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=elements&page=1772",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=1770",
"results": [
{
"id": "mp-1017543",
"created_at": "2022-09-04T14:40:26.223146Z",
"structure_string": "Zr1 Pd3\n1.0\n4.039531 0.000000 0.000000\n0.000000 4.039531 0.000000\n0.000000 0.000000 4.039531\nZr Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 10.34076086987537,
"density_atomic": 0.06068301570381298,
"volume": 65.91630217462416,
"volume_molar": 9.92393125185702,
"formula_full": "Zr1 Pd3",
"formula_reduced": "ZrPd3",
"formula_anonymous": "AB3",
"energy": -27.26525575,
"energy_per_atom": -6.8163139375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.26525575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.728000Z",
"spacegroup": 221
},
{
"id": "mp-1207436",
"created_at": "2022-09-04T14:43:22.214067Z",
"structure_string": "Zr9 Pd11\n1.0\n-5.225874 5.225874 3.440475\n5.225874 -5.225874 3.440475\n5.225874 5.225874 -3.440475\nZr Pd\n9 11\ndirect\n0.239286 0.415293 0.654579 Zr\n0.760714 0.584707 0.345421 Zr\n0.584707 0.239286 0.823993 Zr\n0.415293 0.760714 0.176007 Zr\n0.306551 0.094812 0.401363 Zr\n0.693449 0.905188 0.598637 Zr\n0.905188 0.306551 0.211739 Zr\n0.094812 0.693449 0.788261 Zr\n0.000000 0.000000 0.000000 Zr\n0.325510 0.434758 0.334623 Pd\n0.674490 0.565242 0.665377 Pd\n0.100135 0.990886 0.665377 Pd\n0.990886 0.325510 0.890752 Pd\n0.899865 0.009114 0.334623 Pd\n0.009114 0.674490 0.109248 Pd\n0.434758 0.100135 0.109248 Pd\n0.565242 0.899865 0.890752 Pd\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.799597321739279,
"density_atomic": 0.05321495867833881,
"volume": 375.8341732611552,
"volume_molar": 11.316631468984522,
"formula_full": "Zr9 Pd11",
"formula_reduced": "Zr9Pd11",
"formula_anonymous": "A9B11",
"energy": -146.80011923,
"energy_per_atom": -7.3400059615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.80011923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.092000Z",
"spacegroup": 87
},
{
"id": "mp-30858",
"created_at": "2022-09-04T14:48:25.621915Z",
"structure_string": "Zr1 Pt3\n1.0\n4.056301 0.000000 0.000000\n0.000000 4.056301 0.000000\n0.000000 0.000000 4.056301\nZr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 16.83104057865934,
"density_atomic": 0.05993347615406067,
"volume": 66.74066409426825,
"volume_molar": 10.048041839789034,
"formula_full": "Zr1 Pt3",
"formula_reduced": "ZrPt3",
"formula_anonymous": "AB3",
"energy": -30.78821475,
"energy_per_atom": -7.6970536875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.78821475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.214000Z",
"spacegroup": 221
},
{
"id": "mp-1191960",
"created_at": "2022-09-04T14:43:15.737279Z",
"structure_string": "Zr16 Pt8\n1.0\n0.000000 6.314770 6.314770\n6.314770 0.000000 6.314770\n6.314770 6.314770 0.000000\nZr Pt\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812073 0.812073 0.187927 Zr\n0.187927 0.187927 0.812073 Zr\n0.812073 0.187927 0.812073 Zr\n0.187927 0.812073 0.187927 Zr\n0.187927 0.812073 0.812073 Zr\n0.812073 0.187927 0.187927 Zr\n0.437927 0.437927 0.062073 Zr\n0.062073 0.062073 0.437927 Zr\n0.437927 0.062073 0.437927 Zr\n0.062073 0.437927 0.062073 Zr\n0.062073 0.437927 0.437927 Zr\n0.437927 0.062073 0.062073 Zr\n0.784806 0.405065 0.405065 Pt\n0.405065 0.784806 0.405065 Pt\n0.405065 0.405065 0.784806 Pt\n0.405065 0.405065 0.405065 Pt\n0.465194 0.844935 0.844935 Pt\n0.844935 0.465194 0.844935 Pt\n0.844935 0.844935 0.465194 Pt\n0.844935 0.844935 0.844935 Pt\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 9.958415586050304,
"density_atomic": 0.04765501766194456,
"volume": 503.6195804238567,
"volume_molar": 12.636950011685856,
"formula_full": "Zr16 Pt8",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"energy": -202.23307008,
"energy_per_atom": -8.42637792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.23307008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.731000Z",
