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=-elements&page=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12148",
"results": [
{
"id": "mp-557376",
"created_at": "2022-09-04T14:39:59.632023Z",
"structure_string": "S20\n1.0\n5.462082 6.650226 0.000000\n-5.462082 6.650226 0.000000\n0.000000 2.516740 8.833621\nS\n20\ndirect\n0.073095 0.247016 0.146175 S\n0.398123 0.999760 0.802877 S\n0.601877 0.000240 0.197123 S\n0.926905 0.752984 0.853825 S\n0.232759 0.610465 0.583195 S\n0.381147 0.473862 0.731753 S\n0.247016 0.073095 0.646175 S\n0.872353 0.983220 0.730724 S\n0.000240 0.601877 0.697123 S\n0.752984 0.926905 0.353825 S\n0.016780 0.127647 0.769276 S\n0.473862 0.381147 0.231753 S\n0.610465 0.232759 0.083195 S\n0.127647 0.016780 0.269276 S\n0.767241 0.389535 0.416805 S\n0.983220 0.872353 0.230724 S\n0.999760 0.398123 0.302877 S\n0.526138 0.618853 0.768247 S\n0.618853 0.526138 0.268247 S\n0.389535 0.767241 0.916805 S\n",
"nsites": 20,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6593842329137614,
"density_atomic": 0.031164963134210757,
"volume": 641.7463070266036,
"volume_molar": 19.323432965621922,
"formula_full": "S20",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -82.09326987,
"energy_per_atom": -4.1046634935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.09326987,
"band_gap": 2.1627,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.703000Z",
"spacegroup": 15
},
{
"id": "mp-583072",
"created_at": "2022-09-04T14:46:16.866636Z",
"structure_string": "S104\n1.0\n13.618254 0.000000 0.000000\n0.000000 14.019281 0.000000\n0.000000 6.152229 18.093378\nS\n104\ndirect\n0.197681 0.353700 0.267784 S\n0.558122 0.599495 0.726255 S\n0.336928 0.291267 0.881541 S\n0.325754 0.959580 0.760294 S\n0.700334 0.224862 0.379864 S\n0.559143 0.736604 0.736972 S\n0.350375 0.792986 0.105675 S\n0.659391 0.920230 0.869998 S\n0.391607 0.756650 0.013243 S\n0.786919 0.465301 0.471358 S\n0.954908 0.620429 0.909695 S\n0.204791 0.465112 0.751142 S\n0.369547 0.905961 0.558857 S\n0.174246 0.959580 0.260294 S\n0.994583 0.667684 0.993391 S\n0.045092 0.379571 0.090305 S\n0.401268 0.074473 0.782216 S\n0.961956 0.725072 0.348977 S\n0.299666 0.775138 0.620136 S\n0.869547 0.094039 0.941143 S\n0.058122 0.400505 0.773745 S\n0.059143 0.263396 0.763028 S\n0.820671 0.002552 0.260120 S\n0.454908 0.379571 0.590305 S\n0.320671 0.997448 0.239880 S\n0.891607 0.243350 0.486757 S\n0.538044 0.725072 0.848977 S\n0.679329 0.002552 0.760120 S\n0.840609 0.920230 0.369998 S\n0.940857 0.736604 0.236972 S\n0.302319 0.353700 0.767784 S\n0.407315 0.894723 0.456780 S\n0.545092 0.620429 0.409695 S\n0.196760 0.683445 0.869966 S\n0.104682 0.057100 0.393608 S\n0.224407 0.547261 0.419440 S\n0.901268 0.925527 0.717784 S\n0.917058 0.396068 0.457466 S\n0.330870 0.231911 0.117845 S\n0.825754 0.040420 0.739706 S\n0.149625 0.792986 0.605675 S\n0.071267 0.656822 0.826154 S\n0.200334 0.775138 0.120136 S\n0.674246 0.040420 0.239706 S\n0.697681 0.646300 0.232216 S\n0.713081 0.465301 0.971358 S\n0.608393 0.243350 0.986757 S\n0.461956 0.274928 0.151023 S\n0.038044 0.274928 0.651023 S\n0.928733 0.343178 0.173846 S\n0.696760 0.316555 0.630034 S\n0.163072 0.291267 0.381541 S\n0.169130 0.231911 0.617845 S\n0.159391 0.079770 0.630002 S\n0.098732 0.074473 0.282216 S\n0.850375 0.207014 0.394325 S\n0.505417 0.667684 0.493391 