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=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12114",
"results": [
{
"id": "mp-1187358",
"created_at": "2022-09-04T14:46:09.689150Z",
"structure_string": "Tb2 Nd6\n1.0\n3.661923 -6.342637 0.000000\n3.661923 6.342637 0.000000\n0.000000 0.000000 6.007347\nTb Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.167273 0.334547 0.250000 Nd\n0.665453 0.832727 0.250000 Nd\n0.167273 0.832727 0.250000 Nd\n0.832727 0.665453 0.750000 Nd\n0.334547 0.167273 0.750000 Nd\n0.832727 0.167273 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Nd"
],
"chemical_system": "Nd-Tb",
"density": 7.041305280653871,
"density_atomic": 0.028668053608857814,
"volume": 279.0562662240931,
"volume_molar": 21.006451439519033,
"formula_full": "Tb2 Nd6",
"formula_reduced": "TbNd3",
"formula_anonymous": "AB3",
"energy": -37.6459466,
"energy_per_atom": -4.705743325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.6459466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0540755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.118000Z",
"spacegroup": 194
},
{
"id": "mp-1185",
"created_at": "2022-09-04T14:46:09.401699Z",
"structure_string": "V1 Rh3\n1.0\n3.816839 0.000000 0.000000\n0.000000 3.816839 0.000000\n0.000000 0.000000 3.816839\nV Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Rh"
],
"chemical_system": "Rh-V",
"density": 10.740569234522459,
"density_atomic": 0.07193636153809692,
"volume": 55.60470274663019,
"volume_molar": 8.37148367145414,
"formula_full": "V1 Rh3",
"formula_reduced": "VRh3",
"formula_anonymous": "AB3",
"energy": -32.63680296,
"energy_per_atom": -8.15920074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63680296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.919000Z",
"spacegroup": 221
},
{
"id": "mp-11843",
"created_at": "2022-09-04T14:45:59.790112Z",
"structure_string": "Dy1 Al1\n1.0\n3.597024 0.000000 0.000000\n0.000000 3.597024 0.000000\n0.000000 0.000000 3.597024\nDy Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 6.760611712356032,
"density_atomic": 0.04297342703716289,
"volume": 46.54038874466364,
"volume_molar": 14.013638602274208,
"formula_full": "Dy1 Al1",
"formula_reduced": "DyAl",
"formula_anonymous": "AB",
"energy": -9.13589895,
"energy_per_atom": -4.567949475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.13589895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.296000Z",
"spacegroup": 221
},
{
"id": "mp-2130",
"created_at": "2022-09-04T14:46:27.512109Z",
"structure_string": "Lu2 Ni4\n1.0\n0.000000 3.527817 3.527817\n3.527817 0.000000 3.527817\n3.527817 3.527817 0.000000\nLu Ni\n2 4\ndirect\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Lu\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Ni"
],
"chemical_system": "Lu-Ni",
"density": 11.057060719801004,
"density_atomic": 0.06832869222447563,
"volume": 87.81084204405091,
"volume_molar": 8.813487517390012,
"formula_full": "Lu2 Ni4",
"formula_reduced": "LuNi2",
"formula_anonymous": "AB2",
"energy": -35.27057134,
"energy_per_atom": -5.878428556666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.27057134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041035,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.656000Z",
"spacegroup": 227
},
{
"id": "mp-669699",
"created_at": "2022-09-04T14:45:58.491677Z",
