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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12108",
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"results": [
{
"id": "mp-1233513",
"created_at": "2022-09-04T14:39:43.884448Z",
"structure_string": "K2 Gd2 Mg1 Mo4 O16\n1.0\n-4.605336 -5.518221 3.533746\n4.218989 -5.160462 -3.466791\n4.368920 5.476217 3.972445\nK Gd Mg Mo O\n2 2 1 4 16\ndirect\n0.447767 0.267069 0.323005 K\n0.579396 0.767157 0.720536 K\n0.035606 0.750702 0.244549 Gd\n0.975434 0.250227 0.771169 Gd\n0.360852 0.011052 0.883748 Mg\n0.983596 0.296593 0.297405 Mo\n0.995385 0.684119 0.692822 Mo\n0.521124 0.712679 0.201506 Mo\n0.488446 0.308425 0.799314 Mo\n0.656945 0.212835 0.048592 O\n0.339514 0.782489 0.951347 O\n0.688441 0.630830 0.435697 O\n0.291959 0.377671 0.552262 O\n0.728441 0.966026 0.395236 O\n0.273997 0.026080 0.610141 O\n0.037444 0.376716 0.134770 O\n0.943390 0.620698 0.863237 O\n0.057561 0.635597 0.478778 O\n0.928938 0.354352 0.517257 O\n0.668974 0.614904 0.050812 O\n0.338050 0.392581 0.953763 O\n0.953342 0.027214 0.179011 O\n0.078825 0.987052 0.828139 O\n0.344577 0.742013 0.276965 O\n0.648065 0.249564 0.706605 O\n",
"nsites": 25,
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"elements": [
"K",
"Gd",
"Mg",
"Mo",
"O"
],
"chemical_system": "Gd-K-Mg-Mo-O",
"density": 5.095854955259982,
"density_atomic": 0.07259971082080804,
"volume": 344.3539887053471,
"volume_molar": 8.294992765004201,
"formula_full": "K2 Gd2 Mg1 Mo4 O16",
"formula_reduced": "K2Gd2Mg(MoO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -216.44408373000005,
"energy_per_atom": -8.657763349200001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -192.64408373,
"band_gap": 1.477,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.327000Z",
"spacegroup": 1
},
{
"id": "mp-695554",
"created_at": "2022-09-04T14:39:43.888283Z",
"structure_string": "Mg7 V1 Fe1 Mo15 O56\n1.0\n8.510469 0.000000 0.000000\n-0.028281 9.242172 0.000000\n-1.930807 -0.023998 16.120583\nMg V Fe Mo O\n7 1 1 15 56\ndirect\n0.592680 0.506898 0.593609 Mg\n0.340779 0.992070 0.845173 Mg\n0.092664 0.500027 0.096343 Mg\n0.157210 0.006930 0.655863 Mg\n0.845771 0.996712 0.339143 Mg\n0.906895 0.492938 0.907131 Mg\n0.407698 0.493546 0.405026 Mg\n0.036232 0.139778 0.171945 V\n0.663816 0.008379 0.157743 Fe\n0.743390 0.117827 0.947454 Mo\n0.538237 0.138907 0.672711 Mo\n0.504447 0.618545 0.802965 Mo\n0.245307 0.118760 0.445834 Mo\n0.211780 0.639361 0.576837 Mo\n0.287607 0.361087 0.923471 Mo\n0.004193 0.618580 0.302711 Mo\n0.995467 0.381205 0.697193 Mo\n0.961409 0.861061 0.828161 Mo\n0.711979 0.641713 0.078734 Mo\n0.789000 0.360328 0.423051 Mo\n0.754000 0.882117 0.550737 Mo\n0.499459 0.377821 0.196473 Mo\n0.460377 0.861091 0.325703 Mo\n0.256926 0.885808 0.056979 Mo\n0.892995 0.990345 0.909542 O\n0.792807 0.299341 0.930366 O\n0.697895 0.165047 0.747846 O\n0.696150 0.571166 0.847972 O\n0.493543 0.309311 0.627254 O\n0.553139 0.071896 0.900827 O\n0.492728 