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=nelements&page=23",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=21",
"results": [
{
"id": "mp-75",
"created_at": "2022-09-04T14:42:03.416655Z",
"structure_string": "Nb1\n1.0\n-1.660260 1.660260 1.660260\n1.660260 -1.660260 1.660260\n1.660260 1.660260 -1.660260\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.427646883754438,
"density_atomic": 0.054627546382803364,
"volume": 18.305782818662305,
"volume_molar": 11.024000085597397,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -10.10130504,
"energy_per_atom": -10.10130504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10130504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.150000Z",
"spacegroup": 229
},
{
"id": "mp-88",
"created_at": "2022-09-04T14:44:22.018299Z",
"structure_string": "Dy2\n1.0\n1.813352 -3.140817 0.000000\n1.813352 3.140817 0.000000\n0.000000 0.000000 5.616372\nDy\n2\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.435714028256431,
"density_atomic": 0.03126218911189083,
"volume": 63.975046432026204,
"volume_molar": 19.263336737059877,
"formula_full": "Dy2",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -9.17815006,
"energy_per_atom": -4.58907503,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17815006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1674133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.931000Z",
"spacegroup": 194
},
{
"id": "mp-8637",
"created_at": "2022-09-04T14:47:03.923553Z",
"structure_string": "Mo1\n1.0\n0.000000 2.005993 2.005993\n2.005993 0.000000 2.005993\n2.005993 2.005993 0.000000\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.868032617819642,
"density_atomic": 0.06194150663885528,
"volume": 16.144263423077767,
"volume_molar": 9.722302680029376,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.43418293,
"energy_per_atom": -10.43418293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.43418293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.584000Z",
"spacegroup": 225
},
{
"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-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.779283164252495,
"density_atomic": 0.06241617740851449,
"volume": 1602.1487401495133,
"volume_molar": 9.648365231637033,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -121.08917173,
"energy_per_atom": -1.2108917173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.08917173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.300000Z",
"spacegroup": 1
},
{
"id": "mp-1017981",
"created_at": "2022-09-04T14:43:15.556631Z",
"structure_string": "Hg1\n1.0\n-1.965509 1.965509 1.965509\n1.965509 -1.965509 1.965509\n1.965509 1.965509 -1.965509\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.966632095520213,
"density_atomic": 0.03292417476702697,
"volume": 30.372818971957464,
"volume_molar": 18.290939112712632,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.30259183,
"energy_per_atom": -0.30259183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.30259183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.046000Z",
"spacegroup": 229
},
{
"id": "mp-126",
"created_at": "2022-09-04T14:44:21.944044Z",
"structure_string": "Pt1\n1.0\n0.000000 1.988385 1.988385\n1.988385 0.000000 1.988385\n1.988385 1.988385 0.000000\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pt"
],
"chemical_system": "Pt",
"density": 20.603420149296728,
"density_atomic": 0.06360167738992607,
"volume": 15.722855764781936,
"volume_molar": 9.468525056469428,
"formula_full": "Pt1",
"formula_reduced": "Pt",
"formula_anonymous": "A",
"energy": -6.07090771,
"energy_per_atom": -6.07090771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07090771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0514353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.792000Z",
"spacegroup": 225
},
{
"id": "mp-7761",
"created_at": "2022-09-04T14:45:25.947961Z",
"structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.455473759771788,
"density_atomic": 0.036874106791514365,
"volume": 27.119300967857598,
"volume_molar": 16.33162477412427,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8904761,
"energy_per_atom": -3.8904761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8904761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"id": "mp-639774",
"created_at": "2022-09-04T14:47:03.918638Z",
"structure_string": "Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.5468968300280372,
"density_atomic": 0.01750487470546341,
"volume": 57.126944169894124,
"volume_molar": 34.402649897976374,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.29243919,
"energy_per_atom": -1.29243919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.29243919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 221
},
{
"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-1191484",
"created_at": "2022-09-04T14:39:29.957704Z",
"structure_string": "Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 5.789877363368063,
"density_atomic": 0.06346686795532967,
"volume": 346.6375560786206,
"volume_molar": 9.488637070035667,
"formula_full": "Mn22",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -183.81946655,
"energy_per_atom": -8.355430297727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.81946655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9884061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.072000Z",
"spacegroup": 216
},
{
"id": "mp-738409",
"created_at": "2022-09-04T14:40:38.925277Z",
"structure_string": "H32\n1.0\n8.471722 0.000000 0.000000\n0.000000 6.789841 0.000000\n0.000000 1.472357 7.432491\nH\n32\ndirect\n0.267084 0.006888 0.170362 H\n0.767084 0.993112 0.829638 H\n0.757931 0.526384 0.147318 H\n0.257931 0.473616 0.852682 H\n0.183112 0.980330 0.154671 H\n0.683112 0.019670 0.845329 H\n0.673022 0.541516 0.120954 H\n0.173022 0.458484 0.879046 H\n0.000835 0.555198 0.096914 H\n0.500835 0.444802 0.903086 H\n0.518924 0.947385 0.102668 H\n0.018924 0.052615 0.897332 H\n0.049089 0.490144 0.168439 H\n0.549089 0.509856 0.831561 H\n0.552509 0.031971 0.141228 H\n0.052509 0.968029 0.858772 H\n0.853613 0.840318 0.131653 H\n0.353613 0.159682 0.868347 H\n0.339082 0.696307 0.144101 H\n0.839082 0.303693 0.855899 H\n0.835230 0.901986 0.201003 H\n0.335230 0.098014 0.798997 H\n0.346917 0.587174 0.185508 H\n0.846917 0.412826 0.814492 H\n0.070400 0.680604 0.611587 H\n0.570400 0.319396 0.388413 H\n0.566066 0.836499 0.585716 H\n0.066066 0.163501 0.414284 H\n0.984721 0.651698 0.611857 H\n0.484721 0.348302 0.388143 H\n0.485466 0.864041 0.614794 H\n0.985466 0.135959 0.385206 H\n",
"nsites": 32,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1252760536033053,
"density_atomic": 0.07484870418051914,
"volume": 427.52911156381293,
"volume_molar": 8.045751527609454,
"formula_full": "H32",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -108.02237087,
"energy_per_atom": -3.3756990896875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.02237087,
"band_gap": 8.1865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.397000Z",
"spacegroup": 4
}
]
}