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=27",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=25",
"results": [
{
"id": "mp-1178932",
"created_at": "2022-09-04T14:47:08.133102Z",
"structure_string": "Te1\n1.0\n2.157882 -2.358491 0.000000\n2.157882 2.358491 0.000000\n-0.419868 0.000000 3.169014\nTe\n1\ndirect\n0.000000 0.000000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.568764661121117,
"density_atomic": 0.031001587321516835,
"volume": 32.256412861348686,
"volume_molar": 19.425265866371614,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.08921044,
"energy_per_atom": -3.08921044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.08921044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 166
},
{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.37022588,
"energy_per_atom": -5.37022588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4577781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-867305",
"created_at": "2022-09-04T14:47:35.591042Z",
"structure_string": "Pu4\n1.0\n2.124560 -4.682047 0.000000\n2.124560 4.682047 0.000000\n0.000000 0.000000 3.782455\nPu\n4\ndirect\n0.879290 0.120710 0.894846 Pu\n0.379290 0.620710 0.605154 Pu\n0.620710 0.379290 0.394846 Pu\n0.120710 0.879290 0.105154 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 21.537256482771326,
"density_atomic": 0.0531558976099562,
"volume": 75.2503518866511,
"volume_molar": 11.329205282523612,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.47000948,
"energy_per_atom": -14.11750237,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.47000948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0311843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.099000Z",
"spacegroup": 64
},
{
"id": "mp-976347",
"created_at": "2022-09-04T14:48:08.684692Z",
"structure_string": "Kr4\n1.0\n2.234396 -3.870087 0.000000\n2.234396 3.870087 0.000000\n0.000000 0.000000 15.054944\nKr\n4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.333333 0.666667 0.250000 Kr\n0.000000 0.000000 0.500000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1377293939629887,
"density_atomic": 0.015362785891887023,
"volume": 260.3694426355555,
"volume_molar": 39.199535828851516,
"formula_full": "Kr4",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.22298219,
"energy_per_atom": -0.0557455475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.22298219,
"band_gap": 7.56,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.266000Z",
"spacegroup": 194
},
{
"id": "mp-683919",
"created_at": "2022-09-04T14:39:06.465130Z",
"structure_string": "C140\n1.0\n5.054406 -8.706131 0.000000\n5.054406 8.706131 0.000000\n0.000000 0.000000 17.999963\nC\n140\ndirect\n0.179078 0.371354 0.429720 C\n0.515729 0.626542 0.817426 C\n0.026765 0.480960 0.682930 C\n0.955790 0.437490 0.250000 C\n0.628646 0.820922 0.429720 C\n0.122498 0.739809 0.114172 C\n0.044966 0.280940 0.317276 C\n0.436300 0.563700 0.013174 C\n0.052916 0.358829 0.114226 C\n0.877502 0.260191 0.614172 C\n0.375734 0.767171 0.030501 C\n0.515729 0.626542 0.682574 C\n0.820922 0.628646 0.929720 C\n0.498693 0.733315 0.027928 C\n0.947084 0.641171 0.885774 C\n0.016599 0.475851 0.114164 C\n0.309137 0.403488 0.750000 C\n0.690863 0.596512 0.250000 C\n0.232829 0.624266 0.030501 C\n0.947084 0.641171 0.614226 C\n0.498693 0.733315 0.472072 C\n0.626542 0.515729 0.317426 C\n0.006542 