HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10388",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10386",
"results": [
{
"id": "mp-1347342",
"created_at": "2022-09-04T14:44:13.797551Z",
"structure_string": "Mg10 Si18\n1.0\n5.730380 0.000000 0.000000\n-2.144002 6.577961 0.000000\n-0.489162 -3.649559 13.092876\nMg Si\n10 18\ndirect\n0.426508 0.760949 0.674337 Mg\n0.759156 0.444406 0.383100 Mg\n0.648785 0.584368 0.546353 Mg\n0.223776 0.321372 0.407448 Mg\n0.041670 0.006734 0.619493 Mg\n0.165152 0.846206 0.444851 Mg\n0.496559 0.526845 0.142019 Mg\n0.188934 0.386981 0.921838 Mg\n0.444052 0.999588 0.112118 Mg\n0.410313 0.298664 0.756178 Mg\n0.072199 0.183761 0.121512 Si\n0.657363 0.654495 0.862320 Si\n0.477330 0.743568 0.330080 Si\n0.844711 0.274314 0.690374 Si\n0.866243 0.849583 0.249830 Si\n0.949976 0.014449 0.839593 Si\n0.803678 0.232154 0.244987 Si\n0.301874 0.855147 0.838472 Si\n0.073682 0.599843 0.223887 Si\n0.140742 0.462901 0.568777 Si\n0.659113 0.098932 0.930686 Si\n0.872215 0.865137 0.060839 Si\n0.359365 0.123929 0.276961 Si\n0.894054 0.608376 0.742058 Si\n0.775558 0.401083 0.021140 Si\n0.150633 0.704805 0.009994 Si\n0.551057 0.136195 0.547557 Si\n0.745181 0.015168 0.433004 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.518736682347822,
"density_atomic": 0.056734634308551454,
"volume": 493.52569803696855,
"volume_molar": 10.614575793771003,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -94.27188894,
"energy_per_atom": -3.366853176428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.54988894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.031000Z",
"spacegroup": 1
},
{
"id": "mp-1073678",
"created_at": "2022-09-04T14:44:13.694909Z",
"structure_string": "Mg4 Si8\n1.0\n1.734278 4.896709 0.000000\n-1.734278 4.896709 0.000000\n0.000000 3.288691 11.975603\nMg Si\n4 8\ndirect\n0.995675 0.995675 0.130620 Mg\n0.995847 0.995847 0.887815 Mg\n0.667319 0.667319 0.698367 Mg\n0.007055 0.007055 0.372248 Mg\n0.709522 0.709522 0.928299 Si\n0.294292 0.294292 0.049147 Si\n0.295016 0.295016 0.325780 Si\n0.986485 0.986485 0.616245 Si\n0.698924 0.698924 0.200752 Si\n0.347877 0.347877 0.773657 Si\n0.349664 0.349664 0.540197 Si\n0.676197 0.676197 0.476692 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.627998264519751,
"density_atomic": 0.05899712512342627,
"volume": 203.3997415110504,
"volume_molar": 10.207515616059672,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -46.77618313,
"energy_per_atom": -3.898015260833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.34418313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.892000Z",
"spacegroup": 8
},
{
"id": "mp-1255188",
"created_at": "2022-09-04T14:45:05.333340Z",
"structure_string": "Mg4 Si8\n1.0\n3.587654 0.506153 0.863519\n-1.040468 5.017974 -1.050377\n0.675397 -0.643939 12.917006\nMg Si\n4 8\ndirect\n0.336958 0.985589 0.935408 Mg\n0.630071 0.602609 0.059946 Mg\n0.835534 0.959557 0.285666 Mg\n0.104908 0.029302 0.711688 Mg\n0.986445 0.421574 0.193961 Si\n0.846443 0.593116 0.798509 Si\n0.911800 0.418064 0.604362 Si\n0.849792 0.512244 0.390397 Si\n0.239486 0.434296 0.884902 Si\n0.503718 0.127515 0.139303 Si\n0.462288 0.192394 0.509855 Si\n0.292759 0.724021 0.486262 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.282280562940744,