"spacegroup": 227
},
{
"id": "mp-1188043",
"created_at": "2022-09-04T14:40:11.339912Z",
"structure_string": "Zr6 Pt2\n1.0\n3.040509 -5.266316 0.000000\n3.040509 5.266316 0.000000\n0.000000 0.000000 5.130628\nZr Pt\n6 2\ndirect\n0.173050 0.346099 0.250000 Zr\n0.653901 0.826950 0.250000 Zr\n0.173050 0.826950 0.250000 Zr\n0.826950 0.653901 0.750000 Zr\n0.346099 0.173050 0.750000 Zr\n0.826950 0.173050 0.750000 Zr\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 9.474846918162308,
"density_atomic": 0.04868960554347588,
"volume": 164.30611648428015,
"volume_molar": 12.368432014966142,
"formula_full": "Zr6 Pt2",
"formula_reduced": "Zr3Pt",
"formula_anonymous": "AB3",
"energy": -66.68096165,
"energy_per_atom": -8.33512020625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.68096165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.329000Z",
"spacegroup": 194
},
{
"id": "mp-1207440",
"created_at": "2022-09-04T14:40:40.267246Z",
"structure_string": "Zr14 Pt20\n1.0\n4.854116 -6.633872 0.000000\n4.854116 6.633872 0.000000\n0.000000 0.000000 9.741211\nZr Pt\n14 20\ndirect\n0.690157 0.309843 0.000000 Zr\n0.309843 0.690157 0.000000 Zr\n0.809843 0.190157 0.500000 Zr\n0.190157 0.809843 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.003342 0.503342 0.250000 Zr\n0.996658 0.496658 0.750000 Zr\n0.496658 0.996658 0.750000 Zr\n0.503342 0.003342 0.250000 Zr\n0.317754 0.317754 0.183338 Zr\n0.682246 0.682246 0.816662 Zr\n0.182246 0.182246 0.683338 Zr\n0.817754 0.817754 0.316662 Zr\n0.853773 0.146321 0.209428 Pt\n0.146227 0.853679 0.790572 Pt\n0.646227 0.353679 0.709428 Pt\n0.646321 0.353773 0.290572 Pt\n0.353773 0.646321 0.290572 Pt\n0.353679 0.646227 0.709428 Pt\n0.853679 0.146227 0.790572 Pt\n0.146321 0.853773 0.209428 Pt\n0.936708 0.644619 0.999941 Pt\n0.063292 0.355381 0.000059 Pt\n0.563292 0.855381 0.499941 Pt\n0.144619 0.436708 0.500059 Pt\n0.436708 0.144619 0.500059 Pt\n0.855381 0.563292 0.499941 Pt\n0.355381 0.063292 0.000059 Pt\n0.644619 0.936708 0.999941 Pt\n0.108106 0.108106 0.393560 Pt\n0.891894 0.891894 0.606440 Pt\n0.391894 0.391894 0.893560 Pt\n0.608106 0.608106 0.106440 Pt\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 13.707535971339393,
"density_atomic": 0.05419493911549804,
"volume": 627.364852787095,
"volume_molar": 11.1119983863546,
"formula_full": "Zr14 Pt20",
"formula_reduced": "Zr7Pt10",
"formula_anonymous": "A7B10",
"energy": -277.6454037699999,
"energy_per_atom": -8.16604128735294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.6454037699999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.290000Z",
"spacegroup": 64
},
{
"id": "mp-11554",
"created_at": "2022-09-04T14:48:14.460595Z",
"structure_string": "Zr1 Pt1\n1.0\n3.360111 0.000000 0.000000\n0.000000 3.360111 0.000000\n0.000000 0.000000 3.360111\nZr Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 12.532038128389965,
"density_atomic": 0.05271923777535524,
"volume": 37.93681556099705,
"volume_molar": 11.423042164724128,
"formula_full": "Zr1 Pt1",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"energy": -16.43640662,
"energy_per_atom": -8.21820331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.43640662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012704,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.278000Z",
"spacegroup": 221
},
{
"id": "mp-1188129",
"created_at": "2022-09-04T14:42:51.366320Z",
"structure_string": "Zr4 Pt12\n1.0\n2.870283 -4.971475 0.000000\n2.870283 4.971475 0.000000\n0.000000 0.000000 9.381028\nZr Pt\n4 12\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.830086 0.660171 0.250000 Pt\n0.339829 0.169914 0.250000 Pt\n0.830086 0.169914 0.250000 Pt\n0.169914 0.339829 0.750000 Pt\n0.660171 0.830086 0.750000 Pt\n0.169914 0.830086 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 16.7830572339054,
"density_atomic": 0.05976261276417326,
"volume": 267.7259119030978,
"volume_molar": 10.076769541123841,
