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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10405",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10403",
"results": [
{
"id": "mp-1100708",
"created_at": "2022-09-04T14:46:56.257019Z",
"structure_string": "Mg10 Si12\n1.0\n4.031728 0.000000 0.000000\n0.000000 6.583145 0.000000\n0.000000 1.363693 15.112809\nMg Si\n10 12\ndirect\n0.500000 0.994927 0.037111 Mg\n0.500000 0.173548 0.469207 Mg\n0.000000 0.103051 0.329427 Mg\n0.000000 0.844685 0.533703 Mg\n0.000000 0.701037 0.961375 Mg\n0.000000 0.295990 0.123323 Mg\n0.000000 0.520873 0.387339 Mg\n0.000000 0.322798 0.616320 Mg\n0.000000 0.230130 0.885723 Mg\n0.000000 0.763180 0.206149 Mg\n0.500000 0.392628 0.989623 Si\n0.500000 0.566874 0.840449 Si\n0.500000 0.004227 0.646385 Si\n0.500000 0.565426 0.511255 Si\n0.500000 0.059854 0.210696 Si\n0.500000 0.265018 0.751207 Si\n0.500000 0.622262 0.665903 Si\n0.500000 0.409596 0.263195 Si\n0.500000 0.603138 0.109964 Si\n0.000000 0.793479 0.747572 Si\n0.500000 0.942096 0.853191 Si\n0.500000 0.825453 0.364382 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4013980600523137,
"density_atomic": 0.05484699542048258,
"volume": 401.1158648042206,
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"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -77.34324158,
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"energy_uncorrected": -78.19524158,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 4.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.868000Z",
"spacegroup": 6
},
{
"id": "mp-1074542",
"created_at": "2022-09-04T14:46:55.790242Z",
"structure_string": "Mg16 Si12\n1.0\n7.235208 0.848840 3.734510\n-2.137020 10.226892 -4.350457\n-0.160188 -0.520654 7.058731\nMg Si\n16 12\ndirect\n0.025396 0.109163 0.739258 Mg\n0.327948 0.071768 0.902239 Mg\n0.216531 0.647564 0.770318 Mg\n0.495771 0.783877 0.105746 Mg\n0.962238 0.193248 0.327368 Mg\n0.631150 0.074864 0.062674 Mg\n0.008807 0.613324 0.217161 Mg\n0.713646 0.488421 0.930326 Mg\n0.087170 0.371771 0.726995 Mg\n0.562251 0.281190 0.570234 Mg\n0.191238 0.827057 0.582100 Mg\n0.719495 0.612884 0.638826 Mg\n0.479274 0.410713 0.337932 Mg\n0.228911 0.332296 0.038179 Mg\n0.694597 0.978689 0.474694 Mg\n0.128667 0.907945 0.228298 Mg\n0.843911 0.341566 0.143421 Si\n0.384015 0.515139 0.867379 Si\n0.934633 0.947516 0.996893 Si\n0.492609 0.846632 0.765275 Si\n0.286044 0.167371 0.353703 Si\n0.708544 0.231571 0.812118 Si\n0.609775 0.690901 0.381014 Si\n0.849656 0.745155 0.071081 Si\n0.315274 0.584088 0.294430 Si\n0.012590 0.472245 0.476802 Si\n0.390113 0.027120 0.455636 Si\n0.842909 0.861792 0.646721 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.276124198954243,
"density_atomic": 0.05287184964806525,
"volume": 529.5823805366833,
"volume_molar": 11.390070141456398,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -88.56539368,
"energy_per_atom": -3.163049774285714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -89.41739368,
"band_gap": 0.0,
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"total_magnetization": 0.0033709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.149000Z",
"spacegroup": 1
},
{
"id": "mp-1075649",
"created_at": "2022-09-04T14:46:55.067865Z",