S\n0.960120 0.822298 0.968403 S\n0.795209 0.534888 0.248858 S\n0.604682 0.942900 0.106392 S\n0.571267 0.343178 0.673846 S\n0.283230 0.147527 0.910668 S\n0.775593 0.452739 0.580560 S\n0.663072 0.708733 0.118459 S\n0.592685 0.105277 0.543220 S\n0.441878 0.400505 0.273745 S\n0.830870 0.768089 0.382155 S\n0.216770 0.147527 0.410668 S\n0.941878 0.599495 0.226255 S\n0.724407 0.452739 0.080560 S\n0.716770 0.852473 0.089332 S\n0.005417 0.332316 0.006609 S\n0.460120 0.177702 0.531597 S\n0.286919 0.534699 0.028642 S\n0.039880 0.177702 0.031597 S\n0.440857 0.263396 0.263028 S\n0.213081 0.534699 0.528642 S\n0.417058 0.603932 0.042534 S\n0.428733 0.656822 0.326154 S\n0.803240 0.316555 0.130034 S\n0.092685 0.894723 0.956780 S\n0.649625 0.207014 0.894325 S\n0.108393 0.756650 0.513243 S\n0.303240 0.683445 0.369966 S\n0.630453 0.094039 0.441143 S\n0.802319 0.646300 0.732216 S\n0.340609 0.079770 0.130002 S\n0.539880 0.822298 0.468403 S\n0.295209 0.465112 0.251142 S\n0.275593 0.547261 0.919440 S\n0.130453 0.905961 0.058857 S\n0.907315 0.105277 0.043220 S\n0.179329 0.997448 0.739880 S\n0.836928 0.708733 0.618459 S\n0.783230 0.852473 0.589332 S\n0.895318 0.942900 0.606392 S\n0.669130 0.768089 0.882155 S\n0.704791 0.534888 0.748858 S\n0.395318 0.057100 0.893608 S\n0.582942 0.396068 0.957466 S\n0.598732 0.925527 0.217784 S\n0.799666 0.224862 0.879864 S\n0.082942 0.603932 0.542534 S\n0.494583 0.332316 0.506609 S\n",
"nsites": 104,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6030492074431306,
"density_atomic": 0.030106932717184204,
"volume": 3454.353885098354,
"volume_molar": 20.002505125879953,
"formula_full": "S104",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -427.23962467,
"energy_per_atom": -4.108073314134615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -427.23962467,
"band_gap": 2.3108,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.848000Z",
"spacegroup": 14
},
{
"id": "mp-1196831",
"created_at": "2022-09-04T14:46:30.264556Z",
"structure_string": "S80\n1.0\n10.227076 0.000000 0.000000\n0.000000 14.090503 0.000000\n0.000000 6.956926 17.905648\nS\n80\ndirect\n0.012247 0.000000 0.000000 S\n0.512161 0.000000 0.500000 S\n0.194428 0.500000 0.000000 S\n0.695334 0.500000 0.500000 S\n0.631991 0.124931 0.450923 S\n0.631991 0.875069 0.549077 S\n0.676444 0.185273 0.531539 S\n0.676444 0.814727 0.468461 S\n0.528334 0.285674 0.530754 S\n0.528334 0.714326 0.469246 S\n0.575683 0.425048 0.449989 S\n0.575683 0.574952 0.550011 S\n0.050015 0.070549 0.457193 S\n0.050015 0.929451 0.542807 S\n0.190714 0.158185 0.482737 S\n0.190714 0.841815 0.517263 S\n0.104069 0.223393 0.551828 S\n0.104069 0.776607 0.448172 S\n0.015766 0.357147 0.483881 S\n0.015766 0.642853 0.516119 S\n0.156023 0.529433 0.542172 S\n0.156023 0.470567 0.457828 S\n0.805325 0.049069 0.302902 S\n0.805325 0.950931 0.697098 S\n0.723310 0.015293 0.768296 S\n0.723310 0.984707 0.231704 S\n0.865688 0.103727 0.791275 S\n0.865688 0.896273 0.208725 S\n0.859543 0.245230 0.706133 S\n0.859543 0.754770 0.293867 S\n0.719873 0.330770 0.734409 S\n0.719873 0.669230 0.265591 S\n0.811007 0.397733 0.801479 S\n0.811007 0.602267 0.198521 S\n0.896676 0.531160 0.732056 S\n0.896676 0.468840 0.267944 S\n0.755009 0.643758 0.706697 S\n0.755009 0.356242 0.293303 S\n0.758241 0.703521 0.790489 S\n0.758241 0.296479 0.209511 S\n0.897255 0.181861 0.237009 