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=12176",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12174",
"results": [
{
"id": "mp-1217264",
"created_at": "2022-09-04T14:46:52.979390Z",
"structure_string": "Th1 Zr2\n1.0\n1.679534 -2.909038 0.000000\n1.679534 2.909038 0.000000\n0.000000 0.000000 7.975512\nTh Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.661406 Zr\n0.666667 0.333333 0.338594 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.831455065134511,
"density_atomic": 0.03849412851392469,
"volume": 77.93396332936317,
"volume_molar": 15.644309905136772,
"formula_full": "Th1 Zr2",
"formula_reduced": "ThZr2",
"formula_anonymous": "AB2",
"energy": -24.14015155,
"energy_per_atom": -8.046717183333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.14015155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.813000Z",
"spacegroup": 164
},
{
"id": "mp-1187462",
"created_at": "2022-09-04T14:44:25.656360Z",
"structure_string": "Th2 Zr6\n1.0\n3.325289 -5.759570 0.000000\n3.325289 5.759570 0.000000\n0.000000 0.000000 5.391709\nTh Zr\n2 6\ndirect\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n0.156745 0.313490 0.250000 Zr\n0.686510 0.843255 0.250000 Zr\n0.156745 0.843255 0.250000 Zr\n0.843255 0.686510 0.750000 Zr\n0.313490 0.156745 0.750000 Zr\n0.843255 0.156745 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.132138926883359,
"density_atomic": 0.03873593917786877,
"volume": 206.52655311299864,
"volume_molar": 15.546649669051176,
"formula_full": "Th2 Zr6",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -65.48368486,
"energy_per_atom": -8.1854606075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.48368486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0263137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.907000Z",
"spacegroup": 194
},
{
"id": "mp-1217345",
"created_at": "2022-09-04T14:43:50.196057Z",
"structure_string": "Th1 Zr3\n1.0\n3.283852 0.000000 0.000000\n0.000000 3.283852 0.000000\n0.000000 0.000000 9.449069\nTh Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.735443 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.264557 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.241277137884918,
"density_atomic": 0.03925579885333032,
"volume": 101.89577379242799,
"volume_molar": 15.34076731567801,
"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -32.75665824,
"energy_per_atom": -8.18916456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.75665824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.336000Z",
"spacegroup": 123
},
{
"id": "mp-1217329",
"created_at": "2022-09-04T14:43:23.100462Z",
"structure_string": "Th1 Zr2\n1.0\n-2.369904 -1.714008 1.714008\n-2.369904 1.714008 -1.714008\n2.369904 -4.831498 -4.831498\nTh Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.673473 0.673473 0.346945 Zr\n0.326527 0.326527 0.653055 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.767456753809572,
"density_atomic": 0.038215175702338504,
"volume": 78.5028446124983,
"volume_molar": 15.75850601056241,
"formula_full": "Th1 Zr2",
"formula_reduced": "ThZr2",
"formula_anonymous": "AB2",
"energy": -24.23527444,
"energy_per_atom": -8.078424813333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.23527444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.279000Z",
"spacegroup": 139
},
{
"id": "mp-1217289",
"created_at": "2022-09-04T14:40:26.836732Z",
"structure_string": "Th1 Zr3\n1.0\n1.656243 -2.868697 0.000000\n1.656243 2.868697 0.000000\n0.000000 0.000000 10.784718\nTh Zr\n1 3\ndirect\n0.333333 0.666667 0.000000 Th\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.265062 Zr\n0.000000 0.000000 0.734938 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.194135971359845,