"structure_string": "Mg10 Si18\n1.0\n6.741095 0.000000 0.000000\n-3.222983 -6.418848 0.000000\n-1.212756 0.456796 -12.561557\nMg Si\n10 18\ndirect\n0.604905 0.997431 0.708269 Mg\n0.745491 0.043038 0.412267 Mg\n0.201764 0.669334 0.533068 Mg\n0.744974 0.448139 0.344768 Mg\n0.772123 0.702693 0.573646 Mg\n0.341474 0.212593 0.490051 Mg\n0.544433 0.077425 0.087501 Mg\n0.353484 0.171905 0.865734 Mg\n0.989556 0.494551 0.102949 Mg\n0.011338 0.349605 0.868457 Mg\n0.268025 0.251109 0.168965 Si\n0.481934 0.622699 0.917005 Si\n0.003724 0.868244 0.352953 Si\n0.117935 0.265123 0.652198 Si\n0.129254 0.397940 0.299050 Si\n0.007796 0.748414 0.808172 Si\n0.402727 0.744170 0.238202 Si\n0.697570 0.417847 0.739369 Si\n0.755488 0.795809 0.186545 Si\n0.174083 0.958314 0.663040 Si\n0.827669 0.922694 0.886067 Si\n0.929448 0.067249 0.061758 Si\n0.369250 0.044839 0.293742 Si\n0.438280 0.563946 0.723354 Si\n0.239328 0.756449 0.963649 Si\n0.572367 0.473299 0.073894 Si\n0.811201 0.325560 0.575754 Si\n0.463930 0.609460 0.409303 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2869755737898894,
"density_atomic": 0.051514207007384676,
"volume": 543.5393773214084,
"volume_molar": 11.690252281543835,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -109.40887143,
"energy_per_atom": -3.9074596939285717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.68687143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.685000Z",
"spacegroup": 1
},
{
"id": "mp-1074350",
"created_at": "2022-09-04T14:44:28.023393Z",
"structure_string": "Mg8 Si6\n1.0\n5.481718 0.000000 0.000000\n-1.940277 7.263935 0.000000\n-2.691099 -2.725303 6.761431\nMg Si\n8 6\ndirect\n0.292272 0.758669 0.316628 Mg\n0.037308 0.963345 0.031732 Mg\n0.479310 0.596105 0.676206 Mg\n0.946560 0.388308 0.884472 Mg\n0.573433 0.495688 0.053182 Mg\n0.380682 0.026256 0.752423 Mg\n0.898132 0.597651 0.529014 Mg\n0.722173 0.196733 0.201683 Mg\n0.051810 0.234121 0.567788 Si\n0.490161 0.222697 0.494747 Si\n0.424273 0.796537 0.001698 Si\n0.292441 0.374961 0.258499 Si\n0.805772 0.958775 0.653482 Si\n0.855574 0.890082 0.328295 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2385779831441552,
"density_atomic": 0.051999692549574386,
"volume": 269.2323610693077,
"volume_molar": 11.581108396475107,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.81278493,
"energy_per_atom": -3.129484637857143,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -44.23878493,
"band_gap": 0.0,
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"total_magnetization": 0.0008681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.979000Z",
"spacegroup": 1
},
{
"id": "mp-1075651",
"created_at": "2022-09-04T14:44:29.718740Z",
"structure_string": "Mg10 Si18\n1.0\n5.910592 0.000000 0.000000\n2.454333 6.543808 0.000000\n1.766672 0.864738 12.856825\nMg Si\n10 18\ndirect\n0.631547 0.971342 0.288339 Mg\n0.904260 0.855752 0.530202 Mg\n0.124647 0.328329 0.487117 Mg\n0.729005 0.512003 0.665921 Mg\n0.649670 0.287282 0.422603 Mg\n0.380297 0.881969 0.540424 Mg\n0.570846 0.937025 0.942761 Mg\n0.288618 0.899134 0.147369 Mg\n0.242870 0.281861 0.809686 Mg\n0.940155 0.688928 0.112098 Mg\n0.348727 0.646512 0.862268 Si\n0.452913 0.517799 0.050685 Si\n0.979057 0.089465 0.683648 Si\n0.082325 0.695581 0.326437 Si\n0.969598 0.735969 0.778148 Si\n0.962747 0.277154 0.198824 Si\n0.559971 0.190195 0.625062 Si\n0.617474 0.575802 0.253670 Si\n0.764834 0.240019 0.854263 Si\n0.108241 0.026869 0.353249 Si\n0.730562 0.142057 0.092915 Si\n0.051752 0.970213 0.954252 Si\n0.527131 0.885776 0.742032 Si\n0.348442 0.379798 0.264534 Si\n0.208219 0.303475 0.028619 Si\n0.840193 0.512210 0.936702 Si\n0.733924 0.631102 0.421009 Si\n0.251573 0.536536 0.627402 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4997540235777125,