"structure_string": "Nb20 Ni4\n1.0\n0.000000 5.965031 5.965031\n5.965031 0.000000 5.965031\n5.965031 5.965031 0.000000\nNb Ni\n20 4\ndirect\n0.339448 0.981655 0.339448 Nb\n0.315551 0.315551 0.684449 Nb\n0.339448 0.339448 0.981655 Nb\n0.934449 0.934449 0.565551 Nb\n0.910552 0.268345 0.910552 Nb\n0.565551 0.934449 0.565551 Nb\n0.934449 0.565551 0.934449 Nb\n0.910552 0.910552 0.268345 Nb\n0.981655 0.339448 0.339448 Nb\n0.910552 0.910552 0.910552 Nb\n0.934449 0.565551 0.565551 Nb\n0.565551 0.934449 0.934449 Nb\n0.684449 0.315551 0.315551 Nb\n0.315551 0.684449 0.315551 Nb\n0.565551 0.565551 0.934449 Nb\n0.268345 0.910552 0.910552 Nb\n0.339448 0.339448 0.339448 Nb\n0.684449 0.315551 0.684449 Nb\n0.684449 0.684449 0.315551 Nb\n0.315551 0.684449 0.684449 Nb\n0.125000 0.125000 0.625000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"Ni"
],
"chemical_system": "Nb-Ni",
"density": 8.187092811797742,
"density_atomic": 0.056538350127413796,
"volume": 424.49063239224415,
"volume_molar": 10.651426414864625,
"formula_full": "Nb20 Ni4",
"formula_reduced": "Nb5Ni",
"formula_anonymous": "AB5",
"energy": -221.81056707,
"energy_per_atom": -9.24210696125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.81056707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.653706,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.127000Z",
"spacegroup": 227
},
{
"id": "mp-1094174",
"created_at": "2022-09-04T14:45:58.484912Z",
"structure_string": "La1 Mg3\n1.0\n-2.687977 2.687977 3.635109\n2.687977 -2.687977 3.635109\n2.687977 2.687977 -3.635109\nLa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.3480235102901696,
"density_atomic": 0.03807425949668483,
"volume": 105.05785412184535,
"volume_molar": 15.816829636632473,
"formula_full": "La1 Mg3",
"formula_reduced": "LaMg3",
"formula_anonymous": "AB3",
"energy": -10.26261239,
"energy_per_atom": -2.5656530975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.26261239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.230000Z",
"spacegroup": 139
},
{
"id": "mp-980061",
"created_at": "2022-09-04T14:46:07.700807Z",
"structure_string": "Tb2 As6\n1.0\n3.007499 -5.209142 0.000000\n3.007499 5.209142 0.000000\n0.000000 0.000000 5.583575\nTb As\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.185537 0.371073 0.250000 As\n0.628927 0.814463 0.250000 As\n0.185537 0.814463 0.250000 As\n0.814463 0.628927 0.750000 As\n0.371073 0.185537 0.750000 As\n0.814463 0.185537 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"As"
],
"chemical_system": "As-Tb",
"density": 7.283593600656771,
"density_atomic": 0.04572734110265625,
"volume": 174.95003661026968,
"volume_molar": 13.169671830427465,
"formula_full": "Tb2 As6",
"formula_reduced": "TbAs3",
"formula_anonymous": "AB3",
"energy": -41.19929881,
"energy_per_atom": -5.14991235125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.19929881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.950000Z",
"spacegroup": 194
},
{
"id": "mp-1220143",
"created_at": "2022-09-04T14:46:07.162379Z",
"structure_string": "Ni4 O6\n1.0\n2.785874 4.733447 0.000000\n-2.785874 4.733447 0.000000\n0.000000 3.270051 5.017548\nNi O\n4 6\ndirect\n0.181814 0.994937 0.500077 Ni\n0.829114 0.661701 0.509206 Ni\n0.994937 0.181814 0.000077 Ni\n0.661701 0.829114 0.009206 Ni\n0.288601 0.093195 0.128660 O\n0.918889 0.827864 0.134383 O\n0.657290 0.463311 0.102675 O\n0.093195 0.288601 0.628660 O\n0.827864 0.918889 0.634383 O\n0.463311 0.657290 0.602675 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.150636399269626,
"density_atomic": 0.07556826994170945,
"volume": 132.33067275079378,
"volume_molar": 7.969139381707766,
"formula_full": "Ni4 O6",