"density_atomic": 0.03903125062860037,
"volume": 102.48198393799295,
"volume_molar": 15.429023315966317,
"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -32.78709391,
"energy_per_atom": -8.1967734775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.78709391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.492000Z",
"spacegroup": 187
},
{
"id": "mp-1245320",
"created_at": "2022-09-04T14:40:03.821186Z",
"structure_string": "Ti100\n1.0\n11.841932 0.065058 0.087674\n0.059780 12.366594 -0.075703\n0.095018 -0.083665 11.978790\nTi\n100\ndirect\n0.968692 0.918557 0.834264 Ti\n0.637536 0.862799 0.236097 Ti\n0.417074 0.561989 0.429323 Ti\n0.125084 0.291181 0.388425 Ti\n0.545101 0.368721 0.515056 Ti\n0.475967 0.714488 0.254041 Ti\n0.130266 0.753435 0.849028 Ti\n0.144659 0.555756 0.735097 Ti\n0.265625 0.373403 0.848229 Ti\n0.008638 0.919218 0.228231 Ti\n0.126854 0.836411 0.066910 Ti\n0.840561 0.533083 0.308318 Ti\n0.910248 0.852025 0.521552 Ti\n0.637886 0.566363 0.405780 Ti\n0.113637 0.957422 0.426365 Ti\n0.729106 0.187370 0.449420 Ti\n0.062217 0.129899 0.253610 Ti\n0.419785 0.368331 0.020515 Ti\n0.569361 0.447641 0.839859 Ti\n0.935146 0.096005 0.447087 Ti\n0.710960 0.355235 0.265314 Ti\n0.730682 0.627619 0.898057 Ti\n0.630411 0.040596 0.757866 Ti\n0.158070 0.203557 0.990142 Ti\n0.995730 0.045742 0.035209 Ti\n0.715774 0.756133 0.646097 Ti\n0.616619 0.087994 0.271102 Ti\n0.482692 0.952003 0.380686 Ti\n0.470367 0.287021 0.726072 Ti\n0.330286 0.674793 0.642457 Ti\n0.182565 0.578528 0.967962 Ti\n0.883099 0.638279 0.511943 Ti\n0.667645 0.451274 0.043213 Ti\n0.608086 0.250092 0.112212 Ti\n0.363707 0.464686 0.633162 Ti\n0.062979 0.395174 0.991818 Ti\n0.486286 0.472455 0.221398 Ti\n0.505644 0.748118 0.488396 Ti\n0.511340 0.886040 0.652466 Ti\n0.312873 0.987329 0.538585 Ti\n0.674241 0.625298 0.180149 Ti\n0.130267 0.144669 0.551644 Ti\n0.827023 0.134634 0.212248 Ti\n0.721379 0.765883 0.416553 Ti\n0.462974 0.937412 0.901992 Ti\n0.611853 0.788573 0.027972 Ti\n0.857162 0.024273 0.658794 Ti\n0.431668 0.902763 0.127452 Ti\n0.380275 0.163693 0.926096 Ti\n0.569746 0.567375 0.630457 Ti\n0.919074 0.710156 0.744392 Ti\n0.799230 0.100046 0.890014 Ti\n0.306614 0.396708 0.378660 Ti\n0.210555 0.986813 0.900652 Ti\n0.629779 0.027216 0.033466 Ti\n0.865625 0.738751 0.232580 Ti\n0.031517 0.342141 0.191023 Ti\n0.905966 0.304945 0.368428 Ti\n0.607934 0.223665 0.894290 Ti\n0.267521 0.879015 0.276460 Ti\n0.106823 0.963006 0.663569 Ti\n0.531720 0.723434 0.809808 Ti\n0.983950 0.475474 0.575133 Ti\n0.732641 0.863838 0.858168 Ti\n0.277533 0.776475 0.456712 Ti\n0.856581 0.266390 0.055001 Ti\n0.169721 0.362646 0.603944 Ti\n0.327434 0.758827 0.987611 Ti\n0.308363 0.108576 0.340459 Ti\n0.275003 0.263678 0.186657 Ti\n0.950583 0.547862 0.881253 Ti\n0.367186 0.573635 0.841189 Ti\n0.767802 0.413902 0.503571 Ti\n0.404676 0.069959 0.721985 Ti\n0.470505 0.591071 0.039632 Ti\n0.682769 0.967550 0.519102 Ti\n0.188581 0.573776 0.498051 Ti\n0.812036 0.357496 0.874939 Ti\n0.059359 0.635642 0.146141 Ti\n0.312183 0.856471 0.751313 Ti\n0.096747 0.743358 0.605899 Ti\n0.219624 0.029986 0.119010 Ti\n0.812368 0.911412 0.085275 Ti\n0.813912 0.953660 0.336003 Ti\n0.062784 0.511445 0.336337 Ti\n0.207355 0.175160 0.757786 Ti\n0.344060 0.230906 0.544348 Ti\n0.266155 0.653471 0.247423 Ti\n0.060984 0.740786 0.364298 Ti\n0.029063 0.357727 0.774861 Ti\n0.433981 0.116792 0.139788 Ti\n0.531025 0.136393 0.533693 Ti\n0.790747 0.498740 0.709044 Ti\n0.923289 0.747837 0.982549 Ti\n0.239493 0.464825 0.151960 Ti\n0.887090 0.500997 0.091994 Ti\n0.931113 0.264652 0.596926 Ti\n0.724298 0.235958 0.691443 Ti\n0.486554 0.262246 0.321184 Ti\n0.985100 0.142422 0.799048 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.531641287765111,
