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=energy_per_atom&page=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=38",
"results": [
{
"id": "mp-861978",
"created_at": "2022-09-04T14:45:13.752915Z",
"structure_string": "Hf2 Re1 Ir1\n1.0\n0.000000 3.272129 3.272129\n3.272129 0.000000 3.272129\n3.272129 3.272129 0.000000\nHf Re Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Ir"
],
"chemical_system": "Hf-Ir-Re",
"density": 17.428252318279327,
"density_atomic": 0.0570872003403543,
"volume": 70.0682460543164,
"volume_molar": 10.5490210136352,
"formula_full": "Hf2 Re1 Ir1",
"formula_reduced": "Hf2ReIr",
"formula_anonymous": "ABC2",
"energy": -44.19172517,
"energy_per_atom": -11.0479312925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.19172517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.125000Z",
"spacegroup": 225
},
{
"id": "mp-1080146",
"created_at": "2022-09-04T14:45:07.935378Z",
"structure_string": "Pu6 Si4\n1.0\n7.234318 0.000000 0.000000\n0.000000 7.234318 0.000000\n0.000000 0.000000 4.067059\nPu Si\n6 4\ndirect\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Pu\n0.681668 0.181668 0.500000 Pu\n0.318332 0.818332 0.500000 Pu\n0.181668 0.318332 0.500000 Pu\n0.818332 0.681668 0.500000 Pu\n0.116351 0.616351 0.000000 Si\n0.883649 0.383649 0.000000 Si\n0.616351 0.883649 0.000000 Si\n0.383649 0.116351 0.000000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 12.297699635707028,
"density_atomic": 0.0469812250488926,
"volume": 212.85098440053793,
"volume_molar": 12.818185889646037,
"formula_full": "Pu6 Si4",
"formula_reduced": "Pu3Si2",
"formula_anonymous": "A2B3",
"energy": -110.44054031,
"energy_per_atom": -11.044054031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.72454031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.533414,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.691000Z",
"spacegroup": 127
},
{
"id": "mp-867123",
"created_at": "2022-09-04T14:42:01.595535Z",
"structure_string": "Ta1 Ti1 Os2\n1.0\n0.000000 3.146154 3.146154\n3.146154 0.000000 3.146154\n3.146154 3.146154 0.000000\nTa Ti Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Os"
],
"chemical_system": "Os-Ta-Ti",
"density": 16.243979914131312,
"density_atomic": 0.06422292255299755,
"volume": 62.283057839654525,
"volume_molar": 9.376933531840526,
"formula_full": "Ta1 Ti1 Os2",
"formula_reduced": "TaTiOs2",
"formula_anonymous": "ABC2",
"energy": -44.17574845,
"energy_per_atom": -11.0439371125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.17574845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.963000Z",
"spacegroup": 225
},
{
"id": "mp-1096994",
"created_at": "2022-09-04T14:47:27.280678Z",
"structure_string": "Hf2 N2\n1.0\n1.578209 -2.733539 0.000000\n1.578209 2.733539 0.000000\n0.000000 0.000000 5.429026\nHf N\n2 2\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666667 0.333333 0.750000 Hf\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.647737934618606,
"density_atomic": 0.08539221599774702,
"volume": 46.84267709021084,
"volume_molar": 7.052329875311922,
"formula_full": "Hf2 N2",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy": -44.17330297,
"energy_per_atom": -11.0433257425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.45130297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.596000Z",
"spacegroup": 194
},
{
"id": "mp-1224289",
"created_at": "2022-09-04T14:40:35.337736Z",
"structure_string": "Hf1 Ta1 C1 N1\n1.0\n5.319182 -1.596957 0.000000\n5.319182 1.596957 0.000000\n4.839733 0.000000 2.724142\nHf Ta C N\n1 1 1 1\ndirect\n0.747077 0.747077 0.747077 Hf\n0.253661 0.253661 0.253661 Ta\n0.997526 0.997526 0.997526 C\n0.501736 0.501736 0.501736 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Hf",
"Ta",
"C",
"N"
],
"chemical_system": "C-Hf-N-Ta",
"density": 13.8300989090444,
"density_atomic": 0.08642953588158912,
"volume": 46.28047529353984,
"volume_molar": 6.96768841643498,
"formula_full": "Hf1 Ta1 C1 N1",
"formula_reduced": "HfTaCN",
"formula_anonymous": "ABCD",
"energy": -44.1708794,
"energy_per_atom": -11.04271985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.8098794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.718000Z",