"formula_reduced": "Ni2O3",
"formula_anonymous": "A2B3",
"energy": -58.66685295,
"energy_per_atom": -5.866685295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.38085295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0003474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.103000Z",
"spacegroup": 9
},
{
"id": "mp-1244947",
"created_at": "2022-09-04T14:46:07.147874Z",
"structure_string": "Al40 O60\n1.0\n10.547323 -0.073147 -0.127208\n-0.078046 10.399932 0.365242\n-0.067828 0.301010 9.895512\nAl O\n40 60\ndirect\n0.511020 0.229562 0.776274 Al\n0.770295 0.103852 0.385393 Al\n0.218443 0.260632 0.654169 Al\n0.166171 0.428400 0.364153 Al\n0.769287 0.304799 0.156333 Al\n0.376306 0.894671 0.476452 Al\n0.114466 0.958090 0.671379 Al\n0.988091 0.258933 0.475688 Al\n0.487815 0.338141 0.046757 Al\n0.699304 0.444170 0.865060 Al\n0.445701 0.436545 0.575724 Al\n0.232301 0.754486 0.902439 Al\n0.585004 0.983728 0.628571 Al\n0.907003 0.843025 0.452266 Al\n0.558043 0.038049 0.952429 Al\n0.710980 0.716660 0.867531 Al\n0.236027 0.218416 0.152347 Al\n0.651104 0.934154 0.195549 Al\n0.239769 0.087434 0.392858 Al\n0.331001 0.941898 0.135519 Al\n0.844573 0.135599 0.986880 Al\n0.450968 0.606866 0.879862 Al\n0.889041 0.817465 0.061759 Al\n0.116671 0.740822 0.221553 Al\n0.106966 0.026131 0.972413 Al\n0.501380 0.169501 0.378788 Al\n0.072331 0.514972 0.786672 Al\n0.612787 0.674711 0.158356 Al\n0.994014 0.214198 0.774931 Al\n0.845927 0.925819 0.756273 Al\n0.928591 0.537810 0.051249 Al\n0.573802 0.457566 0.322047 Al\n0.362513 0.608311 0.362244 Al\n0.309341 0.674768 0.661242 Al\n0.799304 0.585021 0.625172 Al\n0.614465 0.726125 0.455312 Al\n0.219883 0.477093 0.070656 Al\n0.733148 0.291600 0.569660 Al\n0.971202 0.044690 0.251449 Al\n0.841833 0.461100 0.353101 Al\n0.983807 0.957276 0.089630 O\n0.127970 0.107981 0.254558 O\n0.508203 0.201092 0.955545 O\n0.166471 0.247164 0.479233 O\n0.599124 0.338863 0.186209 O\n0.900918 0.264721 0.627695 O\n0.570192 0.697546 0.973629 O\n0.222193 0.964381 0.538767 O\n0.538072 0.455852 0.925312 O\n0.871867 0.078972 0.815682 O\n0.125423 0.122111 0.715011 O\n0.005150 0.430104 0.419072 O\n0.945885 0.106198 0.420673 O\n0.255257 0.076703 0.043375 O\n0.739300 0.796238 0.127199 O\n0.710122 0.027311 0.026025 O\n0.221596 0.815495 0.087635 O\n0.783591 0.565494 0.966014 O\n0.984571 0.684639 0.121625 O\n0.371802 0.769306 0.794791 O\n0.320115 0.941883 0.310769 O\n0.920994 0.538973 0.729812 O\n0.464018 0.562759 0.221941 O\n0.772155 0.302208 0.967652 O\n0.956724 0.900561 0.620205 O\n0.321886 0.342028 0.044358 O\n0.137039 0.902407 0.849027 O\n0.071394 0.497826 0.970212 O\n0.525715 0.572619 0.467604 O\n0.161056 0.658891 0.746088 O\n0.571949 0.789166 0.289572 O\n0.306298 0.463831 0.461977 O\n0.785598 0.723958 0.504306 O\n0.159482 0.365250 0.204422 O\n0.814494 0.942937 0.328439 O\n0.858384 0.158615 0.170981 O\n0.117082 0.359224 0.740646 O\n0.784580 0.285397 0.375371 O\n0.538516 0.327495 0.453225 O\n0.036762 0.818889 0.348594 O\n0.618675 0.081073 0.292764 O\n0.696081 0.109289 0.552267 O\n0.205274 0.597560 0.267660 O\n0.765781 0.463370 0.516821 O\n0.381829 0.289491 0.676505 O\n0.444514 0.059682 0.510688 O\n0.641709 0.329749 0.719601 O\n0.489340 0.941492 0.083576 O\n0.707716 0.559824 0.276339 O\n0.688667 0.873949 0.738624 O\n0.676224 0.598011 0.742293 O\n0.866975 0.801323 0.887319 O\n0.318387 0.725773 0.485934 O\n0.407136 0.543011 0.708403 O\n0.353631 0.193748 0.291147 O\n0.885136 0.427605 0.183057 O\n0.528335 0.058903 0.773619 O\n0.024127 0.180895 0.956078 O\n0.303449 0.602120 0.977389 O\n0.532647 0.842948 0.541704 O\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.1233754891418433,