"density_atomic": 0.05123595162007644,
"volume": 234.21054202295494,
"volume_molar": 11.753740429484413,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.83461999,
"energy_per_atom": -3.9862183325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.402619990000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.160000Z",
"spacegroup": 1
},
{
"id": "mp-1073695",
"created_at": "2022-09-04T14:44:54.057968Z",
"structure_string": "Mg12 Si12\n1.0\n-5.560048 0.000000 0.000000\n-0.051649 -5.934791 0.000000\n1.132062 1.866283 13.643676\nMg Si\n12 12\ndirect\n0.780200 0.144709 0.993738 Mg\n0.897148 0.132242 0.657688 Mg\n0.049448 0.942396 0.316471 Mg\n0.605047 0.643845 0.980218 Mg\n0.800688 0.631348 0.654375 Mg\n0.487922 0.417963 0.316277 Mg\n0.081789 0.715523 0.849816 Mg\n0.255211 0.191070 0.514271 Mg\n0.959934 0.399158 0.186848 Mg\n0.222264 0.215328 0.849779 Mg\n0.382885 0.688770 0.506827 Mg\n0.520122 0.878560 0.182441 Mg\n0.280776 0.007716 0.018983 Si\n0.329633 0.875068 0.693970 Si\n0.550948 0.962934 0.379240 Si\n0.121366 0.503492 0.018461 Si\n0.309649 0.464281 0.692344 Si\n0.016154 0.464349 0.382637 Si\n0.664872 0.395299 0.804340 Si\n0.880933 0.828527 0.484755 Si\n0.460733 0.364224 0.119625 Si\n0.679137 0.979815 0.807216 Si\n0.740955 0.307887 0.484150 Si\n0.992100 0.857893 0.117879 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3188225702596377,
"density_atomic": 0.053308427750810884,
"volume": 450.21023902988645,
"volume_molar": 11.296789295963425,
"formula_full": "Mg12 Si12",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -82.44324322,
"energy_per_atom": -3.4351351341666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.29524322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.873000Z",
"spacegroup": 1
},
{
"id": "mp-1072994",
"created_at": "2022-09-04T14:45:08.428652Z",
"structure_string": "Mg8 Si12\n1.0\n4.488335 0.000000 0.000000\n2.030271 4.868639 0.000000\n0.917305 0.460138 16.542198\nMg Si\n8 12\ndirect\n0.906929 0.227114 0.699890 Mg\n0.093071 0.772886 0.300110 Mg\n0.581870 0.821858 0.596629 Mg\n0.418130 0.178142 0.403371 Mg\n0.411190 0.215011 0.199702 Mg\n0.588810 0.784989 0.800298 Mg\n0.085489 0.812686 0.097611 Mg\n0.914511 0.187314 0.902389 Mg\n0.875559 0.232403 0.525767 Si\n0.705344 0.604277 0.424037 Si\n0.294656 0.395723 0.575963 Si\n0.124441 0.767597 0.474233 Si\n0.637687 0.656057 0.194810 Si\n0.362313 0.343943 0.805190 Si\n0.374739 0.234543 0.024270 Si\n0.625261 0.765457 0.975730 Si\n0.799200 0.384017 0.075824 Si\n0.200800 0.615983 0.924176 Si\n0.132187 0.668928 0.694624 Si\n0.867813 0.331072 0.305376 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4413976991707593,
"density_atomic": 0.0553278689535259,
"volume": 361.48148082116677,
"volume_molar": 10.884461798191534,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -75.62944861999999,
"energy_per_atom": -3.7814724309999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.48144862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.451000Z",