0.593836 0.693911 O\n0.395350 0.991141 0.406274 O\n0.457005 0.799177 0.823948 O\n0.373944 0.573471 0.523404 O\n0.447376 0.335917 0.998559 O\n0.376161 0.072633 0.726247 O\n0.293890 0.299833 0.426190 O\n0.354973 0.491134 0.842486 O\n0.182733 0.159597 0.247073 O\n0.258020 0.092955 0.554827 O\n0.197209 0.572348 0.346284 O\n0.256388 0.809778 0.622813 O\n0.243328 0.191161 0.877045 O\n0.245919 0.910379 0.947588 O\n0.145208 0.509003 0.657854 O\n0.997935 0.302089 0.124864 O\n0.052662 0.071689 0.402855 O\n0.988970 0.594903 0.193443 O\n0.123675 0.927240 0.774861 O\n0.052227 0.664107 0.501722 O\n0.125443 0.429073 0.976056 O\n0.042908 0.200357 0.676494 O\n0.956286 0.798799 0.323860 O\n0.872877 0.577780 0.025281 O\n0.947916 0.335467 0.498622 O\n0.868893 0.067661 0.220213 O\n0.006647 0.406186 0.806243 O\n0.945860 0.928556 0.596248 O\n0.005810 0.690728 0.873355 O\n0.854467 0.491285 0.342352 O\n0.744364 0.089085 0.056046 O\n0.753652 0.813297 0.126784 O\n0.743486 0.190361 0.376738 O\n0.803576 0.428220 0.652623 O\n0.742281 0.907479 0.441609 O\n0.802336 0.835742 0.752773 O\n0.645130 0.508959 0.157716 O\n0.706315 0.701297 0.572097 O\n0.622578 0.928903 0.270816 O\n0.552834 0.666713 0.003979 O\n0.625807 0.427487 0.475246 O\n0.554648 0.196660 0.176404 O\n0.605352 0.008737 0.591622 O\n0.509170 0.403953 0.304782 O\n0.454242 0.934151 0.101222 O\n0.507910 0.691168 0.370580 O\n0.309026 0.422858 0.151330 O\n0.301406 0.833873 0.251152 O\n0.208095 0.703827 0.076346 O\n0.111129 0.010347 0.094367 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Mg",
"V",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mg-Mo-O-V",
"density": 3.420676259232867,
"density_atomic": 0.06309307614973077,
"volume": 1267.9679749667964,
"volume_molar": 9.544852030527755,
"formula_full": "Mg7 V1 Fe1 Mo15 O56",
"formula_reduced": "Mg7VFeMo15O56",
"formula_anonymous": "ABC7D15E56",
"energy": -643.77708882,
"energy_per_atom": -8.047213610250001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -553.31908882,
"band_gap": 2.0652,
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"is_magnetic": true,
"total_magnetization": 4.9994525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.138000Z",
"spacegroup": 1
},
{
"id": "mp-1337931",
"created_at": "2022-09-04T14:39:43.916234Z",
"structure_string": "Rh12 S12 Cl60\n1.0\n3.538323 13.539631 0.000000\n-3.538323 13.539631 0.000000\n0.000000 13.420754 24.041449\nRh S Cl\n12 12 60\ndirect\n0.937605 0.839838 0.937789 Rh\n0.315045 0.060078 0.415609 Rh\n0.060078 0.315045 0.915609 Rh\n0.018006 0.637241 0.852513 Rh\n0.684955 0.939922 0.584391 Rh\n0.160162 0.062395 0.562211 Rh\n0.062395 0.160162 0.062211 Rh\n0.939922 0.684955 0.084391 Rh\n0.362759 0.981994 0.647487 Rh\n0.637241 0.018006 0.352513 Rh\n0.839838 0.937605 0.437789 Rh\n0.981994 0.362759 0.147487 Rh\n0.919853 0.294750 0.913654 S\n0.294750 0.919853 0.413654 S\n0.754366 0.539244 0.217291 S\n0.705250 0.080147 0.586346 S\n0.080147 0.705250 0.086346 S\n0.729098 0.129171 