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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10407",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10405",
"results": [
{
"id": "mp-1073594",
"created_at": "2022-09-04T14:39:46.418176Z",
"structure_string": "Mg4 Si8\n1.0\n3.483130 0.000000 0.000000\n0.000000 6.918007 0.000000\n0.000000 3.216358 8.422078\nMg Si\n4 8\ndirect\n0.500000 0.055462 0.728997 Mg\n0.000000 0.329192 0.151102 Mg\n0.000000 0.670808 0.848898 Mg\n0.500000 0.944538 0.271003 Mg\n0.000000 0.000000 0.500000 Si\n0.500000 0.705047 0.095761 Si\n0.500000 0.294953 0.904239 Si\n0.500000 0.715537 0.597163 Si\n0.000000 0.567948 0.344422 Si\n0.000000 0.432052 0.655578 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.284463 0.402837 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.6339378945362464,
"density_atomic": 0.059130466571935214,
"volume": 202.94106736670835,
"volume_molar": 10.184497280558002,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -46.9017877,
"energy_per_atom": -3.9084823083333333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -47.4697877,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.271000Z",
"spacegroup": 10
},
{
"id": "mp-1074468",
"created_at": "2022-09-04T14:39:48.356362Z",
"structure_string": "Mg16 Si12\n1.0\n6.555760 0.000000 0.000000\n-1.651396 6.783600 0.000000\n-0.365029 -2.381291 12.584849\nMg Si\n16 12\ndirect\n0.580515 0.012606 0.899910 Mg\n0.645188 0.537865 0.882697 Mg\n0.076160 0.851581 0.440837 Mg\n0.117604 0.524185 0.251145 Mg\n0.036859 0.901979 0.951394 Mg\n0.032788 0.297082 0.836844 Mg\n0.522790 0.818089 0.358804 Mg\n0.377557 0.226861 0.354607 Mg\n0.333780 0.875297 0.653285 Mg\n0.409797 0.419856 0.655412 Mg\n0.940278 0.871994 0.211219 Mg\n0.895198 0.209503 0.388112 Mg\n0.952220 0.467063 0.627533 Mg\n0.836690 0.848397 0.729058 Mg\n0.565427 0.487621 0.156316 Mg\n0.483243 0.951068 0.147334 Mg\n0.722359 0.037016 0.552337 Si\n0.257967 0.545716 0.474354 Si\n0.333816 0.265074 0.972890 Si\n0.932882 0.544841 0.049382 Si\n0.266204 0.673952 0.814072 Si\n0.649942 0.202930 0.725803 Si\n0.749598 0.523725 0.355198 Si\n0.197918 0.183626 0.137877 Si\n0.646367 0.655784 0.528398 Si\n0.081434 0.107847 0.621346 Si\n0.292812 0.614442 0.000441 Si\n0.843561 0.200837 0.087529 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1537644139130867,
"density_atomic": 0.05002956706935627,
"volume": 559.669044530876,
"volume_molar": 12.037163447070157,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -88.10493251999999,
"energy_per_atom": -3.1466047328571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.95693252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.516000Z",
"spacegroup": 1
},
{
"id": "mp-1185634",
"created_at": "2022-09-04T14:39:48.385663Z",