"spacegroup": 2
},
{
"id": "mp-1073672",
"created_at": "2022-09-04T14:45:08.009153Z",
"structure_string": "Mg8 Si16\n1.0\n-6.083640 0.000000 0.000000\n-0.006788 -7.233384 0.000000\n1.361767 1.962481 9.469697\nMg Si\n8 16\ndirect\n0.420494 0.206536 0.637189 Mg\n0.528882 0.329195 0.125935 Mg\n0.086035 0.886269 0.363829 Mg\n0.968659 0.765536 0.875881 Mg\n0.579506 0.793464 0.362811 Mg\n0.471118 0.670805 0.874065 Mg\n0.913965 0.113731 0.636171 Mg\n0.031341 0.234464 0.124119 Mg\n0.625094 0.828754 0.655385 Si\n0.733160 0.935821 0.113620 Si\n0.281477 0.511229 0.412155 Si\n0.158745 0.387862 0.876593 Si\n0.374906 0.171246 0.344615 Si\n0.266840 0.064179 0.886380 Si\n0.718523 0.488771 0.587845 Si\n0.841255 0.612138 0.123407 Si\n0.880908 0.496023 0.360192 Si\n0.765546 0.392890 0.873154 Si\n0.228700 0.830899 0.643305 Si\n0.331558 0.930386 0.112093 Si\n0.119092 0.503977 0.639808 Si\n0.234454 0.607110 0.126846 Si\n0.771300 0.169101 0.356695 Si\n0.668442 0.069614 0.887907 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.565454728955423,
"density_atomic": 0.05759305692324258,
"volume": 416.7168975244032,
"volume_molar": 10.456365891510215,
"formula_full": "Mg8 Si16",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -95.27936878,
"energy_per_atom": -3.9699736991666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.41536878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.699000Z",
"spacegroup": 2
},
{
"id": "mp-1075793",
"created_at": "2022-09-04T14:45:18.486389Z",
"structure_string": "Mg12 Si8\n1.0\n5.209022 0.000000 0.000000\n0.973697 5.304000 0.000000\n0.368309 1.706429 14.007363\nMg Si\n12 8\ndirect\n0.584886 0.439422 0.754510 Mg\n0.149913 0.034955 0.758237 Mg\n0.676331 0.874742 0.870759 Mg\n0.062674 0.599828 0.629709 Mg\n0.937326 0.400172 0.370291 Mg\n0.792467 0.288319 0.001079 Mg\n0.850087 0.965045 0.241763 Mg\n0.415114 0.560578 0.245490 Mg\n0.766654 0.890082 0.467191 Mg\n0.323669 0.125258 0.129241 Mg\n0.207533 0.711681 0.998921 Mg\n0.233346 0.109918 0.532809 Mg\n0.305001 0.217584 0.931829 Si\n0.699851 0.374663 0.545989 Si\n0.061309 0.532292 0.819817 Si\n0.635860 0.002320 0.663466 Si\n0.300149 0.625337 0.454011 Si\n0.694999 0.782416 0.068171 Si\n0.364140 0.997680 0.336534 Si\n0.938691 0.467708 0.180183 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.215501976012729,
"density_atomic": 0.05167897664432057,
"volume": 387.0045674017418,
"volume_molar": 11.652979898280982,
"formula_full": "Mg12 Si8",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy": -61.79407889,
"energy_per_atom": -3.0897039445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.36207889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.721000Z",
"spacegroup": 2
},
{
"id": "mp-1074925",
"created_at": "2022-09-04T14:45:22.161519Z",