"formula_full": "Zr4 Pt12",
"formula_reduced": "ZrPt3",
"formula_anonymous": "AB3",
"energy": -123.39251614,
"energy_per_atom": -7.71203225875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.39251614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.609000Z",
"spacegroup": 194
},
{
"id": "mp-971951",
"created_at": "2022-09-04T14:47:25.496078Z",
"structure_string": "Zr3 Pt1\n1.0\n4.351298 0.000000 0.000000\n0.000000 4.351298 0.000000\n0.000000 0.000000 4.351298\nZr Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 9.447990671889906,
"density_atomic": 0.04855159592192988,
"volume": 82.38658120387906,
"volume_molar": 12.403589718623248,
"formula_full": "Zr3 Pt1",
"formula_reduced": "Zr3Pt",
"formula_anonymous": "AB3",
"energy": -33.38262982,
"energy_per_atom": -8.345657455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.38262982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.400000Z",
"spacegroup": 221
},
{
"id": "mp-1205768",
"created_at": "2022-09-04T14:43:07.296368Z",
"structure_string": "Zr1 Pt8\n1.0\n-4.249480 4.249480 2.013244\n4.249480 -4.249480 2.013244\n4.249480 4.249480 -2.013244\nZr Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.332704 0.000000 0.332704 Pt\n0.667296 0.000000 0.667296 Pt\n0.000000 0.332704 0.332704 Pt\n0.000000 0.667296 0.667296 Pt\n0.334646 0.334646 0.669292 Pt\n0.665354 0.665354 0.330708 Pt\n0.665354 0.334646 0.000000 Pt\n0.334646 0.665354 0.000000 Pt\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 18.86269815171574,
"density_atomic": 0.06188915106038859,
"volume": 145.42128702360472,
"volume_molar": 9.7305273328501,
"formula_full": "Zr1 Pt8",
"formula_reduced": "ZrPt8",
"formula_anonymous": "AB8",
"energy": -61.45717819,
"energy_per_atom": -6.828575354444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.45717819,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.280000Z",
"spacegroup": 139
},
{
"id": "mp-1065995",
"created_at": "2022-09-04T14:39:38.354843Z",
"structure_string": "Zr2 Pt2\n1.0\n1.718690 -5.222703 0.000000\n1.718690 5.222703 0.000000\n0.000000 0.000000 4.343828\nZr Pt\n2 2\ndirect\n0.858807 0.141193 0.750000 Zr\n0.141193 0.858807 0.250000 Zr\n0.591515 0.408485 0.750000 Pt\n0.408485 0.591515 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 12.193182685649608,
"density_atomic": 0.051293755306000735,
"volume": 77.98220224152801,
"volume_molar": 11.74049496683173,
"formula_full": "Zr2 Pt2",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"energy": -33.5694386,
"energy_per_atom": -8.39235965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.5694386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005454,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.962000Z",
"spacegroup": 63
},
{
"id": "mp-30859",
"created_at": "2022-09-04T14:47:12.941557Z",
"structure_string": "Zr9 Pt11\n1.0\n-5.247387 5.247387 3.430030\n5.247387 -5.247387 3.430030\n5.247387 5.247387 -3.430030\nZr Pt\n9 11\ndirect\n0.417914 0.246792 0.664706 Zr\n0.753208 0.417913 0.171121 Zr\n0.246792 0.582086 0.828879 Zr\n0.582086 0.753208 0.335294 Zr\n0.095416 0.307321 0.402738 Zr\n0.692679 0.095416 0.788095 Zr\n0.307321 0.904584 0.211905 Zr\n0.904584 0.692679 0.597262 Zr\n0.000000 0.000000 0.000000 Zr\n0.904857 0.563030 0.887035 Pt\n0.563030 0.675995 0.658173 Pt\n0.675995 0.017822 0.112965 Pt\n0.017822 0.904857 0.341827 Pt\n0.436970 0.324005 0.341827 Pt\n0.095143 0.436970 0.112965 Pt\n0.324005 0.982178 0.887035 Pt\n0.982178 0.095143 0.658173 Pt\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 13.041086071972117,
"density_atomic": 0.052940238775190385,
"volume": 377.78446910543,
"volume_molar": 11.375356249473853,
"formula_full": "Zr9 Pt11",
"formula_reduced": "Zr9Pt11",
"formula_anonymous": "A9B11",
"energy": -163.61499237,
"energy_per_atom": -8.1807496185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.61499237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.418000Z",
"spacegroup": 87
}
]
}