"structure_string": "Mg149 Si1\n1.0\n13.803199 -7.969378 0.000000\n-0.000082 15.938611 0.000000\n0.000000 0.000000 15.539113\nMg Si\n149 1\ndirect\n0.803886 0.001396 -0.000000 Mg\n0.197510 0.001393 -0.000000 Mg\n0.998603 0.196114 -0.000000 Mg\n0.197513 0.196119 -0.000000 Mg\n0.398936 0.199473 -0.000000 Mg\n0.800535 0.199466 -0.000000 Mg\n0.599884 0.199775 -0.000000 Mg\n0.198968 0.397936 -0.000000 Mg\n0.399465 0.399527 -0.000000 Mg\n0.000062 0.399537 -0.000000 Mg\n0.599884 0.400117 -0.000000 Mg\n0.800225 0.400117 -0.000000 Mg\n0.400161 0.599839 -0.000000 Mg\n0.199685 0.599843 -0.000000 Mg\n0.600472 0.600535 -0.000000 Mg\n0.000062 0.600524 -0.000000 Mg\n0.800526 0.601063 -0.000000 Mg\n0.400158 0.800317 -0.000000 Mg\n0.198969 0.801032 -0.000000 Mg\n0.602063 0.801031 -0.000000 Mg\n0.998605 0.802489 -0.000000 Mg\n0.803882 0.802487 -0.000000 Mg\n0.600463 0.999937 -0.000000 Mg\n0.399476 0.999937 -0.000000 Mg\n0.065243 0.130491 0.163710 Mg\n0.065248 0.934752 0.163711 Mg\n0.869509 0.934758 0.163710 Mg\n0.266000 0.332111 0.165496 Mg\n0.066111 0.332111 0.165496 Mg\n0.667888 0.734000 0.165496 Mg\n0.066115 0.734004 0.165497 Mg\n0.265996 0.933885 0.165498 Mg\n0.667888 0.933889 0.165496 Mg\n0.266385 0.532769 0.166243 Mg\n0.467231 0.733615 0.166243 Mg\n0.266387 0.733613 0.166242 Mg\n0.066654 0.533330 0.165951 Mg\n0.466675 0.533325 0.165958 Mg\n0.466670 0.933346 0.165952 Mg\n0.466751 0.133365 0.166197 Mg\n0.666611 0.133362 0.166201 Mg\n0.866638 0.333388 0.166202 Mg\n0.466753 0.333388 0.166200 Mg\n0.866634 0.533249 0.166197 Mg\n0.666612 0.533247 0.166200 Mg\n0.666666 0.333333 0.166512 Mg\n0.866112 0.133887 0.167151 Mg\n0.267775 0.133886 0.167149 Mg\n0.866114 0.732225 0.167149 Mg\n0.999999 0.000001 0.332514 Mg\n0.199021 0.999794 0.333175 Mg\n0.800775 0.999798 0.333176 Mg\n0.199023 0.199227 0.333174 Mg\n0.000201 0.199224 0.333176 Mg\n0.800772 0.800977 0.333174 Mg\n0.000205 0.800979 0.333175 Mg\n0.199941 0.399881 0.332585 Mg\n0.199937 0.800062 0.332585 Mg\n0.600118 0.800058 0.332585 Mg\n0.399676 0.999920 0.332912 Mg\n0.600249 0.999931 0.332912 Mg\n0.000071 0.399751 0.332912 Mg\n0.399681 0.399753 0.332913 Mg\n0.600247 0.600320 0.332913 Mg\n0.000080 0.600325 0.332912 Mg\n0.600011 0.200026 0.332699 Mg\n0.600010 0.399991 0.332694 Mg\n0.799975 0.399989 0.332699 Mg\n0.399903 0.199951 0.333023 Mg\n0.800051 0.199950 0.333028 Mg\n0.800049 0.600097 0.333024 Mg\n0.200088 0.600044 0.332669 Mg\n0.399961 0.600040 0.332668 Mg\n0.399957 0.799913 0.332669 Mg\n0.066374 0.132751 0.500000 Mg\n0.866982 0.133016 0.500000 Mg\n0.266036 0.133019 0.500000 Mg\n0.666406 0.132925 0.500000 Mg\n0.466524 0.132927 0.500000 Mg\n0.266477 0.332857 0.500000 Mg\n0.066387 0.332862 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.867075 0.333595 0.500000 Mg\n0.466519 0.333593 0.500000 Mg\n0.666406 0.533481 0.500000 Mg\n0.867074 0.533476 0.500000 Mg\n0.266253 0.532512 0.500000 Mg\n0.066449 0.533222 0.500000 Mg\n0.466778 0.533223 0.500000 Mg\n0.467487 0.733747 0.500000 Mg\n0.266252 0.733748 0.500000 Mg\n0.667143 0.733524 0.500000 Mg\n0.066387 0.733532 0.500000 Mg\n0.866981 0.733964 0.500000 Mg\n0.466779 0.933552 0.500000 