S\n0.897255 0.818139 0.762991 S\n0.382192 0.111231 0.282090 S\n0.382192 0.888769 0.717910 S\n0.233947 0.012131 0.280510 S\n0.233947 0.987869 0.719490 S\n0.282756 0.048768 0.799252 S\n0.282756 0.951232 0.200748 S\n0.399981 0.174554 0.747923 S\n0.399981 0.825446 0.252077 S\n0.278055 0.298610 0.700689 S\n0.278055 0.701390 0.299311 S\n0.238415 0.359079 0.781871 S\n0.238415 0.640921 0.218129 S\n0.386616 0.460804 0.778159 S\n0.386616 0.539196 0.221841 S\n0.334105 0.599892 0.698876 S\n0.334105 0.400108 0.301124 S\n0.217161 0.672862 0.751759 S\n0.217161 0.327138 0.248241 S\n0.339523 0.749038 0.799502 S\n0.339523 0.250962 0.200498 S\n0.604178 0.777113 0.947214 S\n0.604178 0.222887 0.052786 S\n0.690195 0.157846 0.983277 S\n0.690195 0.842154 0.016723 S\n0.548848 0.070754 0.957537 S\n0.548848 0.929246 0.042463 S\n0.514971 0.356252 0.985072 S\n0.514971 0.643748 0.014928 S\n0.654781 0.470053 0.958060 S\n0.654781 0.529947 0.041940 S\n0.174912 0.813774 0.969373 S\n0.174912 0.186226 0.030627 S\n0.131574 0.124924 0.950220 S\n0.131574 0.875076 0.049780 S\n0.026968 0.713113 0.970608 S\n0.026968 0.286887 0.029392 S\n0.075672 0.425975 0.948751 S\n0.075672 0.574025 0.051249 S\n",
"nsites": 80,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6508298231044178,
"density_atomic": 0.031004302413772913,
"volume": 2580.2870495954758,
"volume_molar": 19.423564767336316,
"formula_full": "S80",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -330.07529879,
"energy_per_atom": -4.1259412348749995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.07529879,
"band_gap": 2.3187,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.240000Z",
"spacegroup": 3
},
{
"id": "mp-10869",
"created_at": "2022-09-04T14:41:26.759513Z",
"structure_string": "S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.1150064527763854,
"density_atomic": 0.05850306356903289,
"volume": 17.09312194941744,
"volume_molar": 10.293718640723743,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -3.51000844,
"energy_per_atom": -3.51000844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51000844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.088000Z",
"spacegroup": 221
},
{
"id": "mp-1179643",
"created_at": "2022-09-04T14:40:22.936907Z",
"structure_string": "S4\n1.0\n5.301813 0.000000 0.000000\n0.000000 3.724122 0.000000\n0.000000 0.286364 7.972537\nS\n4\ndirect\n0.340245 0.525169 0.254467 S\n0.159755 0.025169 0.254467 S\n0.659755 0.474831 0.745533 S\n0.840245 0.974831 0.745533 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.3529927957937211,
"density_atomic": 0.025410613024642037,
"volume": 157.41454155871742,
"volume_molar": 23.69931317343665,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.15217133,
"energy_per_atom": -3.7880428325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.15217133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.345000Z",
"spacegroup": 14
},
{
"id": "mp-7",
"created_at": "2022-09-04T14:40:42.935966Z",
"structure_string": "S6\n1.0\n3.660203 -5.539839 0.000000\n3.660203 5.539839 0.000000\n-4.724527 0.000000 4.665378\nS\n6\ndirect\n0.124312 0.228228 0.897566 S\n0.228228 0.897566 0.124312 S\n0.897566 0.124312 0.228228 S\n0.875688 0.771772 0.102434 S\n0.771772 0.102434 0.875688 S\n0.102434 0.875688 0.771772 S\n",
"nsites": 6,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6885442388010592,