0.881507 S\n0.245634 0.460756 0.782709 S\n0.270902 0.870829 0.118493 S\n0.539244 0.754366 0.717291 S\n0.460756 0.245634 0.282709 S\n0.129171 0.729098 0.381507 S\n0.870829 0.270902 0.618493 S\n0.173049 0.213076 0.567467 Cl\n0.376506 0.442607 0.068251 Cl\n0.935186 0.314398 0.832888 Cl\n0.557393 0.623494 0.431749 Cl\n0.532289 0.145146 0.501238 Cl\n0.442607 0.376506 0.568251 Cl\n0.695862 0.853774 0.159877 Cl\n0.685602 0.064814 0.667112 Cl\n0.145146 0.532289 0.001238 Cl\n0.583456 0.338137 0.918001 Cl\n0.661863 0.416544 0.581999 Cl\n0.373414 0.140666 0.641943 Cl\n0.140666 0.373414 0.141943 Cl\n0.335371 0.838904 0.638852 Cl\n0.213076 0.173049 0.067467 Cl\n0.328400 0.544253 0.735299 Cl\n0.120887 0.881958 0.313835 Cl\n0.904462 0.150489 0.056929 Cl\n0.270608 0.012210 0.978148 Cl\n0.139526 0.302448 0.340058 Cl\n0.826951 0.786924 0.432533 Cl\n0.544253 0.328400 0.235299 Cl\n0.623494 0.557393 0.931749 Cl\n0.314398 0.935186 0.332888 Cl\n0.446088 0.888212 0.773012 Cl\n0.664629 0.161096 0.361148 Cl\n0.838904 0.335371 0.138852 Cl\n0.338137 0.583456 0.418001 Cl\n0.302448 0.139526 0.840058 Cl\n0.621513 0.856877 0.357909 Cl\n0.450334 0.669011 0.764463 Cl\n0.780113 0.661052 0.083700 Cl\n0.849511 0.095538 0.443071 Cl\n0.053313 0.195263 0.705256 Cl\n0.012210 0.270608 0.478148 Cl\n0.095538 0.849511 0.943071 Cl\n0.161096 0.664629 0.861148 Cl\n0.118042 0.879113 0.186165 Cl\n0.114426 0.541778 0.727684 Cl\n0.661052 0.780113 0.583700 Cl\n0.060281 0.681161 0.167909 Cl\n0.854854 0.467711 0.998762 Cl\n0.888212 0.446088 0.273012 Cl\n0.853774 0.695862 0.659877 Cl\n0.786924 0.826951 0.932533 Cl\n0.219887 0.338948 0.916300 Cl\n0.805608 0.939715 0.793884 Cl\n0.987790 0.729392 0.521852 Cl\n0.467711 0.854854 0.498762 Cl\n0.150489 0.904462 0.556929 Cl\n0.881958 0.120887 0.813835 Cl\n0.416544 0.661863 0.081999 Cl\n0.338948 0.219887 0.416300 Cl\n0.671600 0.455747 0.264701 Cl\n0.879113 0.118042 0.686165 Cl\n0.939715 0.805608 0.293884 Cl\n0.541778 0.114426 0.227684 Cl\n0.859334 0.626586 0.858057 Cl\n0.195263 0.053313 0.205256 Cl\n0.729392 0.987790 0.021852 Cl\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Rh",
"S",
"Cl"
],
"chemical_system": "Cl-Rh-S",
"density": 2.7009570834905796,
"density_atomic": 0.036465682551741416,
"volume": 2303.5356565947122,
"volume_molar": 16.514542821062356,
"formula_full": "Rh12 S12 Cl60",
"formula_reduced": "RhSCl5",
"formula_anonymous": "ABC5",
"energy": -321.62101871,
"energy_per_atom": -3.8288216513095237,
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"band_gap": 1.3047,
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"updated_at": "2021-11-28T01:34:23.871000Z",
"spacegroup": 1
},
{
"id": "mp-788130",
"created_at": "2022-09-04T14:39:44.069972Z",