Mg\n0.066376 0.933623 0.500000 Mg\n0.867249 0.933626 0.500000 Mg\n0.667138 0.933612 0.500000 Mg\n0.266467 0.933613 0.500000 Mg\n0.200088 0.600044 0.667330 Mg\n0.399961 0.600040 0.667331 Mg\n0.399957 0.799913 0.667330 Mg\n0.399903 0.199951 0.666976 Mg\n0.800051 0.199950 0.666971 Mg\n0.800049 0.600097 0.666975 Mg\n0.600011 0.200026 0.667301 Mg\n0.600010 0.399991 0.667306 Mg\n0.799975 0.399989 0.667301 Mg\n0.399676 0.999920 0.667087 Mg\n0.600249 0.999931 0.667087 Mg\n0.000071 0.399751 0.667087 Mg\n0.399681 0.399753 0.667086 Mg\n0.600247 0.600320 0.667086 Mg\n0.000080 0.600325 0.667087 Mg\n0.199941 0.399881 0.667415 Mg\n0.199937 0.800062 0.667415 Mg\n0.600118 0.800058 0.667415 Mg\n0.199021 0.999794 0.666825 Mg\n0.800775 0.999798 0.666824 Mg\n0.199023 0.199227 0.666826 Mg\n0.000201 0.199224 0.666824 Mg\n0.800772 0.800977 0.666826 Mg\n0.000205 0.800979 0.666825 Mg\n0.999999 0.000001 0.667486 Mg\n0.866112 0.133887 0.832849 Mg\n0.267775 0.133886 0.832851 Mg\n0.866114 0.732225 0.832851 Mg\n0.666666 0.333333 0.833487 Mg\n0.466751 0.133365 0.833803 Mg\n0.666611 0.133362 0.833799 Mg\n0.866638 0.333388 0.833798 Mg\n0.466753 0.333388 0.833800 Mg\n0.866634 0.533249 0.833803 Mg\n0.666612 0.533247 0.833800 Mg\n0.066654 0.533330 0.834048 Mg\n0.466675 0.533325 0.834041 Mg\n0.466670 0.933346 0.834047 Mg\n0.266385 0.532769 0.833756 Mg\n0.467231 0.733615 0.833756 Mg\n0.266387 0.733613 0.833757 Mg\n0.266000 0.332111 0.834504 Mg\n0.066111 0.332111 0.834504 Mg\n0.667888 0.734000 0.834504 Mg\n0.066115 0.734004 0.834503 Mg\n0.265996 0.933885 0.834502 Mg\n0.667888 0.933889 0.834504 Mg\n0.065243 0.130491 0.836290 Mg\n0.065248 0.934752 0.836289 Mg\n0.869509 0.934758 0.836290 Mg\n0.999999 0.000000 -0.000000 Si\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.7726824274255568,
"density_atomic": 0.04387691692571561,
"volume": 3418.6540557066173,
"volume_molar": 13.725077288806755,
"formula_full": "Mg149 Si1",
"formula_reduced": "Mg149Si",
"formula_anonymous": "AB149",
"energy": -247.48608853,
"energy_per_atom": -1.6499072568666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.55708853,
"band_gap": 0.3310000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.277000Z",
"spacegroup": 187
},
{
"id": "mp-1075047",
"created_at": "2022-09-04T14:40:00.188344Z",
"structure_string": "Mg6 Si8\n1.0\n5.940144 0.000000 0.000000\n-1.742712 6.350008 0.000000\n-1.225345 -2.407781 6.871041\nMg Si\n6 8\ndirect\n0.880708 0.508144 0.402478 Mg\n0.410104 0.847811 0.560494 Mg\n0.568978 0.215765 0.968990 Mg\n0.633889 0.687329 0.888126 Mg\n0.890531 0.980685 0.347089 Mg\n0.090531 0.211257 0.070059 Mg\n0.111456 0.325580 0.713929 Si\n0.178367 0.754975 0.848481 Si\n0.124643 0.702189 0.153283 Si\n0.484083 0.592610 0.206620 Si\n0.920922 0.922612 0.703465 Si\n0.673281 0.284853 0.632392 Si\n0.333076 0.390933 0.464838 Si\n0.446071 0.075447 0.286404 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3738864110591287,
"density_atomic": 0.05401747132045078,
