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{
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"results": [
{
"id": "mp-753791",
"created_at": "2022-09-04T14:43:40.297899Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n-0.000007 5.234827 0.000003\n-2.630602 0.000008 8.247244\n8.588541 -0.000012 -0.043188\nLi V Si O\n4 4 4 16\ndirect\n0.828416 0.981057 0.100475 Li\n0.171591 0.981055 0.600471 Li\n0.319905 0.497945 0.257678 Li\n0.680097 0.497943 0.757676 Li\n0.824010 0.741683 0.340408 V\n0.175987 0.741684 0.840409 V\n0.674798 0.252248 0.997020 V\n0.325188 0.252261 0.497042 V\n0.318233 0.865752 0.226703 Si\n0.681771 0.865741 0.726696 Si\n0.815887 0.368947 0.365659 Si\n0.184107 0.368948 0.865667 Si\n0.181286 0.885304 0.061476 O\n0.818721 0.885300 0.561475 O\n0.335867 0.345272 0.024691 O\n0.664127 0.345269 0.524683 O\n0.627147 0.833013 0.198669 O\n0.372857 0.833005 0.698665 O\n0.179901 0.712154 0.271089 O\n0.820102 0.712141 0.771080 O\n0.756118 0.212863 0.203117 O\n0.243886 0.212858 0.703133 O\n0.699386 0.526380 0.318586 O\n0.300605 0.526376 0.818581 O\n0.123769 0.390181 0.404170 O\n0.876223 0.390179 0.904167 O\n0.261546 0.026025 0.384058 O\n0.738469 0.026012 0.884053 O\n",
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"updated_at": "2021-11-28T01:36:12.442000Z",
"spacegroup": 7
},
{
"id": "mp-6700",
"created_at": "2022-09-04T14:40:22.287500Z",
"structure_string": "Mg12 Cr8 Si12 O48\n1.0\n-5.879799 5.879799 5.879799\n5.879799 -5.879799 5.879799\n5.879799 5.879799 -5.879799\nMg Cr Si O\n12 8 12 48\ndirect\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.375000 0.750000 0.125000 Mg\n0.750000 0.625000 0.875000 Mg\n0.125000 0.375000 0.750000 Mg\n0.625000 0.875000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.375000 0.125000 0.250000 Mg\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.479743 0.376115 0.288572 O\n0.308830 0.896373 0.020257 O\n0.603627 0.912457 0.123885 O\n0.587543 0.191170 0.211428 O\n0.123885 0.020257 0.211428 O\n0.191170 0.211428 0.587543 O\n0.191170 0.479743 0.603627 O\n0.211428 0.587543 0.191170 O\n0.376115 0.587543 0.896373 O\n0.912457 0.288572 0.308830 O\n0.288572 0.308830 0.912457 O\n0.211428 0.123885 0.020257 O\n0.479743 0.603627 0.191170 O\n0.896373 0.376115 0.587543 O\n0.020257 0.211428 0.123885 O\n0.603627 0.191170 0.479743 O\n0.587543 0.896373 0.376115 O\n0.020257 0.308830 0.896373 O\n0.912457 0.123885 0.603627 O\n0.623885 0.412457 0.103627 O\n0.123885 0.603627 0.912457 O\n0.288572 0.479743 0.376115 O\n0.896373 0.020257 0.308830 O\n0.308830 0.912457 0.288572 O\n0.520257 0.623885 0.711428 O\n0.691170 0.103627 0.979743 O\n0.396373 0.087543 0.876115 O\n0.412457 0.808830 0.788572 O\n0.876115 0.979743 0.788572 O\n0.808830 0.788572 0.412457 O\n0.808830 0.520257 0.396373 O\n0.788572 0.412457 0.808830 O\n0.691170 0.087543 0.711428 O\n0.103627 0.979743 0.691170 O\n0.711428 0.520257 0.623885 O\n0.623885 0.711428 0.520257 O\n0.876115 0.396373 0.087543 O\n0.087543 0.876115 0.396373 O\n0.979743 0.691170 0.103627 O\n0.412457 0.103627 0.623885 O\n0.396373 0.808830 0.520257 O\n0.979743 0.788572 0.876115 O\n0.103627 0.623885 0.412457 O\n0.520257 0.396373 0.808830 O\n0.788572 0.876115 0.979743 O\n0.711428 0.691170 0.087543 O\n0.087543 0.711428 0.691170 O\n0.376115 0.288572 0.479743 O\n",
"nsites": 80,
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"elements": [
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"O"
],
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"density": 3.7017737476793227,
"density_atomic": 0.09838809584724682,
"volume": 813.1064973978621,
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"formula_full": "Mg12 Cr8 Si12 O48",
"formula_reduced": "Mg3Cr2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -636.5834781799999,
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"updated_at": "2021-11-28T01:34:45.782000Z",