"spacegroup": 160
},
{
"id": "mp-1181235",
"created_at": "2022-09-04T14:45:41.735239Z",
"structure_string": "Gd2 O4\n1.0\n4.184418 0.000000 0.000000\n0.000000 3.728709 0.000000\n-1.520796 0.000000 5.889890\nGd O\n2 4\ndirect\n0.319057 0.750000 0.202121 Gd\n0.680943 0.250000 0.797879 Gd\n0.760552 0.750000 0.043212 O\n0.239448 0.250000 0.956788 O\n0.699476 0.750000 0.559015 O\n0.300524 0.250000 0.440985 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"O"
],
"chemical_system": "Gd-O",
"density": 6.839297430529564,
"density_atomic": 0.06529057807561599,
"volume": 91.89687358949598,
"volume_molar": 9.223598469331188,
"formula_full": "Gd2 O4",
"formula_reduced": "GdO2",
"formula_anonymous": "AB2",
"energy": -66.25443726,
"energy_per_atom": -11.042406210000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.50643726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.6669176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.460000Z",
"spacegroup": 11
},
{
"id": "mp-1206027",
"created_at": "2022-09-04T14:44:09.344699Z",
"structure_string": "Eu2 Gd1 Ta1 O6\n1.0\n0.000000 4.230549 4.230549\n4.230549 0.000000 4.230549\n4.230549 4.230549 0.000000\nEu Gd Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Ta\n0.764410 0.235590 0.235590 O\n0.235590 0.764410 0.764410 O\n0.235590 0.764410 0.235590 O\n0.764410 0.235590 0.764410 O\n0.235590 0.235590 0.764410 O\n0.764410 0.764410 0.235590 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Gd",
"Ta",
"O"
],
"chemical_system": "Eu-Gd-O-Ta",
"density": 8.093888691062203,
"density_atomic": 0.06603585656592442,
"volume": 151.4328808624883,
"volume_molar": 9.119501242462148,
"formula_full": "Eu2 Gd1 Ta1 O6",
"formula_reduced": "Eu2GdTaO6",
"formula_anonymous": "ABC2D6",
"energy": -110.40027092,
"energy_per_atom": -11.040027091999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.27827092,
"band_gap": 0.6783000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 21.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.017000Z",
"spacegroup": 225
},
{
"id": "mp-780342",
"created_at": "2022-09-04T14:48:17.040809Z",
"structure_string": "Gd8 Zr8 O28\n1.0\n6.985506 0.000000 0.000000\n0.000000 7.509094 0.000000\n0.000000 1.842957 12.036943\nGd Zr O\n8 8 28\ndirect\n0.889957 0.524611 0.638731 Gd\n0.389957 0.475389 0.861269 Gd\n0.679351 0.745923 0.386961 Gd\n0.179351 0.254077 0.113039 Gd\n0.820649 0.745923 0.886961 Gd\n0.320649 0.254077 0.613039 Gd\n0.610043 0.524611 0.138731 Gd\n0.110043 0.475389 0.361269 Gd\n0.858390 0.248969 0.898412 Zr\n0.358390 0.751031 0.601588 Zr\n0.112404 0.947542 0.386241 Zr\n0.612404 0.052458 0.113759 Zr\n0.387596 0.947542 0.886241 Zr\n0.887596 0.052458 0.613759 Zr\n0.641610 0.248969 0.398412 Zr\n0.141610 0.751031 0.101588 Zr\n0.680021 0.006894 0.935886 O\n0.228981 0.523573 0.674697 O\n0.103150 0.377649 0.931833 O\n0.060954 0.813083 0.252079 O\n0.606810 0.802257 0.202854 O\n0.603150 0.622351 0.568167 O\n0.728981 0.476427 0.825303 O\n0.998967 0.687436 0.471174 O\n0.381189 0.839302 0.423731 O\n0.439046 0.813083 0.752079 O\n0.180021 0.993106 0.564114 O\n0.893190 0.802257 0.702854 O\n0.501033 0.687436 0.971174 O\n0.118811 0.839302 0.923731 O\n0.881189 0.160698 0.076269 O\n0.498967 0.312564 0.028826 O\n0.106810 0.197743 0.297146 O\n0.819979 0.006894 0.435886 O\n0.560954 0.186917 0.247921 O\n0.618811 0.160698 0.576269 O\n0.001033 0.312564 0.528826 O\n0.271019 0.523573 0.174697 O\n0.396850 0.377649 0.431833 O\n0.393190 0.197743 0.797146 O\n0.939046 0.186917 0.747921 O\n0.896850 0.622351 0.068167 O\n0.771019 0.476427 0.325303 O\n0.319979 0.993106 0.064114 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Gd",
"Zr",
"O"
],
"chemical_system": "Gd-O-Zr",
"density": 6.405966850023104,
"density_atomic": 0.06968688653513017,
"volume": 631.395692758048,
"volume_molar": 8.641713038742449,
"formula_full": "Gd8 Zr8 O28",
"formula_reduced": "Gd2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy": -485.73051467,
"energy_per_atom": -11.039329878863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -466.49451467,