"density_atomic": 0.05701251742992054,
"volume": 1754.000779266052,
"volume_molar": 10.562839585889853,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -774.03900131,
"energy_per_atom": -7.7403900131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -774.03900131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.656000Z",
"spacegroup": 1
},
{
"id": "mp-46",
"created_at": "2022-09-04T14:39:08.433028Z",
"structure_string": "Ti2\n1.0\n1.466907 -2.540757 0.000000\n1.466907 2.540757 0.000000\n0.000000 0.000000 4.657009\nTi\n2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.579441525890857,
"density_atomic": 0.05761389157589635,
"volume": 34.713850172147204,
"volume_molar": 10.452584602911035,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -15.78211434,
"energy_per_atom": -7.89105717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.339000Z",
"spacegroup": 194
},
{
"id": "mp-72",
"created_at": "2022-09-04T14:42:14.492213Z",
"structure_string": "Ti3\n1.0\n2.288427 -3.963673 0.000000\n2.288427 3.963673 0.000000\n0.000000 0.000000 2.828683\nTi\n3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.646836629961642,
"density_atomic": 0.05846178846391811,
"volume": 51.31557003001307,
"volume_molar": 10.300986196679204,
"formula_full": "Ti3",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -23.68647605,
"energy_per_atom": -7.895492016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.68647605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.679000Z",
"spacegroup": 191
},
{
"id": "mp-6985",
"created_at": "2022-09-04T14:39:23.358114Z",
"structure_string": "Ti1\n1.0\n0.000000 2.054533 2.054533\n2.054533 0.000000 2.054533\n2.054533 2.054533 0.000000\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.5826421717129815,
"density_atomic": 0.057654158857469044,
"volume": 17.344802522783677,
"volume_molar": 10.445284224660641,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.8335295,
"energy_per_atom": -7.8335295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.8335295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.064000Z",
"spacegroup": 225
},
{
"id": "mp-1245164",
"created_at": "2022-09-04T14:42:42.610294Z",
"structure_string": "Ti100\n1.0\n12.359664 0.617305 -0.949522\n0.615810 11.934165 -0.752759\n-0.956925 -0.743064 12.018280\nTi\n100\ndirect\n0.732945 0.878391 0.782797 Ti\n0.766999 0.966867 0.321045 Ti\n0.509691 0.717270 0.322125 Ti\n0.155037 0.239514 0.353965 Ti\n0.426026 0.453827 0.637591 Ti\n0.685222 0.698609 0.201033 Ti\n0.911010 0.612338 0.714556 Ti\n0.107881 0.742986 0.837379 Ti\n0.383195 0.441893 0.053206 Ti\n0.921709 0.961805 0.164054 Ti\n0.151859 0.187561 0.774959 Ti\n0.875736 0.559685 0.282282 Ti\n0.699039 0.791729 0.417626 Ti\n0.678783 0.556970 0.378917 Ti\n0.185120 0.946847 0.447738 Ti\n0.796413 0.187016 0.446094 Ti\n0.154316 0.034750 0.213217 Ti\n0.466404 0.277807 0.209771 Ti\n0.638196 0.527398 0.934708 Ti\n0.967586 0.086724 0.614987 Ti\n0.671413 0.342605 0.283535 Ti\n0.738002 0.681769 0.854796 Ti\n0.508736 0.940038 0.447514 Ti\n0.946792 0.011662 0.963221 Ti\n0.933836 0.870052 0.705909 Ti\n0.557775 0.819295 0.617642 Ti\n0.585210 0.127309 0.363656 Ti\n0.359619 0.117923 0.225207 Ti\n0.488617 0.389112 0.849558 Ti\n0.268768 0.550819 0.482193 Ti\n0.142242 0.976430 0.887285 Ti\n0.965218 0.893428 0.472450 Ti\n0.771973 0.413709 0.124650 Ti\n0.602792 0.291291 0.044908 Ti\n0.289955 0.353804 0.816931 Ti\n0.207053 0.572267 0.984453 Ti\n0.454538 0.495455 0.311910 Ti\n0.316852 0.734633 0.651074 Ti\n0.571585 0.035743 0.676901 Ti\n0.365792 0.960371 0.618781 Ti\n0.887194 0.773530 0.254089 Ti\n0.199480 0.140809 0.572575 Ti\n0.749608 0.141743 0.196063 