0.685536 0.750000 C\n0.833910 0.755301 0.682584 C\n0.373458 0.484271 0.817426 C\n0.513885 0.486115 0.061065 C\n0.388513 0.892108 0.428646 C\n0.699712 0.749480 0.113923 C\n0.596512 0.690863 0.750000 C\n0.973235 0.519040 0.317070 C\n0.611487 0.107892 0.928646 C\n0.973235 0.519040 0.182930 C\n0.767171 0.375734 0.969499 C\n0.501307 0.266685 0.527928 C\n0.699712 0.749480 0.386077 C\n0.388513 0.892108 0.071354 C\n0.761401 0.757791 0.750000 C\n0.877502 0.260191 0.885828 C\n0.626542 0.515729 0.182574 C\n0.360629 0.407552 0.613836 C\n0.232829 0.624266 0.469499 C\n0.486115 0.513885 0.561065 C\n0.358829 0.052916 0.885774 C\n0.086960 0.767791 0.250000 C\n0.016599 0.475851 0.385836 C\n0.833910 0.755301 0.817416 C\n0.501307 0.266685 0.972072 C\n0.592448 0.639371 0.886164 C\n0.955034 0.719060 0.682724 C\n0.407552 0.360629 0.113836 C\n0.375734 0.767171 0.469499 C\n0.232209 0.913040 0.250000 C\n0.563700 0.436300 0.986826 C\n0.407552 0.360629 0.386164 C\n0.052916 0.358829 0.385774 C\n0.682462 0.038255 0.817183 C\n0.436300 0.563700 0.486826 C\n0.563700 0.436300 0.513174 C\n0.044966 0.280940 0.182724 C\n0.767791 0.086960 0.750000 C\n0.624266 0.232829 0.530501 C\n0.122498 0.739809 0.385828 C\n0.628646 0.820922 0.070280 C\n0.280940 0.044966 0.682724 C\n0.519040 0.973235 0.817070 C\n0.682462 0.038255 0.682817 C\n0.179078 0.371354 0.070280 C\n0.371354 0.179078 0.929720 C\n0.260191 0.877502 0.114172 C\n0.639371 0.592448 0.386164 C\n0.733315 0.498693 0.972072 C\n0.484271 0.373458 0.182574 C\n0.892108 0.388513 0.571354 C\n0.685536 0.006542 0.250000 C\n0.993458 0.314464 0.250000 C\n0.038255 0.682462 0.317183 C\n0.719060 0.955034 0.182724 C\n0.983401 0.524149 0.614164 C\n0.317538 0.961745 0.182817 C\n0.524149 0.983401 0.114164 C\n0.480960 0.026765 0.317070 C\n0.250520 0.300288 0.386077 C\n0.913040 0.232209 0.750000 C\n0.300288 0.250520 0.886077 C\n0.475851 0.016599 0.885836 C\n0.437490 0.955790 0.750000 C\n0.733315 0.498693 0.527928 C\n0.892108 0.388513 0.928646 C\n0.373458 0.484271 0.682574 C\n0.107892 0.611487 0.428646 C\n0.166090 0.244699 0.182584 C\n0.371354 0.179078 0.570280 C\n0.757791 0.761401 0.250000 C\n0.641171 0.947084 0.114226 C\n0.562510 0.044210 0.250000 C\n0.280940 0.044966 0.817276 C\n0.486115 0.513885 0.938935 C\n0.266685 0.501307 0.027928 C\n0.107892 0.611487 0.071354 C\n0.961745 0.317538 0.682817 C\n0.624266 0.232829 0.969499 C\n0.513885 0.486115 0.438935 C\n0.749480 0.699712 0.613923 C\n0.767171 0.375734 0.530501 C\n0.360629 0.407552 0.886164 C\n0.739809 0.122498 0.614172 C\n0.611487 0.107892 0.571354 C\n0.749480 0.699712 0.886077 C\n0.266685 0.501307 0.472072 C\n0.519040 0.973235 0.682930 C\n0.244699 0.166090 0.817416 C\n0.044210 0.562510 0.750000 C\n0.641171 0.947084 0.385774 C\n0.238599 0.242209 0.250000 C\n0.166090 0.244699 0.317416 C\n0.244699 0.166090 0.682584 C\n0.755301 0.833910 0.182584 C\n0.475851 0.016599 0.614164 C\n0.250520 0.300288 0.113923 C\n0.755301 0.833910 0.317416 C\n0.480960 0.026765 0.182930 C\n0.524149 0.983401 0.385836 C\n0.317538 0.961745 0.317183 C\n0.983401 0.524149 0.885836 C\n0.403488 0.309137 0.250000 C\n0.300288 0.250520 0.613923 C\n0.820922 0.628646 0.570280 C\n0.719060 0.955034 0.317276 C\n0.038255 0.682462 0.182817 C\n0.242209 0.238599 0.750000 C\n0.314464 0.993458 0.750000 C\n0.955034 0.719060 0.817276 C\n0.961745 0.317538 0.817183 C\n0.358829 0.052916 0.614226 C\n0.592448 0.639371 0.613836 C\n0.026765 0.480960 0.817070 C\n0.739809 0.122498 0.885828 C\n0.484271 0.373458 0.317426 C\n0.639371 0.592448 0.113836 C\n0.260191 0.877502 0.385828 C\n",
