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=28",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=26",
"results": [
{
"id": "mp-23907",
"created_at": "2022-09-04T14:47:07.909560Z",
"structure_string": "H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03997628985771613,
"density_atomic": 0.023884640421942032,
"volume": 83.73582204581426,
"volume_molar": 25.213445350710234,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -2.23482046,
"energy_per_atom": -1.11741023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.23482046,
"band_gap": 7.4848,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.863000Z",
"spacegroup": 194
},
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-1183484",
"created_at": "2022-09-04T14:48:05.898626Z",
"structure_string": "Ca4\n1.0\n1.942791 -3.365013 0.000000\n1.942791 3.365013 0.000000\n0.000000 0.000000 12.820621\nCa\n4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5880466021324728,
"density_atomic": 0.023862069401632786,
"volume": 167.6300547397744,
"volume_molar": 25.237294631235663,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -7.99680069,
"energy_per_atom": -1.9992001725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99680069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.974000Z",
"spacegroup": 194
},
{
"id": "mp-1076923",
"created_at": "2022-09-04T14:46:37.785596Z",
"structure_string": "Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.9703330921975528,
"density_atomic": 0.003229373268876708,
"volume": 1238.6304297958543,
"volume_molar": 186.48016994624834,
"formula_full": "Ta4",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -26.84558027,
"energy_per_atom": -6.7113950675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.84558027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8204823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.907000Z",
"spacegroup": 127
},
{
"id": "mp-169",
"created_at": "2022-09-04T14:42:24.446100Z",
"structure_string": "C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8803468488618567,
"density_atomic": 0.09428021185594328,
"volume": 21.213359204749423,
"volume_molar": 6.387491756172134,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.45088693,
"energy_per_atom": -9.225443465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45088693,
"band_gap": 0.5311999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.163000Z",
"spacegroup": 166
},
{
"id": "mp-542606",
"created_at": "2022-09-04T14:39:41.157603Z",
"structure_string": "Pu17\n1.0\n5.168143 5.826663 0.000000\n-5.168143 5.826663 0.000000\n0.000000 4.625207 6.288572\nPu\n17\ndirect\n0.000000 0.000000 0.000000 Pu\n0.731364 0.268636 0.500000 Pu\n0.268636 0.731364 0.500000 Pu\n0.868015 0.868015 0.758336 Pu\n0.131985 0.131985 0.241664 Pu\n0.682516 0.682516 0.242862 Pu\n0.317484 0.317484 0.757138 Pu\n0.593645 0.593645 0.729164 Pu\n0.406355 0.406355 0.270836 Pu\n0.145150 0.575429 0.025474 Pu\n0.424571 0.854850 0.974526 Pu\n0.854850 0.424571 0.974526 Pu\n0.575429 0.145150 0.025474 Pu\n0.990939 0.690284 0.416690 Pu\n0.309716 0.009061 0.583310 Pu\n0.009061 0.309716 0.583310 Pu\n0.690284 0.990939 0.416690 Pu\n",
"nsites": 17,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 18.186594755543936,
"density_atomic": 0.04488616131180817,
"volume": 378.73588436104075,
"volume_molar": 13.416475332266293,
"formula_full": "Pu17",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -229.10815608,
"energy_per_atom": -13.476950357647057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.10815608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.4777296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.685000Z",
"spacegroup": 12
},
{
"id": "mp-1077723",
"created_at": "2022-09-04T14:39:29.549581Z",
"structure_string": "Zr6\n1.0\n-2.749933 3.100227 4.160119\n2.749933 -3.100227 4.160119\n2.749933 3.100227 -4.160119\nZr\n6\ndirect\n0.750000 0.500000 0.250000 Zr\n0.250000 0.500000 0.750000 Zr\n0.822893 0.905336 0.082443 Zr\n0.322893 0.740450 0.417557 Zr\n0.177107 0.094664 0.917557 Zr\n0.677107 0.259550 0.582443 Zr\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.406607342244427,
"density_atomic": 0.0422931369183311,
"volume": 141.8669892371928,
"volume_molar": 14.239049639729668,
"formula_full": "Zr6",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -51.191718,
"energy_per_atom": -8.531953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.191718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.069000Z",
"spacegroup": 72
},
{
"id": "mp-1077335",
"created_at": "2022-09-04T14:41:56.460359Z",
"structure_string": "U6\n1.0\n3.561406 4.160613 0.000000\n-3.561406 4.160613 0.000000\n0.000000 3.653785 4.226166\nU\n6\ndirect\n0.178769 0.821231 0.250000 U\n0.821231 0.178769 0.750000 U\n0.195622 0.360741 0.870062 U\n0.639259 0.804378 0.629938 U\n0.804378 0.639259 0.129938 U\n0.360741 0.195622 0.370062 U\n",
"nsites": 6,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.935409451040684,
"density_atomic": 0.04790666020434587,
"volume": 125.24354597893067,
"volume_molar": 12.570571052777542,
"formula_full": "U6",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -66.05981717,
"energy_per_atom": -11.009969528333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05981717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.79005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.984000Z",
"spacegroup": 15
},
{
"id": "mp-1008733",
"created_at": "2022-09-04T14:47:24.181157Z",
"structure_string": "Ge2\n1.0\n1.495562 -2.590389 0.000000\n1.495562 2.590389 0.000000\n0.000000 0.000000 5.003386\nGe\n2\ndirect\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.222881270134663,
"density_atomic": 0.051590125212650204,
"volume": 38.7671088557387,
"volume_molar": 11.67304931937505,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -8.58374841,
"energy_per_atom": -4.291874205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.58374841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.048000Z",
"spacegroup": 194
},
{
"id": "mp-10750",
"created_at": "2022-09-04T14:45:15.420176Z",
"structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.574274371555358,
"density_atomic": 0.03177568442966833,
"volume": 31.470604581732307,
"volume_molar": 18.952041059349284,
"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.58546351,
"energy_per_atom": -4.58546351,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58546351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.404000Z",
"spacegroup": 225
},
{
"id": "mp-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.46197547512238424,
"density_atomic": 0.0695068193094468,
"volume": 28.774155109816345,
"volume_molar": 8.664100616069366,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.01417751,
"energy_per_atom": -0.007088755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.01417751,
"band_gap": 17.7675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"id": "mp-571520",
"created_at": "2022-09-04T14:45:58.119232Z",
"structure_string": "Si8\n1.0\n3.317924 -4.721591 0.000000\n3.317924 4.721591 0.000000\n-3.401162 0.000000 4.661988\nSi\n8\ndirect\n0.981584 0.283376 0.479826 Si\n0.018416 0.716624 0.520174 Si\n0.286929 0.286929 0.286929 Si\n0.716624 0.520174 0.018416 Si\n0.520174 0.018416 0.716624 Si\n0.283376 0.479826 0.981584 Si\n0.713071 0.713071 0.713071 Si\n0.479826 0.981584 0.283376 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.554261157759428,
"density_atomic": 0.05476890293975031,
"volume": 146.06829004408888,
"volume_molar": 10.995547540225125,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -42.11704632,
"energy_per_atom": -5.26463079,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.11704632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.457000Z",
"spacegroup": 148
}
]
}