"structure_string": "Sn16 N16 O8\n1.0\n8.846967 0.000000 0.000000\n-2.929949 8.348317 0.000000\n-2.941077 -4.174282 7.243259\nSn N O\n16 16 8\ndirect\n0.519334 0.519976 0.490286 Sn\n0.959523 0.677853 0.788986 Sn\n0.711369 0.241394 0.521824 Sn\n0.675913 0.713870 0.029299 Sn\n0.552205 0.335759 0.709555 Sn\n0.506643 0.002565 0.995204 Sn\n0.805875 0.549404 0.238386 Sn\n0.985882 0.483630 0.009309 Sn\n0.991027 0.998628 0.497905 Sn\n0.708663 0.954373 0.755176 Sn\n0.278734 0.028380 0.256282 Sn\n0.216535 0.469084 0.747920 Sn\n0.471395 0.688543 0.279038 Sn\n0.292800 0.268114 0.970466 Sn\n0.326091 0.801478 0.463765 Sn\n0.032943 0.318066 0.215627 Sn\n0.787621 0.788906 0.237786 N\n0.809223 0.572758 0.462331 N\n0.781532 0.548259 0.990696 N\n0.970681 0.235576 0.501212 N\n0.316922 0.044902 0.954739 N\n0.184933 0.225800 0.270146 N\n0.705198 0.962843 0.034861 N\n0.769859 0.316506 0.228755 N\n0.230045 0.455901 0.997368 N\n0.485706 0.536251 0.733545 N\n0.527130 0.984525 0.235873 N\n0.998363 0.498331 0.273848 N\n0.036286 0.766777 0.507103 N\n0.552436 0.821529 0.949848 N\n0.998550 0.512428 0.734971 N\n0.572435 0.802345 0.465283 N\n0.821877 0.776061 0.727817 O\n0.188349 0.174255 0.769858 O\n0.397164 0.173893 0.550190 O\n0.456147 0.998027 0.774700 O\n0.275519 0.731787 0.750457 O\n0.427181 0.178071 0.051632 O\n0.172240 0.397203 0.557271 O\n0.499669 0.445947 0.270684 O\n",
"nsites": 40,
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"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Sn",
"density": 6.988539792174477,
"density_atomic": 0.07477090507908081,
"volume": 534.9674443246921,
"volume_molar": 8.054123129351897,
"formula_full": "Sn16 N16 O8",
"formula_reduced": "Sn2N2O",
"formula_anonymous": "AB2C2",
"energy": -147.78827443999998,
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"updated_at": "2021-11-28T01:34:39.439000Z",
"spacegroup": 1
},
{
"id": "mp-768433",
"created_at": "2022-09-04T14:39:44.114747Z",
"structure_string": "Li24 Ti5 Cr7 O36\n1.0\n5.051745 0.000000 0.000000\n-0.796337 9.751691 0.000000\n-2.502140 -1.907251 13.036618\nLi Ti Cr O\n24 5 7 36\ndirect\n0.171223 0.998808 0.833083 Li\n0.051012 0.999220 0.613861 Li\n0.998895 0.750018 0.249723 Li\n0.333223 0.749463 0.917467 Li\n0.049984 0.499287 0.113112 Li\n0.374912 0.498394 0.778340 Li\n0.170997 0.498439 0.333379 Li\n0.506238 0.499723 0.998712 Li\n0.290530 0.500140 0.555540 Li\n0.333046 0.249639 0.417016 Li\n0.500754 0.000834 0.499609 Li\n0.283387 0.998905 0.053545 Li\n0.615959 0.000251 0.719436 Li\n0.380843 0.000071 0.280885 Li\n0.711960 0.000971 0.946578 Li\n0.664742 0.750739 0.582795 Li\n0.709086 0.500870 0.444971 Li\n0.835194 0.502512 0.665824 Li\n0.615173 0.500997 0.220684 Li\n0.951747 0.500903 0.887986 Li\n0.663623 0.250700 0.081808 Li\n0.835261 0.999870 0.166355 Li\n0.000211 0.249880 0.750578 Li\n0.951466 0.999228 0.386420 Li\n0.115807 0.255335 0.973669 Ti\n0.114807 0.751419 0.473149 Ti\n0.776937 0.747672 0.808142 Ti\n0.774562 0.246395 0.305199 Ti\n0.892756 0.249696 0.527644 Ti\n0.219366 0.749737 0.693997 Cr\n0.217076 0.249711 0.193052 Cr\n0.441177 0.248373 0.640645 Cr\n0.562816 0.250255 0.859803 Cr\n0.445698 0.751161 0.135870 Cr\n0.553213 0.748631 0.358562 Cr\n0.893078 0.750665 0.031695 Cr\n0.999040 0.863432 0.930583 