Ti\n0.503972 0.606608 0.522873 Ti\n0.536648 0.746887 0.018437 Ti\n0.829365 0.626766 0.058555 Ti\n0.791091 0.086899 0.758060 Ti\n0.365256 0.706672 0.117215 Ti\n0.517582 0.155559 0.869554 Ti\n0.662942 0.472051 0.702023 Ti\n0.051906 0.407199 0.728141 Ti\n0.717693 0.057631 0.962769 Ti\n0.362051 0.337099 0.406652 Ti\n0.328453 0.040434 0.830900 Ti\n0.546570 0.070252 0.081650 Ti\n0.121926 0.829480 0.257062 Ti\n0.098513 0.466204 0.321297 Ti\n0.899867 0.354421 0.338159 Ti\n0.682897 0.288482 0.827641 Ti\n0.154499 0.834461 0.054128 Ti\n0.154152 0.934598 0.667985 Ti\n0.518818 0.661988 0.760165 Ti\n0.819533 0.443499 0.538986 Ti\n0.529960 0.908570 0.865339 Ti\n0.332361 0.762930 0.435275 Ti\n0.849247 0.245516 0.991251 Ti\n0.223170 0.364399 0.579190 Ti\n0.393848 0.598866 0.905310 Ti\n0.336339 0.900746 0.270379 Ti\n0.974268 0.195841 0.184495 Ti\n0.010195 0.577273 0.913504 Ti\n0.227076 0.556369 0.730235 Ti\n0.633656 0.214578 0.599784 Ti\n0.412963 0.219759 0.663413 Ti\n0.568840 0.522225 0.140738 Ti\n0.744987 0.978026 0.554898 Ti\n0.023803 0.502152 0.514423 Ti\n0.854025 0.448279 0.873570 Ti\n0.048396 0.635334 0.140081 Ti\n0.316517 0.814479 0.872001 Ti\n0.083550 0.715218 0.614470 Ti\n0.350846 0.956614 0.048858 Ti\n0.723103 0.862940 0.060312 Ti\n0.994479 0.081758 0.368901 Ti\n0.888888 0.694913 0.496983 Ti\n0.130626 0.161662 0.041420 Ti\n0.356727 0.112421 0.446284 Ti\n0.253828 0.606886 0.251989 Ti\n0.097035 0.695745 0.397058 Ti\n0.121984 0.358419 0.948912 Ti\n0.338363 0.215741 0.001292 Ti\n0.552619 0.902653 0.221178 Ti\n0.719003 0.669338 0.614702 Ti\n0.927935 0.793532 0.977013 Ti\n0.238029 0.349449 0.179378 Ti\n0.986765 0.408070 0.108843 Ti\n0.007572 0.277472 0.520800 Ti\n0.843805 0.288258 0.685806 Ti\n0.595490 0.381079 0.473874 Ti\n0.980537 0.180660 0.850305 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.538689194757154,
"density_atomic": 0.05710118705196525,
"volume": 1751.2770778126635,
"volume_molar": 10.546437072349333,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -775.71601314,
"energy_per_atom": -7.7571601314,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -775.71601314,
"band_gap": 0.0001999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.538000Z",
"spacegroup": 1
},
{
"id": "mp-73",
"created_at": "2022-09-04T14:42:12.963031Z",
"structure_string": "Ti1\n1.0\n-1.625750 1.625750 1.625750\n1.625750 -1.625750 1.625750\n1.625750 1.625750 -1.625750\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.624491948033271,
"density_atomic": 0.058180670324371915,
"volume": 17.1878390954375,
"volume_molar": 10.350758639295572,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.78345591,
"energy_per_atom": -7.78345591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78345591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.302000Z",
"spacegroup": 229
},
{
"id": "mp-1238818",
"created_at": "2022-09-04T14:39:09.338528Z",
"structure_string": "Ti6\n1.0\n-1.464038 -2.535788 0.000000\n-1.464039 2.535788 0.000000\n0.000000 0.000000 -28.087341\nTi\n6\ndirect\n0.666667 0.333333 0.704382 Ti\n0.333333 0.666667 0.626464 Ti\n0.666667 0.333333 0.540896 Ti\n0.333333 0.666667 0.459104 Ti\n0.666667 0.333333 0.373536 Ti\n0.333333 0.666667 0.295618 Ti\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 2.2868121704973263,
"density_atomic": 0.02877035282590335,
"volume": 208.54801594917902,
"volume_molar": 20.93175845441135,
"formula_full": "Ti6",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -45.51110526,
"energy_per_atom": -7.58518421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.51110526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.609971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.168000Z",
"spacegroup": 164
}
]
}