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},
{
"id": "mp-12754",
"created_at": "2022-09-04T14:41:55.885331Z",
"structure_string": "Th2 Pt2\n1.0\n1.966907 -5.640363 0.000000\n1.966907 5.640363 0.000000\n0.000000 0.000000 4.483058\nTh Pt\n2 2\ndirect\n0.863560 0.136440 0.250000 Th\n0.136440 0.863560 0.750000 Th\n0.596155 0.403845 0.250000 Pt\n0.403845 0.596155 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
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"density": 14.260536394282916,
"density_atomic": 0.04021284103619115,
"volume": 99.470713755341,
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"formula_full": "Th2 Pt2",
"formula_reduced": "ThPt",
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"energy": -31.82949027,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:32.985000Z",
"spacegroup": 63
},
{
"id": "mp-7905",
"created_at": "2022-09-04T14:46:59.076297Z",
"structure_string": "Si2 O4\n1.0\n-2.364626 2.881011 3.125430\n2.364626 -2.881011 3.125430\n2.364626 2.881011 -3.125430\nSi O\n2 4\ndirect\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.985331 0.632577 0.352754 O\n0.720177 0.867423 0.852754 O\n0.279823 0.132577 0.147246 O\n0.014669 0.367423 0.647246 O\n",
"nsites": 6,
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"elements": [
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],
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"volume": 85.16813648432404,
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"formula_full": "Si2 O4",
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"updated_at": "2021-11-28T01:37:47.175000Z",
"spacegroup": 72
},
{
"id": "mp-1203196",
"created_at": "2022-09-04T14:39:58.060350Z",
"structure_string": "H4 Os6 C16 S4 O16\n1.0\n6.367729 6.141963 0.000000\n-6.367729 6.141963 0.000000\n0.000000 4.958316 10.583654\nH Os C S O\n4 6 16 4 16\ndirect\n0.055024 0.704576 0.205859 H\n0.295424 0.944976 0.294141 H\n0.944976 0.295424 0.794141 H\n0.704576 0.055024 0.705859 H\n0.166747 0.833253 0.250000 Os\n0.833253 0.166747 0.750000 Os\n0.207434 0.541283 0.198567 Os\n0.458717 0.792566 0.301433 Os\n0.792566 0.458717 0.801433 Os\n0.541283 0.207434 0.698567 Os\n0.981824 0.853809 0.372524 C\n0.146191 0.018176 0.127476 C\n0.018176 0.146191 0.627476 C\n0.853809 0.981824 0.872524 C\n0.027275 0.376351 0.285711 C\n0.623649 0.972725 0.214289 C\n0.972725 0.623649 0.714289 C\n0.376351 0.027275 0.785711 C\n0.349887 0.388347 0.192426 C\n0.611653 0.650113 0.307574 C\n0.650113 0.611653 0.807574 C\n0.388347 0.349887 0.692426 C\n0.188912 0.551602 0.036718 C\n0.448398 0.811088 0.463282 C\n0.811088 0.448398 0.963282 C\n0.551602 0.188912 0.536718 C\n0.223511 0.590360 0.389760 S\n0.409640 0.776489 0.110240 S\n0.776489 0.409640 0.610240 S\n0.590360 0.223511 0.889760 S\n0.865333 0.866135 0.446999 O\n0.133865 0.134667 0.053001 O\n0.134667 0.133865 0.553001 O\n0.866135 0.865333 0.946999 O\n0.924573 0.271200 0.336622 O\n0.728800 0.075427 0.163378 O\n0.075427 0.728800 0.663378 O\n0.271200 0.924573 0.836622 O\n0.440377 0.296601 0.188374 O\n0.703399 0.559623 0.311626 O\n0.559623 0.703399 0.811626 O\n0.296601 0.440377 0.688374 O\n0.181155 0.556445 0.938440 O\n0.443555 0.818845 0.561560 O\n0.818845 0.443555 0.061560 O\n0.556445 0.181155 0.438440 O\n",
"nsites": 46,
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"volume": 827.8609495794963,
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{
"id": "mp-581138",
"created_at": "2022-09-04T14:42:49.750901Z",