"density_atomic": 0.031712618397196635,
"volume": 189.19913596697504,
"volume_molar": 18.989730474391706,
"formula_full": "S6",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -24.43169614,
"energy_per_atom": -4.071949356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43169614,
"band_gap": 2.5113,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.282000Z",
"spacegroup": 148
},
{
"id": "mp-1179641",
"created_at": "2022-09-04T14:40:20.237904Z",
"structure_string": "S4\n1.0\n5.891077 -1.185119 -0.003537\n-1.264447 5.901926 -0.003490\n-0.000217 0.004001 3.772683\nS\n4\ndirect\n0.332491 0.975856 0.749642 S\n0.667191 0.023684 0.749772 S\n0.021010 0.666242 0.250100 S\n0.979309 0.334218 0.250485 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6968151577302757,
"density_atomic": 0.03186795486382225,
"volume": 125.51793854022799,
"volume_molar": 18.897167344857046,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.1680996,
"energy_per_atom": -3.7920249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1680996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.551000Z",
"spacegroup": 66
},
{
"id": "mp-1179639",
"created_at": "2022-09-04T14:40:03.122087Z",
"structure_string": "S4\n1.0\n6.218004 -0.179953 0.000614\n-0.182999 6.262033 0.008871\n0.003813 0.010026 3.060894\nS\n4\ndirect\n0.347719 0.000985 0.750256 S\n0.652354 0.998876 0.749656 S\n0.005892 0.652013 0.248944 S\n0.994036 0.348126 0.251143 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.7885259679916965,
"density_atomic": 0.03359037934159799,
"volume": 119.08171561035157,
"volume_molar": 17.928171333695662,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.12564205,
"energy_per_atom": -3.7814105125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12564205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5543985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.737000Z",
"spacegroup": 66
},
{
"id": "mp-1063988",
"created_at": "2022-09-04T14:40:05.531640Z",
"structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3707936084368693,
"density_atomic": 0.06330701259918974,
"volume": 15.796038368311807,
"volume_molar": 9.512596650433442,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.99896608,
"energy_per_atom": -2.99896608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.99896608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.605000Z",
"spacegroup": 229
},
{
"id": "mp-558964",
"created_at": "2022-09-04T14:43:53.538135Z",
"structure_string": "S80\n1.0\n9.558458 0.000000 0.000000\n0.000000 14.211921 0.000000\n0.000000 0.000000 19.746201\nS\n80\ndirect\n0.288747 0.984872 0.451132 S\n0.633266 0.730613 0.757640 S\n0.768448 0.302648 0.448571 S\n0.231552 0.697352 0.551429 S\n0.536058 0.801230 0.679223 S\n0.074754 0.101647 0.927019 S\n0.211253 0.984872 0.548868 S\n0.788747 0.015128 0.451132 S\n0.574754 0.398353 0.572981 S\n0.711253 0.515128 0.951132 S\n0.731552 0.802648 0.948571 S\n0.866734 0.230613 0.257640 S\n0.805176 0.405458 0.899713 S\n0.665911 0.794123 0.595782 S\n0.866734 0.730613 0.242360 S\n0.329281 0.474632 0.406237 S\n0.170719 0.474632 0.593763 S\n0.829281 0.525368 0.406237 S\n0.919563 0.090059 0.251169 S\n0.694824 0.905458 0.399713 S\n0.731552 0.302648 0.551429 S\n0.268448 0.697352 0.448571 S\n0.633266 0.230613 0.742360 S\n0.574754 0.898353 0.927019 