O\n0.068612 0.633135 0.786745 O\n0.998400 0.364590 0.428931 O\n0.151576 0.363342 0.645208 O\n0.265066 0.364436 0.880489 O\n0.336924 0.864021 0.594558 O\n0.067756 0.133169 0.285639 O\n0.187955 0.135764 0.523049 O\n0.404602 0.134728 0.949747 O\n0.133907 0.861452 0.140479 O\n0.267754 0.864874 0.380065 O\n0.471399 0.862343 0.809264 O\n0.329607 0.139281 0.734763 O\n0.197918 0.637075 0.026959 O\n0.401313 0.633051 0.451551 O\n0.519954 0.638251 0.689769 O\n0.334983 0.640511 0.239242 O\n0.667613 0.637448 0.906640 O\n0.337890 0.364621 0.094371 O\n0.669943 0.361127 0.766148 O\n0.471867 0.361828 0.308208 O\n0.594771 0.364659 0.550579 O\n0.812261 0.364145 0.977424 O\n0.664089 0.861930 0.259033 O\n0.518451 0.138152 0.188157 O\n0.734595 0.136121 0.620068 O\n0.848566 0.136274 0.855996 O\n0.591519 0.864993 0.050374 O\n0.806540 0.862414 0.474927 O\n0.938071 0.864786 0.714543 O\n0.665853 0.135564 0.404350 O\n0.742088 0.635724 0.115738 O\n0.852089 0.637847 0.355199 O\n0.001411 0.637641 0.574808 O\n0.937934 0.364809 0.213332 O\n0.000924 0.137550 0.073929 O\n",
"nsites": 72,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.4798934826614456,
"density_atomic": 0.11211047812517623,
"volume": 642.2236458541267,
"volume_molar": 5.371612770463807,
"formula_full": "Li24 Ti5 Cr7 O36",
"formula_reduced": "Li24Ti5Cr7O36",
"formula_anonymous": "A5B7C24D36",
"energy": -514.03068888,
"energy_per_atom": -7.139315123333333,
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"updated_at": "2021-11-28T01:34:39.334000Z",
"spacegroup": 1
},
{
"id": "mp-1074265",
"created_at": "2022-09-04T14:39:44.131796Z",
"structure_string": "Mg8 Si14\n1.0\n3.914343 0.000000 0.000000\n-0.036809 7.068113 0.000000\n-0.179405 -1.962287 14.341867\nMg Si\n8 14\ndirect\n0.941844 0.117228 0.935667 Mg\n0.916660 0.275962 0.503563 Mg\n0.403472 0.049340 0.345630 Mg\n0.428184 0.494033 0.660602 Mg\n0.946354 0.549583 0.842154 Mg\n0.465670 0.729873 0.171521 Mg\n0.420977 0.572741 0.426171 Mg\n0.421879 0.991821 0.585011 Mg\n0.439057 0.414153 0.971021 Si\n0.464465 0.756274 0.955610 Si\n0.968739 0.861157 0.059004 Si\n0.945144 0.441683 0.082059 Si\n0.924811 0.666539 0.565423 Si\n0.916338 0.889792 0.454475 Si\n0.366863 0.357053 0.209224 Si\n0.433805 0.877929 0.809248 Si\n0.930281 0.218266 0.698283 Si\n0.466118 0.093652 0.089969 Si\n0.883079 0.343545 0.313803 Si\n0.433881 0.237518 0.809049 Si\n0.926750 0.860937 0.712216 Si\n0.951906 0.704591 0.303886 Si\n",
"nsites": 22,
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"elements": [
"Mg",
"Si"
],
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"id": "mp-1366322",