"density_atomic": 0.056307049237402894,
"volume": 497.27343874735556,
"volume_molar": 10.695180872663617,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.40641297,
"energy_per_atom": -3.835943320357143,
"energy_above_hull": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.68441297,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0016973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.007000Z",
"spacegroup": 1
},
{
"id": "mp-1073911",
"created_at": "2022-09-04T14:44:30.907332Z",
"structure_string": "Mg12 Si10\n1.0\n4.151832 0.000000 0.000000\n0.000000 7.068238 0.000000\n0.000000 0.801114 14.010850\nMg Si\n12 10\ndirect\n0.500000 0.613702 0.953314 Mg\n0.500000 0.243089 0.519560 Mg\n0.000000 0.771202 0.284289 Mg\n0.500000 0.013136 0.772787 Mg\n0.500000 0.516125 0.707987 Mg\n0.500000 0.475185 0.207945 Mg\n0.000000 0.978565 0.457136 Mg\n0.000000 0.556508 0.540665 Mg\n0.000000 0.334095 0.839399 Mg\n0.500000 0.960148 0.126447 Mg\n0.000000 0.326789 0.059086 Mg\n0.000000 0.951322 0.954230 Mg\n0.500000 0.810882 0.569995 Si\n0.500000 0.612168 0.401442 Si\n0.000000 0.690374 0.099253 Si\n0.000000 0.711349 0.815099 Si\n0.000000 0.230156 0.657168 Si\n0.000000 0.377721 0.369391 Si\n0.000000 0.173858 0.234816 Si\n0.000000 0.879069 0.660733 Si\n0.500000 0.207063 0.951247 Si\n0.500000 0.063807 0.321530 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3121741807542904,
"density_atomic": 0.053506588373220386,
"volume": 411.16431955154934,
"volume_molar": 11.254951853768409,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -71.79626180000001,
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"energy_above_hull": null,
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"energy_uncorrected": -72.5062618,
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"updated_at": "2021-11-28T01:36:46.519000Z",
"spacegroup": 6
},
{
"id": "mp-1075818",
"created_at": "2022-09-04T14:44:31.442062Z",
"structure_string": "Mg12 Si8\n1.0\n5.353620 0.000000 0.000000\n-0.213806 5.532650 0.000000\n-1.744287 -2.728121 12.952152\nMg Si\n12 8\ndirect\n0.443703 0.264157 0.044553 Mg\n0.556297 0.735843 0.955447 Mg\n0.027339 0.663146 0.111897 Mg\n0.972661 0.336854 0.888103 Mg\n0.205264 0.598934 0.730452 Mg\n0.794736 0.401066 0.269548 Mg\n0.847727 0.737904 0.508593 Mg\n0.152273 0.262096 0.491407 Mg\n0.666002 0.293131 0.641381 Mg\n0.333998 0.706869 0.358619 Mg\n0.267611 0.145753 0.249784 Mg\n0.732389 0.854247 0.750216 Mg\n0.540574 0.741604 0.171314 Si\n0.459426 0.258396 0.828686 Si\n0.940760 0.152123 0.069729 Si\n0.059240 0.847877 0.930271 Si\n0.150911 0.077994 0.675990 Si\n0.849089 0.922006 0.324010 Si\n0.375983 0.758279 0.570483 Si\n0.624017 0.241721 0.429517 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2349384173935176,
"density_atomic": 0.05213235263361859,
"volume": 383.6389303310014,
"volume_molar": 11.551638197345618,
"formula_full": "Mg12 Si8",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy": -61.66076976,
"energy_per_atom": -3.083038488,
"energy_above_hull": null,
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"energy_uncorrected": -62.228769760000006,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.464000Z",
"spacegroup": 2
},
{
"id": "mp-1074475",
"created_at": "2022-09-04T14:44:41.072172Z",