S\n0.732893 0.024066 0.805773 S\n0.463942 0.198770 0.320777 S\n0.036058 0.198770 0.679223 S\n0.768448 0.802648 0.051429 S\n0.767107 0.524066 0.305773 S\n0.711253 0.015128 0.548868 S\n0.829281 0.025368 0.093763 S\n0.788747 0.515128 0.048868 S\n0.694824 0.405458 0.100287 S\n0.536058 0.301230 0.820777 S\n0.211253 0.484872 0.951132 S\n0.305176 0.094542 0.600287 S\n0.334089 0.205877 0.404218 S\n0.580437 0.090059 0.748831 S\n0.665911 0.294123 0.904218 S\n0.334089 0.705877 0.095782 S\n0.963942 0.301230 0.179223 S\n0.805176 0.905458 0.600287 S\n0.732893 0.524066 0.694227 S\n0.268448 0.197352 0.051429 S\n0.074754 0.601647 0.572981 S\n0.133266 0.269387 0.757640 S\n0.925246 0.898353 0.072981 S\n0.963942 0.801230 0.320777 S\n0.080437 0.909941 0.748831 S\n0.288747 0.484872 0.048868 S\n0.231552 0.197352 0.948571 S\n0.305176 0.594542 0.899713 S\n0.329281 0.974632 0.093763 S\n0.366734 0.269387 0.242360 S\n0.670719 0.525368 0.593763 S\n0.165911 0.205877 0.595782 S\n0.267107 0.975934 0.194227 S\n0.194824 0.594542 0.100287 S\n0.670719 0.025368 0.906237 S\n0.165911 0.705877 0.904218 S\n0.425246 0.101647 0.072981 S\n0.267107 0.475934 0.305773 S\n0.767107 0.024066 0.194227 S\n0.232893 0.975934 0.805773 S\n0.834089 0.794123 0.404218 S\n0.419563 0.909941 0.251169 S\n0.232893 0.475934 0.694227 S\n0.834089 0.294123 0.095782 S\n0.036058 0.698770 0.820777 S\n0.925246 0.398353 0.427019 S\n0.463942 0.698770 0.179223 S\n0.080437 0.409941 0.751169 S\n0.170719 0.974632 0.906237 S\n0.366734 0.769387 0.257640 S\n0.425246 0.601647 0.427019 S\n0.419563 0.409941 0.248831 S\n0.194824 0.094542 0.399713 S\n0.133266 0.769387 0.742360 S\n0.580437 0.590059 0.751169 S\n0.919563 0.590059 0.248831 S\n",
"nsites": 80,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.587984117158156,
"density_atomic": 0.029823994640497543,
"volume": 2682.40391551604,
"volume_molar": 20.192267443015925,
"formula_full": "S80",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -329.78653417,
"energy_per_atom": -4.122331677125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.78653417,
"band_gap": 2.4879,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.096000Z",
"spacegroup": 60
},
{
"id": "mp-556269",
"created_at": "2022-09-04T14:47:01.252178Z",
"structure_string": "S72\n1.0\n14.996784 0.000000 0.000000\n0.000000 8.499848 0.000000\n0.000000 4.124589 18.555124\nS\n72\ndirect\n0.977159 0.623809 0.361187 S\n0.525965 0.241936 0.627967 S\n0.248379 0.764437 0.349668 S\n0.022841 0.376191 0.638813 S\n0.678368 0.780577 0.641749 S\n0.748379 0.235563 0.150332 S\n0.178368 0.219423 0.858251 S\n0.121464 0.384657 0.563980 S\n0.521971 0.996748 0.125831 S\n0.751621 0.235563 0.650332 S\n0.736668 0.856641 0.333962 S\n0.582989 0.159418 0.879062 S\n0.209257 0.991390 0.098518 S\n0.082989 0.840582 0.620938 S\n0.350860 0.705499 0.421437 S\n0.850860 0.294501 0.078563 S\n0.821632 0.780577 0.141749 S\n0.325746 0.950671 0.045068 S\n0.490889 0.138597 0.197377 S\n0.236668 0.143359 0.166038 S\n0.509111 0.861403 0.802623 S\n0.262451 0.587900 0.788604 S\n0.878536 0.615343 0.436020 S\n0.287104 0.370545 0.857989 S\n0.174254 0.950671 0.545068 S\n0.414190 0.259565 0.432576 S\n0.762451 0.412100 0.711396 S\n0.149140 0.705499 0.921437 S\n0.621464 0.615343 0.936020 S\n0.009111 0.138597 0.697377 S\n0.674254 0.049329 0.954932 S\n0.917011 0.159418 0.379062 S\n0.478029 