"structure_string": "Mg14 Si8\n1.0\n5.555955 0.000000 0.000000\n-1.079047 5.796336 0.000000\n-1.566347 -1.363110 13.441255\nMg Si\n14 8\ndirect\n0.297042 0.934397 0.194308 Mg\n0.156363 0.483863 0.278842 Mg\n0.904329 0.934557 0.354168 Mg\n0.646726 0.368913 0.327600 Mg\n0.976152 0.497751 0.039946 Mg\n0.144857 0.798100 0.549475 Mg\n0.219176 0.395979 0.863434 Mg\n0.392586 0.302057 0.667007 Mg\n0.454327 0.325055 0.076344 Mg\n0.514767 0.828219 0.999718 Mg\n0.024053 0.984028 0.965049 Mg\n0.343329 0.855644 0.768037 Mg\n0.804124 0.200425 0.530239 Mg\n0.622551 0.682736 0.547838 Mg\n0.669194 0.211329 0.877325 Si\n0.820963 0.107556 0.163598 Si\n0.758963 0.690024 0.180339 Si\n0.938287 0.502757 0.695993 Si\n0.725249 0.609615 0.836872 Si\n0.414735 0.926400 0.401096 Si\n0.280457 0.292568 0.456696 Si\n0.888109 0.060580 0.722348 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.167255395792464,
"density_atomic": 0.05082420433141907,
"volume": 432.86462207141324,
"volume_molar": 11.848962200628424,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.62381376,
"energy_per_atom": -2.8919915345454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.19181376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.395000Z",
"spacegroup": 1
},
{
"id": "mp-1073003",
"created_at": "2022-09-04T14:45:15.122381Z",
"structure_string": "Mg8 Si12\n1.0\n2.052903 4.916617 0.000000\n-2.052903 4.916617 0.000000\n0.000000 0.019389 17.924740\nMg Si\n8 12\ndirect\n0.113431 0.113431 0.797464 Mg\n0.471707 0.471707 0.199816 Mg\n0.839719 0.839719 0.905605 Mg\n0.745600 0.745600 0.084786 Mg\n0.756022 0.756022 0.289490 Mg\n0.816789 0.816789 0.705119 Mg\n0.203399 0.203399 0.422554 Mg\n0.088152 0.088152 0.596186 Mg\n0.176794 0.176794 0.970130 Si\n0.031250 0.031250 0.078413 Si\n0.554150 0.554150 0.909709 Si\n0.412927 0.412927 0.019899 Si\n0.048358 0.048358 0.296363 Si\n0.537557 0.537557 0.697595 Si\n0.519349 0.519349 0.481189 Si\n0.755193 0.755193 0.537864 Si\n0.903291 0.903291 0.426612 Si\n0.378027 0.378027 0.593209 Si\n0.391566 0.391566 0.805371 Si\n0.191380 0.191380 0.182817 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4389725656771817,
"density_atomic": 0.055272909670090416,
"volume": 361.840911205413,
"volume_molar": 10.895284500028293,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -75.35842552999999,
"energy_per_atom": -3.7679212764999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.21042553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.586000Z",
"spacegroup": 8
},
{
"id": "mp-1075573",
"created_at": "2022-09-04T14:45:17.705645Z",
"structure_string": "Mg10 Si12\n1.0\n4.316210 0.000000 0.000000\n-0.404608 8.523314 0.000000\n-2.032136 -0.379651 11.519602\nMg Si\n10 12\ndirect\n0.825970 0.910198 0.963728 Mg\n0.591679 0.410851 0.541869 Mg\n0.116274 0.110048 0.608608 Mg\n0.005456 0.910707 0.352612 Mg\n0.410998 0.777883 0.169531 Mg\n0.298826 0.215016 0.883384 Mg\n0.123340 0.689827 0.578332 Mg\n0.984980 0.283576 0.343733 Mg\n0.407792 0.401059 0.145653 Mg\n0.281323 0.618149 0.910864 Mg\n0.861355 0.372989 0.974802 Si\n0.856377 0.627254 0.075622 Si\n0.609589 0.881492 0.519904 Si\n0.504349 0.130858 0.435225 Si\n0.700484 0.815577 0.723671 Si\n0.894229 0.159773 0.109869 Si\n0.516367 0.647485 0.391791 Si\n0.163256 0.419838 0.699110 Si\n0.704627 0.538312 0.764056 Si\n0.963209 0.585903 0.283951 Si\n0.434416 0.086751 0.220846 Si\n0.245105 0.910081 0.799211 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2729268841120387,
"density_atomic": 0.05191276385109971,