"nsites": 140,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7625787211241286,
"density_atomic": 0.08837534167749117,
"volume": 1584.1522911549594,
"volume_molar": 6.814277201865477,
"formula_full": "C140",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1242.95536728,
"energy_per_atom": -8.87825262342857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1242.95536728,
"band_gap": 1.1046999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.965000Z",
"spacegroup": 63
},
{
"id": "mp-19",
"created_at": "2022-09-04T14:39:15.342777Z",
"structure_string": "Te3\n1.0\n2.256187 -3.907831 0.000000\n2.256187 3.907831 0.000000\n0.000000 0.000000 5.959899\nTe\n3\ndirect\n0.268950 0.000000 0.333333 Te\n0.000000 0.268950 0.666667 Te\n0.731050 0.731050 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0484105835889945,
"density_atomic": 0.028545752289368467,
"volume": 105.09444521163715,
"volume_molar": 21.09645140528623,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42990279,
"energy_per_atom": -3.14330093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42990279,
"band_gap": 0.5129000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.257000Z",
"spacegroup": 152
},
{
"id": "mp-1007857",
"created_at": "2022-09-04T14:39:23.375450Z",
"structure_string": "Ga4\n1.0\n2.058439 -2.331066 0.000000\n2.058439 2.331066 0.000000\n0.000000 0.000000 7.921188\nGa\n4\ndirect\n0.218668 0.781332 0.126871 Ga\n0.781332 0.218668 0.873129 Ga\n0.281332 0.718668 0.626871 Ga\n0.718668 0.281332 0.373129 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.092173540777604,
"density_atomic": 0.05261954679171708,
"volume": 76.0173784056545,
"volume_molar": 11.444683824125894,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -12.05081059,
"energy_per_atom": -3.0127026475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.05081059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.125000Z",
"spacegroup": 64
},
{
"id": "mp-1186081",
"created_at": "2022-09-04T14:42:59.947415Z",
"structure_string": "Na29\n1.0\n-6.510913 6.510913 6.510913\n6.510913 -6.510913 6.510913\n6.510913 6.510913 -6.510913\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.635887 0.000000 0.000000 Na\n0.373004 0.189566 0.000000 Na\n0.189566 0.373004 0.000000 Na\n0.682170 0.403870 0.000000 Na\n0.000000 0.635887 0.000000 Na\n0.403870 0.682169 0.000000 Na\n0.810434 0.810434 0.183438 Na\n0.373004 0.000000 0.189566 Na\n0.000000 0.373004 0.189566 Na\n0.596130 0.596130 0.278300 Na\n0.721700 0.317830 0.317830 Na\n0.317830 0.721700 0.317830 Na\n0.364113 0.364113 0.364113 Na\n0.189566 0.000000 0.373004 Na\n0.000000 0.189566 0.373004 Na\n0.682170 0.000000 0.403870 Na\n0.000000 0.682170 0.403870 Na\n0.596130 0.278300 0.596130 Na\n0.278300 0.596130 0.596130 Na\n0.816562 0.626996 0.626996 Na\n0.626996 0.816562 0.626996 Na\n0.000000 0.000000 0.635887 Na\n0.403870 0.000000 0.682170 Na\n0.000000 0.403870 0.682170 Na\n0.317830 0.317830 0.721700 Na\n0.810434 0.183438 0.810434 Na\n0.183438 0.810434 0.810434 Na\n0.626996 0.626996 0.816562 Na\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.002757779700991,
"density_atomic": 0.02626711223624468,
"volume": 1104.0421854970546,
