
"formula_reduced": "Mg(PO3)2",
"formula_anonymous": "AB2C6",
"energy": -271.08986899,
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"updated_at": "2021-11-28T01:36:40.823000Z",
"spacegroup": 15
},
{
"id": "mp-1203214",
"created_at": "2022-09-04T14:41:48.438629Z",
"structure_string": "Mg8 P4 O32\n1.0\n0.051086 0.000000 4.643778\n9.882656 0.000000 -2.007027\n0.000000 12.068346 0.000000\nMg P O\n8 4 32\ndirect\n0.095321 0.682631 0.010251 Mg\n0.904679 0.817369 0.510251 Mg\n0.904679 0.317369 0.989749 Mg\n0.095321 0.182631 0.489749 Mg\n0.977876 0.517492 0.234448 Mg\n0.022124 0.982508 0.734448 Mg\n0.022124 0.482508 0.765552 Mg\n0.977876 0.017492 0.265552 Mg\n0.598519 0.744826 0.186308 P\n0.401481 0.755174 0.686308 P\n0.401481 0.255174 0.813692 P\n0.598519 0.244826 0.313692 P\n0.588405 0.889521 0.228564 O\n0.411595 0.610479 0.728564 O\n0.411595 0.110479 0.771436 O\n0.588405 0.389521 0.271436 O\n0.759343 0.670853 0.272477 O\n0.240657 0.829147 0.772477 O\n0.240657 0.329147 0.727523 O\n0.759343 0.170853 0.227523 O\n0.291679 0.661850 0.163009 O\n0.708321 0.838150 0.663009 O\n0.708321 0.338150 0.836991 O\n0.291679 0.161850 0.336991 O\n0.772056 0.764133 0.074908 O\n0.227944 0.735867 0.574908 O\n0.227944 0.235867 0.925092 O\n0.772056 0.264133 0.425092 O\n0.827035 0.489173 0.064169 O\n0.172965 0.010827 0.564169 O\n0.172965 0.510827 0.935831 O\n0.827035 0.989173 0.435831 O\n0.918067 0.648124 0.851264 O\n0.081933 0.851876 0.351264 O\n0.081933 0.351876 0.148736 O\n0.918067 0.148124 0.648736 O\n0.432118 0.859018 0.974124 O\n0.567882 0.640982 0.474124 O\n0.567882 0.140982 0.025876 O\n0.432118 0.359018 0.525876 O\n0.264188 0.468176 0.387117 O\n0.735812 0.031824 0.887117 O\n0.735812 0.531824 0.612883 O\n0.264188 0.968176 0.112883 O\n",
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"formula_full": "Mg8 P4 O32",
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{
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}