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=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=51",
"results": [
{
"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-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-582819",
"created_at": "2022-09-04T14:42:58.453356Z",
"structure_string": "Pu8\n1.0\n3.059625 -5.299425 0.000000\n3.059625 5.299425 0.000000\n0.000000 0.000000 5.182756\nPu\n8\ndirect\n0.737358 0.657256 0.750000 Pu\n0.342744 0.080103 0.750000 Pu\n0.080103 0.737358 0.250000 Pu\n0.657256 0.919897 0.250000 Pu\n0.919897 0.262642 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.262642 0.342744 0.250000 Pu\n0.333333 0.666667 0.750000 Pu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 19.285957305362466,
"density_atomic": 0.04759948755097521,
"volume": 168.06903627759954,
"volume_molar": 12.651692423265635,
"formula_full": "Pu8",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -113.28428353,
"energy_per_atom": -14.16053544125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.28428353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1501701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.908000Z",
"spacegroup": 176
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
},
{
"id": "mp-1183455",
"created_at": "2022-09-04T14:40:00.770332Z",
"structure_string": "Ca1\n1.0\n-2.085022 2.085022 2.407126\n2.085022 -2.085022 2.407126\n2.085022 2.085022 -2.407126\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5899191478350851,
"density_atomic": 0.023890206369057712,
"volume": 41.85815662501715,
"volume_molar": 25.207571114997982,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.9925282,
"energy_per_atom": -1.9925282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.9925282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.655000Z",
"spacegroup": 139
},
{
"id": "mp-1187717",
"created_at": "2022-09-04T14:42:25.805838Z",
"structure_string": "Y4\n1.0\n1.794548 -3.108248 0.000000\n1.794548 3.108248 0.000000\n0.000000 0.000000 11.595924\nY\n4\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.750000 Y\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.5649216634867065,
"density_atomic": 0.030921025810326838,
"volume": 129.36181433748234,
"volume_molar": 19.47587637273262,
"formula_full": "Y4",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -25.83815292,
"energy_per_atom": -6.45953823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.83815292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.798000Z",
"spacegroup": 194
},
{
"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-1987603",
"created_at": "2022-09-04T14:43:10.912759Z",
"structure_string": "U16\n1.0\n0.000000 -5.026972 -5.404560\n0.000000 -5.026972 5.404560\n-16.320594 0.000000 0.000000\nU\n16\ndirect\n0.631180 0.368820 0.750000 U\n0.868820 0.131180 0.250000 U\n0.368820 0.631180 0.250000 U\n0.131180 0.868820 0.750000 U\n0.881400 0.118600 0.750000 U\n0.618600 0.381400 0.250000 U\n0.118600 0.881400 0.250000 U\n0.381400 0.618600 0.750000 U\n0.005050 0.494950 0.764628 U\n0.505050 0.994950 0.735372 U\n0.494950 0.005050 0.264628 U\n0.994950 0.505050 0.235372 U\n0.756727 0.743273 0.738059 U\n0.256727 0.243273 0.761941 U\n0.743273 0.756727 0.238059 U\n0.243273 0.256727 0.261941 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 7.131255919832763,
"density_atomic": 0.01804210545670994,
"volume": 886.814459564614,
"volume_molar": 33.37825939688396,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -154.020113,
"energy_per_atom": -9.6262570625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.020113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.3871001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.540000Z",
"spacegroup": 64
},
{
"id": "mp-557031",
"created_at": "2022-09-04T14:39:18.325993Z",
"structure_string": "S32\n1.0\n5.034567 10.732526 0.000000\n-5.034567 10.732526 0.000000\n0.000000 2.066152 9.436112\nS\n32\ndirect\n0.118012 0.465519 0.138538 S\n0.488889 0.084356 0.307196 S\n0.363732 0.742079 0.042514 S\n0.309290 0.938480 0.077952 S\n0.159861 0.032518 0.251310 S\n0.863994 0.046405 0.313513 S\n0.061520 0.690710 0.422048 S\n0.136006 0.953595 0.686487 S\n0.032518 0.159861 0.751310 S\n0.938480 0.309290 0.577952 S\n0.840139 0.967482 0.748690 S\n0.534481 0.881988 0.361462 S\n0.915644 0.511111 0.192804 S\n0.663091 0.792464 0.529450 S\n0.881988 0.534481 0.861462 S\n0.690710 0.061520 0.922048 S\n0.207536 0.336909 0.970550 S\n0.465519 0.118012 0.638538 S\n0.967482 0.840139 0.248690 S\n0.511111 0.915644 0.692804 S\n0.581941 0.509345 0.690486 S\n0.046405 0.863994 0.813513 S\n0.792464 0.663091 0.029450 S\n0.953595 0.136006 0.186487 S\n0.418059 0.490655 0.309514 S\n0.084356 0.488889 0.807196 S\n0.742079 0.363732 0.542514 S\n0.490655 0.418059 0.809514 S\n0.336909 0.207536 0.470550 S\n0.257921 0.636268 0.457486 S\n0.636268 0.257921 0.957486 S\n0.509345 0.581941 0.190486 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6708719307177318,
"density_atomic": 0.03138071405642426,
"volume": 1019.7346033127936,
"volume_molar": 19.19057912185127,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -130.95916396,
"energy_per_atom": -4.09247387375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.95916396,
"band_gap": 2.0442,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.437000Z",
"spacegroup": 15
},
{
"id": "mp-8633",
"created_at": "2022-09-04T14:41:22.753562Z",
"structure_string": "Cr1\n1.0\n0.000000 1.812208 1.812208\n1.812208 0.000000 1.812208\n1.812208 1.812208 0.000000\nCr\n1\ndirect\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.253802758851251,
"density_atomic": 0.0840128803394382,
"volume": 11.902936739696207,
"volume_molar": 7.168116050382605,
"formula_full": "Cr1",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -9.25052113,
"energy_per_atom": -9.25052113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.25052113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.017000Z",
"spacegroup": 225
},
{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8270613,
"energy_per_atom": -3.8270613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8270613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-1096835",
"created_at": "2022-09-04T14:45:36.957617Z",
"structure_string": "Ba4\n1.0\n-3.561742 -4.641180 0.000000\n-3.561742 4.641180 0.000000\n0.000000 0.000000 -6.578505\nBa\n4\ndirect\n0.355844 0.144156 0.250000 Ba\n0.644156 0.855844 0.750000 Ba\n0.986551 0.513449 0.250000 Ba\n0.013449 0.486551 0.750000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 4.193889148209845,
"density_atomic": 0.018391278329159006,
"volume": 217.4943975296203,
"volume_molar": 32.74454691086924,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -5.62188725,
"energy_per_atom": -1.4054718125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.62188725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0134804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.727000Z",
"spacegroup": 63
}
]
}