"density_atomic": 0.09223799154433387,
"volume": 1084.151967380332,
"volume_molar": 6.528915752795289,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -772.50083437,
"energy_per_atom": -7.7250083437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -731.28083437,
"band_gap": 4.084,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.640000Z",
"spacegroup": 1
},
{
"id": "mp-1519",
"created_at": "2022-09-04T14:46:07.931498Z",
"structure_string": "Ca1 Te1\n1.0\n0.000000 3.198614 3.198614\n3.198614 0.000000 3.198614\n3.198614 3.198614 0.000000\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.254119504496153,
"density_atomic": 0.03055726627797402,
"volume": 65.4508810377982,
"volume_molar": 19.707720923781782,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy": -8.867579580000001,
"energy_per_atom": -4.4337897900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44557958,
"band_gap": 1.5535,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.369000Z",
"spacegroup": 225
},
{
"id": "mp-1102507",
"created_at": "2022-09-04T14:46:08.046028Z",
"structure_string": "Nd4 Mn8\n1.0\n-2.755650 -4.469788 0.000000\n-2.755650 4.469788 0.000000\n0.000000 0.000000 -8.847382\nNd Mn\n4 8\ndirect\n0.663892 0.336108 0.938601 Nd\n0.336108 0.663892 0.061399 Nd\n0.663892 0.336108 0.561399 Nd\n0.336108 0.663892 0.438601 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.145821 0.854179 0.750000 Mn\n0.854179 0.145821 0.250000 Mn\n0.661442 0.857131 0.750000 Mn\n0.857131 0.661442 0.250000 Mn\n0.338558 0.142869 0.250000 Mn\n0.142869 0.338558 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"Mn"
],
"chemical_system": "Mn-Nd",
"density": 7.7444203068858695,
"density_atomic": 0.055058641290102,
"volume": 217.9494393400017,
"volume_molar": 10.937685018904764,
"formula_full": "Nd4 Mn8",
"formula_reduced": "NdMn2",
"formula_anonymous": "AB2",
"energy": -88.74109907,
"energy_per_atom": -7.395091589166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.74109907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.5889793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.532000Z",
"spacegroup": 63
},
{
"id": "mp-2058",
"created_at": "2022-09-04T14:46:01.903246Z",
"structure_string": "Ni12 B4\n1.0\n4.384397 0.000000 0.000000\n0.000000 5.177221 0.000000\n0.000000 0.000000 6.620459\nNi B\n12 4\ndirect\n0.655842 0.819982 0.937184 Ni\n0.155842 0.680018 0.062816 Ni\n0.844158 0.319982 0.562816 Ni\n0.344158 0.180018 0.437184 Ni\n0.866729 0.027955 0.250000 Ni\n0.366729 0.472045 0.750000 Ni\n0.633271 0.527955 0.250000 Ni\n0.133271 0.972045 0.750000 Ni\n0.655842 0.819982 0.562816 Ni\n0.155842 0.680018 0.437184 Ni\n0.844158 0.319982 0.937184 Ni\n0.344158 0.180018 0.062816 Ni\n0.560706 0.118324 0.750000 B\n0.060706 0.381676 0.250000 B\n0.939294 0.618324 0.750000 B\n0.439294 0.881676 0.250000 B\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 8.26044159696602,
"density_atomic": 0.10646952248983271,
"volume": 150.27774733870828,
"volume_molar": 5.656210922308854,
"formula_full": "Ni12 B4",
"formula_reduced": "Ni3B",
"formula_anonymous": "AB3",
"energy": -100.28476204,
"energy_per_atom": -6.2677976275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.28476204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0254739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.331000Z",
"spacegroup": 62
}
]
}