"volume": 423.78787735328706,
"volume_molar": 11.600501135468686,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.45575746,
"energy_per_atom": -3.566170793636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.30775746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.030000Z",
"spacegroup": 1
},
{
"id": "mp-1075592",
"created_at": "2022-09-04T14:45:14.563216Z",
"structure_string": "Mg10 Si18\n1.0\n6.789761 0.000000 0.000000\n-3.040933 6.183459 0.000000\n-2.478524 -1.828631 12.836283\nMg Si\n10 18\ndirect\n0.447519 0.429198 0.701939 Mg\n0.712967 0.755963 0.442732 Mg\n0.566440 0.150108 0.524583 Mg\n0.238981 0.722937 0.358232 Mg\n0.007941 0.605604 0.591471 Mg\n0.161287 0.295634 0.465439 Mg\n0.573225 0.722632 0.084975 Mg\n0.307731 0.294191 0.928533 Mg\n0.361043 0.028397 0.116746 Mg\n0.629777 0.052054 0.903139 Mg\n0.079665 0.384458 0.091230 Si\n0.766863 0.495798 0.896494 Si\n0.335631 0.147503 0.324827 Si\n0.757191 0.972632 0.699062 Si\n0.666070 0.041679 0.304169 Si\n0.229046 0.935880 0.779963 Si\n0.757020 0.570742 0.242855 Si\n0.202367 0.563908 0.791897 Si\n0.947088 0.959143 0.244258 Si\n0.060013 0.017639 0.617572 Si\n0.914488 0.866952 0.858430 Si\n0.956997 0.006658 0.041876 Si\n0.371901 0.472668 0.252338 Si\n0.800278 0.339562 0.729381 Si\n0.713622 0.390039 0.075051 Si\n0.177155 0.640588 0.969051 Si\n0.428380 0.725328 0.571134 Si\n0.829257 0.411970 0.392456 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3065734163465748,
"density_atomic": 0.05195564911543929,
"volume": 538.921185216786,
"volume_molar": 11.590925842576844,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -108.3366713,
"energy_per_atom": -3.869166832142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.6146713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.480000Z",
"spacegroup": 1
},
{
"id": "mp-1075405",
"created_at": "2022-09-04T14:45:18.074413Z",
"structure_string": "Mg10 Si12\n1.0\n2.014839 14.391884 0.000000\n-2.014839 14.391884 0.000000\n0.000000 1.475396 6.935458\nMg Si\n10 12\ndirect\n0.361218 0.361218 0.042173 Mg\n0.103417 0.103417 0.430728 Mg\n0.681984 0.681984 0.179405 Mg\n0.525479 0.525479 0.693562 Mg\n0.931499 0.931499 0.785297 Mg\n0.298387 0.298387 0.486551 Mg\n0.639511 0.639511 0.707334 Mg\n0.567269 0.567269 0.154960 Mg\n0.886977 0.886977 0.360655 Mg\n0.809276 0.809276 0.816444 Mg\n0.803246 0.803246 0.204387 Si\n0.375560 0.375560 0.651729 Si\n0.075437 0.075437 0.834201 Si\n0.135226 0.135226 0.028588 Si\n0.255979 0.255979 0.146765 Si\n0.450608 0.450608 0.093543 Si\n0.007491 0.007491 0.417976 Si\n0.199050 0.199050 0.459361 Si\n0.732983 0.732983 0.634713 Si\n0.454286 0.454286 0.444486 Si\n0.000807 0.000807 0.064962 Si\n0.218599 0.218599 0.865920 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3948088510304832,
"density_atomic": 0.0546965004554633,
"volume": 402.2195170953127,
"volume_molar": 11.01010249257818,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.87824026999999,
"energy_per_atom": -3.585374557727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.73024027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.398000Z",
"spacegroup": 8
}
]
}