"volume_molar": 22.92654291738377,
"formula_full": "Na29",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -38.35323351,
"energy_per_atom": -1.3225252934482759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.35323351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.133000Z",
"spacegroup": 217
},
{
"id": "mp-1197206",
"created_at": "2022-09-04T14:42:49.835794Z",
"structure_string": "U32\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-22.761924 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.215704 0.500000 U\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.500000 U\n0.000000 0.784296 0.000000 U\n0.989198 0.281920 0.750000 U\n0.010802 0.281920 0.250000 U\n0.010802 0.718080 0.250000 U\n0.989198 0.718080 0.750000 U\n0.496094 0.283089 0.561302 U\n0.503906 0.283089 0.438698 U\n0.496094 0.283089 0.938698 U\n0.503906 0.283089 0.061302 U\n0.503906 0.716911 0.438698 U\n0.496094 0.716911 0.561302 U\n0.503906 0.716911 0.061302 U\n0.496094 0.716911 0.938698 U\n0.992340 0.222753 0.624313 U\n0.007660 0.222753 0.375687 U\n0.992340 0.222753 0.875687 U\n0.007660 0.222753 0.124313 U\n0.007660 0.777247 0.375687 U\n0.992340 0.777247 0.624313 U\n0.007660 0.777247 0.124313 U\n0.992340 0.777247 0.875687 U\n0.489469 0.223072 0.688054 U\n0.510531 0.223072 0.311946 U\n0.489469 0.223072 0.811946 U\n0.510531 0.223072 0.188054 U\n0.510531 0.776928 0.311946 U\n0.489469 0.776928 0.688054 U\n0.510531 0.776928 0.188054 U\n0.489469 0.776928 0.811946 U\n",
"nsites": 32,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 676.1132893533311,
"volume_molar": 12.723904369351153,
"formula_full": "U32",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -349.9526744,
"energy_per_atom": -10.936021075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.9526744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 51
},
{
"id": "mp-1056831",
"created_at": "2022-09-04T14:42:05.634261Z",
"structure_string": "O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.227103760216571,
"density_atomic": 0.046187929382997074,
"volume": 21.65067829102824,
"volume_molar": 13.03834322180483,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.63686277,
"energy_per_atom": -3.63686277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63686277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.778000Z",
"spacegroup": 10
},
{
"id": "mp-632401",
"created_at": "2022-09-04T14:41:30.482879Z",
"structure_string": "B12\n1.0\n2.897174 0.000000 0.000000\n-1.373887 5.613512 0.000000\n-0.037028 -1.089691 5.811308\nB\n12\ndirect\n0.653101 0.618616 0.590872 B\n0.863345 0.083763 0.011624 B\n0.280632 0.919650 0.978716 B\n0.521003 0.355137 0.386687 B\n0.731627 0.871040 0.186001 B\n0.163622 0.653615 0.754088 B\n0.736596 0.895129 0.740866 B\n0.833822 0.928797 0.470007 B\n0.157262 0.626613 0.047506 B\n0.021988 0.373000 0.162910 B\n0.400849 0.073899 0.446119 B\n0.629097 0.578600 0.240610 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.279360839966697,
"density_atomic": 0.12696912242951544,
"volume": 94.51116752154901,
"volume_molar": 4.742996285055904,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -76.65427275,
"energy_per_atom": -6.3878560625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.65427275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.998000Z",
"spacegroup": 1
},
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
}
]
}