"created_at": "2022-09-04T14:39:44.349633Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.758654 0.000000 0.000000\n4.879814 8.471841 0.000000\n0.061303 0.050918 14.242120\nLi V P O\n8 6 16 58\ndirect\n0.776789 0.079724 0.450303 Li\n0.907420 0.682930 0.443655 Li\n0.767826 0.665560 0.942570 Li\n0.331793 0.096733 0.940407 Li\n0.312535 0.229323 0.437435 Li\n0.676818 0.907255 0.054723 Li\n0.223847 0.910110 0.560536 Li\n0.022719 0.051557 0.993848 Li\n0.566767 0.564365 0.746226 V\n0.429923 0.435103 0.251507 V\n0.565780 0.999703 0.250293 V\n0.433496 0.999758 0.751543 V\n0.996461 0.429852 0.756783 V\n0.001857 0.562963 0.240836 V\n0.917647 0.219298 0.156004 P\n0.772751 0.089933 0.663710 P\n0.913835 0.680368 0.658030 P\n0.664913 0.337989 0.871035 P\n0.667607 0.332140 0.367348 P\n0.769983 0.685341 0.158157 P\n0.685819 0.772096 0.339905 P\n0.314594 0.089675 0.159410 P\n0.685213 0.907520 0.841918 P\n0.318531 0.229933 0.653819 P\n0.223014 0.305320 0.835990 P\n0.327094 0.663130 0.634205 P\n0.338107 0.670754 0.132058 P\n0.080780 0.314038 0.341053 P\n0.225041 0.906390 0.338827 P\n0.082285 0.777051 0.839993 P\n0.985150 0.235519 0.425146 O\n0.916792 0.258440 0.673032 O\n0.774866 0.977453 0.930426 O\n0.741415 0.082015 0.163499 O\n0.922734 0.381955 0.165102 O\n0.810061 0.330936 0.826006 O\n0.906030 0.522170 0.678607 O\n0.990311 0.792911 0.918586 O\n0.914495 0.659078 0.168143 O\n0.663984 0.179856 0.321922 O\n0.619830 0.098799 0.684582 O\n0.814192 0.476788 0.319504 O\n0.676675 0.357937 0.974834 O\n0.680989 0.326040 0.470919 O\n0.674951 0.491060 0.825338 O\n0.471926 0.088133 0.175111 O\n0.510396 0.190239 0.836965 O\n0.744997 0.657767 0.664699 O\n0.787640 0.800152 0.243931 O\n0.776187 0.768597 0.421872 O\n0.778241 0.770382 0.068625 O\n0.617426 0.529066 0.172359 O\n0.513884 0.329101 0.334965 O\n0.656623 0.735345 0.833579 O\n0.480670 0.378315 0.678483 O\n0.334247 0.080026 0.661449 O\n0.792967 0.996270 0.751033 O\n0.762470 0.010230 0.573938 O\n0.239168 0.996342 0.427263 O\n0.660402 0.918031 0.340457 O\n0.525596 0.619235 0.324608 O\n0.344279 0.258409 0.173551 O\n0.472465 0.656503 0.680608 O\n0.384328 0.458732 0.829512 O\n0.205163 0.196331 0.914892 O\n0.256310 0.244619 0.562113 O\n0.200901 0.213153 0.738096 O\n0.249329 0.336717 0.341267 O\n0.492509 0.818288 0.175637 O\n0.529830 0.908130 0.830816 O\n0.327989 0.521869 0.175389 O\n0.349644 0.689488 0.028803 O\n0.327329 0.655783 0.530530 O\n0.180330 0.522622 0.683990 O\n0.378470 0.898915 0.320076 O\n0.330466 0.816627 0.670294 O\n0.086541 0.343571 0.836851 O\n0.999426 0.204534 0.249548 O\n0.992400 0.195487 0.072037 O\n0.092156 0.475257 0.316943 O\n0.189592 0.677172 0.175144 O\n0.077906 0.617129 0.832537 O\n0.256378 0.915784 0.839099 O\n0.237600 0.021290 0.068282 O\n0.203711 0.993086 0.248375 O\n0.078552 0.739307 0.338954 O\n0.996130 0.754591 0.567123 O\n0.013474 0.799551 0.740734 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5169663706908167,
"density_atomic": 0.07473780092740387,
"volume": 1177.4496828650108,
"volume_molar": 8.057690600034608,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -363.7570631,
"energy_per_atom": -4.133602989772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.2190631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1784255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.880000Z",
"spacegroup": 1
}
]
}