"volume": 259.17540487867416,
"volume_molar": 11.148505497924047,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.39157523,
"energy_per_atom": -3.5993982307142858,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:44.210000Z",
"spacegroup": 1
},
{
"id": "mp-1073810",
"created_at": "2022-09-04T14:39:46.937530Z",
"structure_string": "Mg6 Si6\n1.0\n2.221051 4.566667 0.000000\n-2.221051 4.566667 0.000000\n0.000000 2.438108 11.590074\nMg Si\n6 6\ndirect\n0.871767 0.871767 0.415404 Mg\n0.519568 0.519568 0.791996 Mg\n0.223283 0.223283 0.097380 Mg\n0.480432 0.480432 0.208004 Mg\n0.776717 0.776717 0.902620 Mg\n0.128233 0.128233 0.584596 Mg\n0.181893 0.181893 0.339666 Si\n0.091883 0.091883 0.904765 Si\n0.818107 0.818107 0.660334 Si\n0.423188 0.423188 0.591745 Si\n0.576812 0.576812 0.408255 Si\n0.908117 0.908117 0.095235 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.220132076057433,
"density_atomic": 0.05103958875150746,
"volume": 235.11161225109947,
"volume_molar": 11.798960194055514,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.73197193,
"energy_per_atom": -3.394330994166667,
"energy_above_hull": null,
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"energy_uncorrected": -41.15797193,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.718000Z",
"spacegroup": 12
},
{
"id": "mp-1074467",
"created_at": "2022-09-04T14:39:48.668357Z",
"structure_string": "Mg8 Si6\n1.0\n5.621582 0.000000 0.000000\n-1.162747 6.258254 0.000000\n-2.237437 -2.798064 7.717417\nMg Si\n8 6\ndirect\n0.775799 0.825605 0.320584 Mg\n0.312700 0.653276 0.586241 Mg\n0.729524 0.006247 0.952568 Mg\n0.270476 0.993753 0.047432 Mg\n0.224201 0.174395 0.679416 Mg\n0.177630 0.500864 0.162358 Mg\n0.822370 0.499136 0.837642 Mg\n0.687300 0.346724 0.413759 Mg\n0.094826 0.204200 0.322365 Si\n0.325323 0.929848 0.367639 Si\n0.905174 0.795800 0.677635 Si\n0.622274 0.403148 0.085735 Si\n0.674677 0.070152 0.632361 Si\n0.377726 0.596852 0.914265 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2198099050942846,
"density_atomic": 0.05156373083830581,
"volume": 271.5086703850304,
"volume_molar": 11.67902450442212,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -45.30339204,
"energy_per_atom": -3.2359565742857144,
"energy_above_hull": null,
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"energy_uncorrected": -45.72939204,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.001162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.387000Z",
"spacegroup": 2
},
{
"id": "mp-1100451",
"created_at": "2022-09-04T14:40:09.679866Z",
"structure_string": "Mg6 Si6\n1.0\n2.295807 4.986818 0.000000\n-2.295807 4.986818 0.000000\n0.000000 2.891194 9.251289\nMg Si\n6 6\ndirect\n0.374709 0.374709 0.124967 Mg\n0.883609 0.883609 0.636839 Mg\n0.820299 0.820299 0.345235 Mg\n0.116391 0.116391 0.363161 Mg\n0.179701 0.179701 0.654765 Mg\n0.625291 0.625291 0.875033 Mg\n0.668299 0.668299 0.152523 Si\n0.566943 0.566943 0.592418 Si\n0.331701 0.331701 0.847477 Si\n0.909294 0.909294 0.930172 Si\n0.090706 0.090706 0.069828 Si\n0.433057 0.433057 0.407582 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4641194302050837,
