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=formula_anonymous&page=17",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=15",
"results": [
{
"id": "mp-1056366",
"created_at": "2022-09-04T14:39:31.265276Z",
"structure_string": "Sc1\n1.0\n0.000000 0.000000 3.360069\n-1.914780 1.914780 1.680035\n-1.914780 -1.914780 1.680035\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.029841802192606,
"density_atomic": 0.040586728214169976,
"volume": 24.63859601402588,
"volume_molar": 14.837709332523877,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.22265527,
"energy_per_atom": -6.22265527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22265527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.897000Z",
"spacegroup": 139
},
{
"id": "mp-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
"volume_molar": 24.69929975546862,
"formula_full": "Yb3",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -4.61882484,
"energy_per_atom": -1.5396082800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61882484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"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-158",
"created_at": "2022-09-04T14:48:30.749545Z",
"structure_string": "As4\n1.0\n1.853260 -5.720603 0.000000\n1.853260 5.720603 0.000000\n0.000000 0.000000 4.686427\nAs\n4\ndirect\n0.105928 0.894072 0.068630 As\n0.894072 0.105928 0.931370 As\n0.394072 0.605928 0.568630 As\n0.605928 0.394072 0.431370 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.008020735577857,
"density_atomic": 0.040254086684041596,
"volume": 99.36879282335742,
"volume_molar": 14.960321438338406,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -18.53912991,
"energy_per_atom": -4.6347824775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.53912991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:54.983000Z",
"spacegroup": 64
},
{
"id": "mp-168",
"created_at": "2022-09-04T14:41:02.443118Z",
"structure_string": "Si8\n1.0\n-3.327825 3.327825 3.327825\n3.327825 -3.327825 3.327825\n3.327825 3.327825 -3.327825\nSi\n8\ndirect\n0.203114 0.203114 0.203114 Si\n0.296886 0.500000 0.000000 Si\n0.000000 0.296886 0.500000 Si\n0.500000 0.000000 0.296886 Si\n0.796886 0.796886 0.796886 Si\n0.703114 0.500000 0.000000 Si\n0.000000 0.703114 0.500000 Si\n0.500000 0.000000 0.703114 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.5309281311574705,
"density_atomic": 0.054268592207869545,
"volume": 147.41491670461855,
"volume_molar": 11.096917231486104,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -42.12232846,
"energy_per_atom": -5.2652910575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.12232846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001211,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.435000Z",
"spacegroup": 206
},
{
"id": "mp-971662",
"created_at": "2022-09-04T14:39:21.492207Z",
"structure_string": "Si46\n1.0\n10.227360 0.000000 0.000000\n0.000000 10.227360 0.000000\n0.000000 0.000000 10.227360\nSi\n46\ndirect\n0.000000 0.882820 0.307890 Si\n0.000000 0.117180 0.692110 Si\n0.000000 0.117180 0.307890 Si\n0.000000 0.882820 0.692110 Si\n0.307890 0.000000 0.882820 Si\n0.382820 0.500000 0.192110 Si\n0.692110 0.000000 0.117180 Si\n0.617180 0.500000 0.807890 Si\n0.307890 0.000000 0.117180 Si\n0.617180 0.500000 0.192110 Si\n0.692110 0.000000 0.882820 Si\n0.382820 0.500000 0.807890 Si\n0.882820 0.307890 0.000000 Si\n0.500000 0.807890 0.617180 Si\n0.117180 0.692110 0.000000 Si\n0.500000 0.192110 0.382820 Si\n0.882820 0.692110 0.000000 Si\n0.500000 0.192110 0.617180 Si\n0.117180 0.307890 0.000000 Si\n0.500000 0.807890 0.382820 Si\n0.192110 0.382820 0.500000 Si\n0.807890 0.617180 0.500000 Si\n0.192110 0.617180 0.500000 Si\n0.807890 0.382820 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816380 0.816380 0.816380 Si\n0.183620 0.183620 0.183620 Si\n0.183620 0.183620 0.816380 Si\n0.183620 0.816380 0.183620 Si\n0.316380 0.316380 0.683620 Si\n0.816380 0.816380 0.183620 Si\n0.816380 0.183620 0.816380 Si\n0.683620 0.683620 0.316380 Si\n0.816380 0.183620 0.183620 Si\n0.683620 0.683620 0.683620 Si\n0.183620 0.816380 0.816380 Si\n0.316380 0.316380 0.316380 Si\n0.316380 0.683620 0.316380 Si\n0.683620 0.316380 0.683620 Si\n0.683620 0.316380 0.316380 Si\n0.316380 0.683620 0.683620 Si\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.0053882191996553,
"density_atomic": 0.04299987587416823,
"volume": 1069.770529910624,
"volume_molar": 14.005018939177322,
"formula_full": "Si46",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -246.62492791,
"energy_per_atom": -5.3614114763043474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.62492791,
"band_gap": 1.3094,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.851000Z",
"spacegroup": 223
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
},
{
"id": "mp-7162",
"created_at": "2022-09-04T14:39:18.752144Z",
"structure_string": "Sn1\n1.0\n-1.904687 1.904687 1.904687\n1.904687 -1.904687 1.904687\n1.904687 1.904687 -1.904687\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.131905142610984,
"density_atomic": 0.03618004942348041,
"volume": 27.639542121548683,
"volume_molar": 16.64492131979152,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.9353751,
"energy_per_atom": -3.9353751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.9353751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003908,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.963000Z",
"spacegroup": 229
},
{
"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-937760",
"created_at": "2022-09-04T14:39:20.837641Z",
"structure_string": "C2\n1.0\n0.000000 2.137467 3.990014\n1.234035 0.000000 3.990014\n1.234035 2.137467 0.000000\nC\n2\ndirect\n0.666666 0.333334 0.666666 C\n0.333334 0.666666 0.333334 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.895030051680634,
"density_atomic": 0.09501642468461158,
"volume": 21.0489923888276,
"volume_molar": 6.337999751084422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.44521853,
"energy_per_atom": -9.222609265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44521853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.049000Z",
"spacegroup": 69
},
{
"id": "mp-672233",
"created_at": "2022-09-04T14:44:51.914297Z",
"structure_string": "N4\n1.0\n2.021595 -3.501506 0.000000\n2.021595 3.501506 0.000000\n0.000000 0.000000 6.670694\nN\n4\ndirect\n0.333333 0.666667 0.333512 N\n0.333333 0.666667 0.166488 N\n0.666667 0.333333 0.833512 N\n0.666667 0.333333 0.666488 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.9851330091447384,
"density_atomic": 0.04235551307904192,
"volume": 94.43870960872043,
"volume_molar": 14.218080061411973,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -33.29043379,
"energy_per_atom": -8.3226084475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.29043379,
"band_gap": 6.5645,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.073000Z",
"spacegroup": 194
}
]
}