"structure_string": "Mg8 Si6\n1.0\n6.109395 0.000000 0.000000\n-1.545382 6.823558 0.000000\n-2.006925 -3.320560 6.413783\nMg Si\n8 6\ndirect\n0.567905 0.256740 0.168637 Mg\n0.871870 0.143858 0.914128 Mg\n0.824321 0.665251 0.611452 Mg\n0.752331 0.908261 0.293959 Mg\n0.432095 0.743260 0.831363 Mg\n0.128130 0.856142 0.085872 Mg\n0.247669 0.091739 0.706041 Mg\n0.175679 0.334749 0.388548 Mg\n0.683048 0.477973 0.908476 Si\n0.455972 0.816722 0.495637 Si\n0.007772 0.629583 0.295662 Si\n0.992228 0.370417 0.704338 Si\n0.316952 0.522027 0.091524 Si\n0.544028 0.183278 0.504363 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.254115332957083,
"density_atomic": 0.05236060801438775,
"volume": 267.37657431619306,
"volume_molar": 11.501281188990825,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.74551698,
"energy_per_atom": -3.124679784285714,
"energy_above_hull": null,
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"energy_uncorrected": -44.17151698,
"band_gap": 0.0,
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"total_magnetization": 0.0001739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.688000Z",
"spacegroup": 2
},
{
"id": "mp-1075363",
"created_at": "2022-09-04T14:43:41.873522Z",
"structure_string": "Mg10 Si12\n1.0\n4.630651 0.000000 0.000000\n1.700930 5.741819 0.000000\n1.058000 0.177822 16.144841\nMg Si\n10 12\ndirect\n0.075132 0.682594 0.029068 Mg\n0.829895 0.527221 0.362582 Mg\n0.502806 0.227087 0.693781 Mg\n0.273045 0.969192 0.341073 Mg\n0.938356 0.839715 0.207221 Mg\n0.249737 0.391132 0.866284 Mg\n0.201262 0.687044 0.537315 Mg\n0.952408 0.238075 0.540634 Mg\n0.652396 0.385071 0.119810 Mg\n0.611571 0.789154 0.814631 Mg\n0.467375 0.976645 0.967242 Si\n0.676319 0.499352 0.952703 Si\n0.749561 0.969569 0.425600 Si\n0.545300 0.957725 0.565882 Si\n0.942977 0.069139 0.922712 Si\n0.472617 0.894322 0.111947 Si\n0.357863 0.485642 0.277833 Si\n0.743721 0.610004 0.646957 Si\n0.165460 0.666869 0.722699 Si\n0.393252 0.350766 0.423842 Si\n0.171476 0.227361 0.193921 Si\n0.023999 0.060116 0.772762 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.243926739947128,
"density_atomic": 0.05125041186511887,
"volume": 429.2648429421353,
"volume_molar": 11.750424125076506,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.48751331999999,
"energy_per_atom": -3.5676142418181813,
"energy_above_hull": null,
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"energy_uncorrected": -79.33951332,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.738000Z",
"spacegroup": 1
},
{
"id": "mp-1073539",
"created_at": "2022-09-04T14:43:37.232130Z",
"structure_string": "Mg8 Si16\n1.0\n6.686853 0.000000 0.000000\n0.928806 7.210199 0.000000\n0.317627 1.113766 9.559012\nMg Si\n8 16\ndirect\n0.346800 0.687539 0.823154 Mg\n0.653200 0.312461 0.176846 Mg\n0.906406 0.307789 0.483763 Mg\n0.215342 0.039780 0.281611 Mg\n0.481460 0.340341 0.637922 Mg\n0.518540 0.659659 0.362078 Mg\n0.784658 0.960220 0.718389 Mg\n0.093594 0.692211 0.516237 Mg\n0.164242 0.006808 0.951366 Si\n0.292340 0.355919 0.385463 Si\n0.590931 0.112339 0.432187 Si\n0.363268 0.773659 0.100996 Si\n0.156590 0.082339 0.696165 Si\n0.707237 0.708838 0.029381 Si\n0.636732 0.226341 0.899004 Si\n0.220678 0.487016 0.151305 Si\n0.707660 0.644081 0.614537 Si\n0.292763 0.291162 0.970619 Si\n0.779322 0.512984 0.848695 Si\n0.843410 0.917661 0.303835 Si\n0.112294 0.426904 0.761092 Si\n0.409069 0.887661 0.567813 Si\n0.887706 0.573096 0.238908 Si\n0.835758 0.993192 0.048634 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.319655185710944,
"density_atomic": 0.05207499148010363,
"volume": 460.87381520109733,