"structure_string": "Cs8 Ti4 V12 P12 O72\n1.0\n6.953554 -12.043910 0.000000\n6.953554 12.043910 0.000000\n0.000000 0.000000 9.688104\nCs Ti V P O\n8 4 12 12 72\ndirect\n0.000000 0.000000 0.090566 Cs\n0.500000 0.500000 0.549478 Cs\n0.500000 0.000000 0.549478 Cs\n0.000000 0.500000 0.049478 Cs\n0.500000 0.000000 0.049478 Cs\n0.000000 0.500000 0.549478 Cs\n0.000000 0.000000 0.590566 Cs\n0.500000 0.500000 0.049478 Cs\n0.666667 0.333333 0.543101 Ti\n0.333333 0.666667 0.043101 Ti\n0.666667 0.333333 0.043101 Ti\n0.333333 0.666667 0.543101 Ti\n0.234470 0.973960 0.340370 V\n0.973960 0.234470 0.840370 V\n0.739490 0.765530 0.340370 V\n0.234470 0.260510 0.840370 V\n0.765530 0.026040 0.340370 V\n0.260510 0.234470 0.340370 V\n0.260510 0.026040 0.840370 V\n0.026040 0.260510 0.340370 V\n0.026040 0.765530 0.840370 V\n0.765530 0.739490 0.840370 V\n0.973960 0.739490 0.340370 V\n0.739490 0.973960 0.840370 V\n0.474035 0.199177 0.293275 P\n0.725141 0.525965 0.293275 P\n0.199177 0.725141 0.293275 P\n0.800823 0.525965 0.793275 P\n0.274859 0.800823 0.793275 P\n0.725141 0.199177 0.793275 P\n0.474035 0.274859 0.793275 P\n0.199177 0.474035 0.793275 P\n0.525965 0.800823 0.293275 P\n0.525965 0.725141 0.793275 P\n0.800823 0.274859 0.293275 P\n0.274859 0.474035 0.293275 P\n0.321723 0.774589 0.924445 O\n0.261842 0.237205 0.507843 O\n0.547134 0.225411 0.424445 O\n0.321281 0.392877 0.292778 O\n0.785015 0.875577 0.794982 O\n0.774589 0.452866 0.924445 O\n0.124423 0.214985 0.294982 O\n0.261842 0.024636 0.007843 O\n0.452866 0.774589 0.424445 O\n0.225411 0.678277 0.424445 O\n0.678277 0.452866 0.424445 O\n0.774589 0.321723 0.424445 O\n0.909438 0.785015 0.794982 O\n0.024636 0.762795 0.007843 O\n0.146471 0.733064 0.791973 O\n0.090562 0.875577 0.294982 O\n0.738158 0.975364 0.007843 O\n0.975364 0.237205 0.007843 O\n0.547502 0.225380 0.163034 O\n0.678277 0.225411 0.924445 O\n0.762795 0.738158 0.007843 O\n0.733064 0.586593 0.791973 O\n0.547502 0.322122 0.663034 O\n0.266936 0.413407 0.791973 O\n0.774620 0.322122 0.163034 O\n0.452498 0.774620 0.163034 O\n0.146471 0.413407 0.291973 O\n0.875577 0.785015 0.294982 O\n0.321723 0.547134 0.424445 O\n0.677878 0.225380 0.663034 O\n0.607123 0.928404 0.292778 O\n0.392877 0.321281 0.792778 O\n0.928404 0.607123 0.792778 O\n0.322122 0.774620 0.663034 O\n0.071596 0.392877 0.792778 O\n0.738158 0.762795 0.507843 O\n0.225411 0.547134 0.924445 O\n0.266936 0.853529 0.291973 O\n0.071596 0.678719 0.292778 O\n0.392877 0.071596 0.292778 O\n0.607123 0.678719 0.792778 O\n0.413407 0.146471 0.791973 O\n0.090562 0.214985 0.794982 O\n0.214985 0.124423 0.794982 O\n0.225380 0.547502 0.663034 O\n0.975364 0.738158 0.507843 O\n0.321281 0.928404 0.792778 O\n0.024636 0.261842 0.507843 O\n0.586593 0.853529 0.791973 O\n0.678719 0.607123 0.292778 O\n0.733064 0.146471 0.291973 O\n0.678719 0.071596 0.792778 O\n0.677878 0.452498 0.163034 O\n0.785015 0.909438 0.294982 O\n0.237205 0.261842 0.007843 O\n0.853529 0.266936 0.791973 O\n0.322122 0.547502 0.163034 O\n0.547134 0.321723 0.924445 O\n0.909438 0.124423 0.294982 O\n0.762795 0.024636 0.507843 O\n0.452866 0.678277 0.924445 O\n0.413407 0.266936 0.291973 O\n0.124423 0.909438 0.794982 O\n0.853529 0.586593 0.291973 O\n0.928404 0.321281 0.292778 O\n0.237205 0.975364 0.507843 O\n0.225380 0.677878 0.163034 O\n0.452498 0.677878 0.663034 O\n0.774620 0.452498 0.663034 O\n0.586593 0.733064 0.291973 O\n0.214985 0.090562 0.294982 O\n0.875577 0.090562 0.794982 O\n",
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{
"id": "mp-1301572",
"created_at": "2022-09-04T14:39:46.730545Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n3.107941 -0.005097 -0.000036\n-1.562317 5.044839 -0.000394\n-0.000179 0.000431 9.342009\nMg Mn O\n2 4 8\ndirect\n0.404200 0.813920 0.750996 Mg\n0.595502 0.186180 0.250923 Mg\n0.761823 0.726168 0.070876 Mn\n0.034471 0.273402 0.929046 Mn\n0.965480 0.726700 0.429056 Mn\n0.238496 0.273668 0.570854 Mn\n0.404661 0.451148 0.384743 O\n0.955064 0.548826 0.614996 O\n0.595426 0.548857 0.884744 O\n0.045080 0.451131 0.115016 O\n0.961492 0.921323 0.249875 O\n0.038284 0.078722 0.749940 O\n0.499257 0.998927 0.999460 O\n0.500764 0.001026 0.499476 O\n",
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