0.003252 0.874169 S\n0.477159 0.376191 0.138813 S\n0.491846 0.583207 0.312684 S\n0.212896 0.370545 0.357989 S\n0.747363 0.621121 0.890085 S\n0.585810 0.740435 0.567424 S\n0.763332 0.856641 0.833962 S\n0.021971 0.003252 0.374169 S\n0.752637 0.621121 0.390085 S\n0.008154 0.583207 0.812684 S\n0.787104 0.629455 0.642011 S\n0.526360 0.364952 0.376503 S\n0.978029 0.996748 0.625831 S\n0.508154 0.416793 0.687316 S\n0.026360 0.635048 0.123497 S\n0.378536 0.384657 0.063980 S\n0.085810 0.259565 0.932576 S\n0.712896 0.629455 0.142011 S\n0.991846 0.416793 0.187316 S\n0.737549 0.412100 0.211396 S\n0.290743 0.991390 0.598518 S\n0.914190 0.740435 0.067424 S\n0.522841 0.623809 0.861187 S\n0.263332 0.143359 0.666038 S\n0.025965 0.758064 0.872033 S\n0.473640 0.635048 0.623497 S\n0.251621 0.764437 0.849668 S\n0.321632 0.219423 0.358251 S\n0.790743 0.008610 0.901482 S\n0.417011 0.840582 0.120938 S\n0.990889 0.861403 0.302623 S\n0.973640 0.364952 0.876503 S\n0.252637 0.378879 0.109915 S\n0.474035 0.758064 0.372033 S\n0.825746 0.049329 0.454932 S\n0.649140 0.294501 0.578563 S\n0.709257 0.008610 0.401482 S\n0.237549 0.587900 0.288604 S\n0.974035 0.241936 0.127967 S\n0.247363 0.378879 0.609915 S\n",
"nsites": 72,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6208382663220364,
"density_atomic": 0.03044102975942253,
"volume": 2365.228790517954,
"volume_molar": 19.78297320292177,
"formula_full": "S72",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -295.14755575,
"energy_per_atom": -4.099271607638888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -295.14755575,
"band_gap": 2.3782,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0797722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.507000Z",
"spacegroup": 14
},
{
"id": "mp-77",
"created_at": "2022-09-04T14:47:16.241433Z",
"structure_string": "S32\n1.0\n0.000000 7.386536 12.734745\n6.162454 0.000000 12.734745\n6.162454 7.386536 0.000000\nS\n32\ndirect\n0.882423 0.778053 0.754439 S\n0.585086 0.754439 0.778053 S\n0.754439 0.585086 0.882423 S\n0.778053 0.882423 0.585086 S\n0.367577 0.471947 0.495561 S\n0.664914 0.495561 0.471947 S\n0.495561 0.664914 0.367577 S\n0.471947 0.367577 0.664914 S\n0.831616 0.929846 0.857015 S\n0.381523 0.857015 0.929846 S\n0.857015 0.381523 0.831616 S\n0.929846 0.831616 0.381523 S\n0.418384 0.320154 0.392985 S\n0.868477 0.392985 0.320154 S\n0.392985 0.868477 0.418384 S\n0.320154 0.418384 0.868477 S\n0.005493 0.899019 0.766425 S\n0.329063 0.766425 0.899019 S\n0.766425 0.329063 0.005493 S\n0.899019 0.005493 0.329063 S\n0.244507 0.350981 0.483575 S\n0.920937 0.483575 0.350981 S\n0.483575 0.920937 0.244507 S\n0.350981 0.244507 0.920937 S\n0.953077 0.052861 0.601396 S\n0.392665 0.601396 0.052861 S\n0.601396 0.392665 0.953077 S\n0.052861 0.953077 0.392665 S\n0.296923 0.197139 0.648604 S\n0.857335 0.648604 0.197139 S\n0.648604 0.857335 0.296923 S\n0.197139 0.296923 0.857335 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.469655559945604,
"density_atomic": 0.02760166116877462,
"volume": 1159.350511707649,
"volume_molar": 21.81803741150466,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -132.33418461,
"energy_per_atom": -4.1354432690625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.33418461,
"band_gap": 2.7125,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.997000Z",
"spacegroup": 70
}
]
}