"density_atomic": 0.05664872090655424,
"volume": 211.83179086770173,
"volume_molar": 10.63067385040152,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.44200347,
"energy_per_atom": -3.3701669558333336,
"energy_above_hull": null,
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"energy_uncorrected": -40.86800347,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:46.648000Z",
"spacegroup": 12
},
{
"id": "mp-1100712",
"created_at": "2022-09-04T14:40:06.262711Z",
"structure_string": "Mg18 Si10\n1.0\n12.456919 -3.590377 0.000000\n12.456919 3.590377 0.000000\n11.422088 0.000000 6.132010\nMg Si\n18 10\ndirect\n0.617829 0.141348 0.906930 Mg\n0.248036 0.500000 0.751964 Mg\n0.141348 0.906930 0.617829 Mg\n0.500000 0.751964 0.248036 Mg\n0.906930 0.617829 0.141348 Mg\n0.751964 0.248036 0.500000 Mg\n0.074770 0.444159 0.642860 Mg\n0.743919 0.256081 0.000000 Mg\n0.444159 0.642860 0.074770 Mg\n0.256081 0.000000 0.743919 Mg\n0.642860 0.074770 0.444159 Mg\n0.000000 0.743919 0.256081 Mg\n0.858652 0.382171 0.093070 Mg\n0.925230 0.357140 0.555841 Mg\n0.382171 0.093070 0.858652 Mg\n0.357140 0.555841 0.925230 Mg\n0.093070 0.858652 0.382171 Mg\n0.555841 0.925230 0.357140 Mg\n0.330594 0.330594 0.330594 Si\n0.442204 0.442204 0.442204 Si\n0.167726 0.167726 0.167726 Si\n0.235599 0.235599 0.235599 Si\n0.055815 0.055815 0.055815 Si\n0.557796 0.557796 0.557796 Si\n0.669406 0.669406 0.669406 Si\n0.944185 0.944185 0.944185 Si\n0.832274 0.832274 0.832274 Si\n0.764401 0.764401 0.764401 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.174696357001833,
"density_atomic": 0.051047501151424694,
"volume": 548.5087294859396,
"volume_molar": 11.797131346618183,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -85.20086051000001,
"energy_per_atom": -3.042887875357143,
"energy_above_hull": null,
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"energy_uncorrected": -85.91086051,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0036573,
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{
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{
"id": "mp-1075194",
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"structure_string": "Mg6 Si8\n1.0\n3.986850 0.000000 0.000000\n0.000000 6.751304 0.000000\n0.000000 1.869866 9.361384\nMg Si\n6 8\ndirect\n0.000000 0.349358 0.327188 Mg\n0.500000 0.934656 0.980729 Mg\n0.500000 0.648801 0.768136 Mg\n0.000000 0.266312 0.987626 Mg\n0.500000 0.080230 0.520139 Mg\n0.500000 0.672234 0.400050 Mg\n0.000000 0.803738 0.572575 Si\n0.000000 0.428837 0.611701 Si\n0.500000 0.492574 0.138373 Si\n0.000000 0.660004 0.997356 Si\n0.000000 0.957239 0.779709 Si\n0.500000 0.100773 0.216465 Si\n0.500000 0.253026 0.749565 Si\n0.000000 0.852087 0.197117 Si\n",
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}