"band_gap": 3.1543,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 56.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.686000Z",
"spacegroup": 14
},
{
"id": "mp-1216295",
"created_at": "2022-09-04T14:44:55.063841Z",
"structure_string": "V1 Re11 B4\n1.0\n1.466594 -4.672650 0.000000\n1.466594 4.672650 0.000000\n0.000000 0.000000 14.633306\nV Re B\n1 11 4\ndirect\n0.571174 0.428826 0.000000 V\n0.864897 0.135103 0.092150 Re\n0.866626 0.133374 0.592744 Re\n0.137151 0.862849 0.151726 Re\n0.134178 0.865822 0.658713 Re\n0.864897 0.135103 0.907850 Re\n0.866626 0.133374 0.407256 Re\n0.134178 0.865822 0.341287 Re\n0.137151 0.862849 0.848274 Re\n0.576817 0.423183 0.500000 Re\n0.426119 0.573881 0.248436 Re\n0.426119 0.573881 0.751564 Re\n0.250006 0.749994 0.000000 B\n0.254788 0.745212 0.500000 B\n0.744636 0.255364 0.249120 B\n0.744636 0.255364 0.750880 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Re",
"B"
],
"chemical_system": "B-Re-V",
"density": 17.738492995365984,
"density_atomic": 0.07977638943993388,
"volume": 200.5605933325285,
"volume_molar": 7.548775774735025,
"formula_full": "V1 Re11 B4",
"formula_reduced": "VRe11B4",
"formula_anonymous": "AB4C11",
"energy": -176.61527393,
"energy_per_atom": -11.038454620625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.61527393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.829000Z",
"spacegroup": 38
},
{
"id": "mp-864651",
"created_at": "2022-09-04T14:42:52.771711Z",
"structure_string": "Ta2 Nb1 Ru1\n1.0\n0.000000 3.234890 3.234890\n3.234890 0.000000 3.234890\n3.234890 3.234890 0.000000\nTa Nb Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru-Ta",
"density": 13.633754126561017,
"density_atomic": 0.05908149054979069,
"volume": 67.70309893635834,
"volume_molar": 10.192939792073906,
"formula_full": "Ta2 Nb1 Ru1",
"formula_reduced": "Ta2NbRu",
"formula_anonymous": "ABC2",
"energy": -44.14708863,
"energy_per_atom": -11.0367721575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.14708863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.825000Z",
"spacegroup": 225
},
{
"id": "mp-1213363",
"created_at": "2022-09-04T14:40:52.566759Z",
"structure_string": "Eu4 Np4 O12\n1.0\n5.985706 0.000000 0.000000\n0.000000 6.141071 0.000000\n0.000000 0.000000 8.585231\nEu Np O\n4 4 12\ndirect\n0.011835 0.449878 0.250000 Eu\n0.988165 0.550122 0.750000 Eu\n0.511835 0.050122 0.750000 Eu\n0.488165 0.949878 0.250000 Eu\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.500000 Np\n0.500000 0.500000 0.500000 Np\n0.307139 0.195952 0.060605 O\n0.692861 0.804048 0.939395 O\n0.807139 0.304048 0.939395 O\n0.692861 0.804048 0.560605 O\n0.192861 0.695952 0.060605 O\n0.307139 0.195952 0.439395 O\n0.192861 0.695952 0.439395 O\n0.807139 0.304048 0.560605 O\n0.615068 0.548795 0.250000 O\n0.384932 0.451205 0.750000 O\n0.115068 0.951205 0.750000 O\n0.884932 0.048795 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Eu",
"Np",
"O"
],
"chemical_system": "Eu-Np-O",
"density": 9.196900179455284,
"density_atomic": 0.06337507850277309,
"volume": 315.5814631318345,
"volume_molar": 9.50237996113329,
"formula_full": "Eu4 Np4 O12",
"formula_reduced": "EuNpO3",
"formula_anonymous": "ABC3",
"energy": -220.70102947000004,
"energy_per_atom": -11.035051473500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.45702947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.9999991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.503000Z",
"spacegroup": 62
},
{
"id": "mp-926",
"created_at": "2022-09-04T14:42:49.292486Z",
"structure_string": "Pu1 P1\n1.0\n0.000000 2.832133 2.832133\n2.832133 0.000000 2.832133\n2.832133 2.832133 0.000000\nPu P\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"P"
],
"chemical_system": "P-Pu",
"density": 10.050077804302529,
"density_atomic": 0.04402091513544263,
"volume": 45.432949175328176,
"volume_molar": 13.68018075378761,
"formula_full": "Pu1 P1",
"formula_reduced": "PuP",
"formula_anonymous": "AB",
"energy": -22.06845357,
"energy_per_atom": -11.034226785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.06845357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9573841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.197000Z",
"spacegroup": 225
}
]
}