"volume_molar": 11.564362448913483,
"formula_full": "Mg8 Si16",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
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"energy_uncorrected": -97.04261039,
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"updated_at": "2021-11-28T01:36:18.035000Z",
"spacegroup": 2
},
{
"id": "mp-1074044",
"created_at": "2022-09-04T14:43:34.173766Z",
"structure_string": "Mg18 Si10\n1.0\n7.175738 0.000000 0.000000\n-3.527746 6.357542 0.000000\n-3.372590 -1.997788 12.194100\nMg Si\n18 10\ndirect\n0.065657 0.434257 0.623417 Mg\n0.782582 0.553750 0.452001 Mg\n0.575228 0.699963 0.615541 Mg\n0.257943 0.269397 0.466488 Mg\n0.305501 0.939224 0.623043 Mg\n0.566025 0.049930 0.458063 Mg\n0.062147 0.223310 0.108030 Mg\n0.264321 0.550347 0.954082 Mg\n0.581700 0.432902 0.101318 Mg\n0.801449 0.796648 0.957137 Mg\n0.662520 0.864521 0.159324 Mg\n0.549454 0.061329 0.951600 Mg\n0.843884 0.286682 0.288194 Mg\n0.018473 0.742116 0.784292 Mg\n0.405786 0.585823 0.302298 Mg\n0.426052 0.350718 0.783827 Mg\n0.065017 0.637538 0.143088 Mg\n0.817684 0.139206 0.781717 Mg\n0.078805 0.873846 0.318543 Si\n0.833987 0.933347 0.399231 Si\n0.982103 0.027913 0.617471 Si\n0.186864 0.126938 0.928771 Si\n0.411988 0.209670 0.285264 Si\n0.424127 0.742484 0.787559 Si\n0.340242 0.014640 0.106596 Si\n0.842068 0.451771 0.931769 Si\n0.650077 0.358353 0.625485 Si\n0.198347 0.643405 0.445631 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.144255867422837,
"density_atomic": 0.05033295959171193,
"volume": 556.2955214064268,
"volume_molar": 11.964606907382485,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -82.44789257000001,
"energy_per_atom": -2.9445675917857144,
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"is_stable": null,
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"updated_at": "2021-11-28T01:36:26Z",
"spacegroup": 1
},
{
"id": "mp-1075720",
"created_at": "2022-09-04T14:43:33.701898Z",
"structure_string": "Mg10 Si18\n1.0\n5.427374 0.000000 0.000000\n-2.030427 7.120939 0.000000\n-1.901876 -0.661497 12.542551\nMg Si\n10 18\ndirect\n0.191121 0.001440 0.733181 Mg\n0.828189 0.939237 0.438204 Mg\n0.573141 0.568431 0.526953 Mg\n0.533366 0.605024 0.278690 Mg\n0.970183 0.317153 0.552004 Mg\n0.385953 0.143846 0.520859 Mg\n0.226009 0.926044 0.284054 Mg\n0.378144 0.726456 0.886727 Mg\n0.050530 0.186722 0.102133 Mg\n0.821661 0.491549 0.943262 Mg\n0.783471 0.761830 0.091237 Si\n0.210780 0.289202 0.886303 Si\n0.122665 0.274256 0.346006 Si\n0.721822 0.713428 0.759434 Si\n0.009503 0.541448 0.169873 Si\n0.756210 0.228645 0.766687 Si\n0.631822 0.280427 0.351078 Si\n0.038315 0.567231 0.712090 Si\n0.593182 0.272832 0.134244 Si\n0.662728 0.950120 0.639132 Si\n0.927516 0.936998 0.925841 Si\n0.311721 0.913497 0.070621 Si\n0.709061 0.991502 0.221232 Si\n0.406785 0.395877 0.721760 Si\n0.560629 0.110452 0.935205 Si\n0.349227 0.523975 0.059953 Si\n0.189592 0.754032 0.561368 Si\n0.056788 0.588487 0.381630 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5643638602098693,
"density_atomic": 0.057762388130011465,
"volume": 484.74450081561133,
"volume_molar": 10.425712916241238,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.35463225,
"energy_per_atom": -3.834094008928571,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -108.63263225,
"band_gap": 0.0,
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"total_magnetization": 0.0021531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.844000Z",
"spacegroup": 1
}
]
}