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=12172",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12170",
"results": [
{
"id": "mp-100",
"created_at": "2022-09-04T14:46:52.894682Z",
"structure_string": "Hf1\n1.0\n-1.770814 1.770814 1.770814\n1.770814 -1.770814 1.770814\n1.770814 1.770814 -1.770814\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.343942293271844,
"density_atomic": 0.04502162519534463,
"volume": 22.21154824289646,
"volume_molar": 13.376107001625314,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.78103403,
"energy_per_atom": -9.78103403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78103403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.771000Z",
"spacegroup": 229
},
{
"id": "mp-8640",
"created_at": "2022-09-04T14:47:28.745801Z",
"structure_string": "Hf1\n1.0\n0.000000 2.240735 2.240735\n2.240735 0.000000 2.240735\n2.240735 2.240735 0.000000\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.172296499762645,
"density_atomic": 0.044442503042993506,
"volume": 22.500982877418128,
"volume_molar": 13.55040861261618,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.88478064,
"energy_per_atom": -9.88478064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.88478064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.047000Z",
"spacegroup": 225
},
{
"id": "mp-103",
"created_at": "2022-09-04T14:47:38.403325Z",
"structure_string": "Hf2\n1.0\n1.599243 -2.769970 0.000000\n1.599243 2.769970 0.000000\n0.000000 0.000000 5.075185\nHf\n2\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.183222602971489,
"density_atomic": 0.04447936703061449,
"volume": 44.964668643405595,
"volume_molar": 13.539178189867338,
"formula_full": "Hf2",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -19.9143777,
"energy_per_atom": -9.95718885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.9143777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.626000Z",
"spacegroup": 194
},
{
"id": "mp-1009460",
"created_at": "2022-09-04T14:42:17.080322Z",
"structure_string": "Hf3\n1.0\n2.501815 -4.333271 0.000000\n2.501815 4.333271 0.000000\n0.000000 0.000000 3.087349\nHf\n3\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.283039920168068,
"density_atomic": 0.0448161444045016,
"volume": 66.94016274409054,
"volume_molar": 13.437436084740705,
"formula_full": "Hf3",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -29.736056940000005,
"energy_per_atom": -9.912018980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.736056940000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.910000Z",
"spacegroup": 191
},
{
"id": "mp-754382",
"created_at": "2022-09-04T14:43:08.243224Z",
"structure_string": "He1\n1.0\n1.357717 -2.351635 0.000000\n1.357717 2.351635 0.000000\n0.000000 0.000000 2.471234\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.42118070598645746,
"density_atomic": 0.06336901589823696,
"volume": 15.780582763126384,
"volume_molar": 9.503289067437683,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00527239,
"energy_per_atom": -0.00527239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00527239,
"band_gap": 16.586399999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.614000Z",
"spacegroup": 191
},
{
"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-23158",
"created_at": "2022-09-04T14:43:57.501613Z",
"structure_string": "He1\n1.0\n-1.580307 1.580307 1.580307\n1.580307 -1.580307 1.580307\n1.580307 1.580307 -1.580307\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.4210242614550255,
"density_atomic": 0.06334547793493855,
"volume": 15.786446524676775,
"volume_molar": 9.506820307181636,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00905916,
"energy_per_atom": -0.00905916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00905916,
"band_gap": 17.6377,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.038000Z",
"spacegroup": 229
},
{
"id": "mp-614456",
"created_at": "2022-09-04T14:40:43.831991Z",
"structure_string": "He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.5256754057633166,
"density_atomic": 0.0790908336294941,
"volume": 12.643690224388857,
"volume_molar": 7.614208225710568,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00075975,
"energy_per_atom": -0.00075975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00075975,
"band_gap": 17.8914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.661000Z",
"spacegroup": 225
},
{
"id": "mp-730101",
"created_at": "2022-09-04T14:48:05.647946Z",
"structure_string": "H8\n1.0\n7.177739 0.000000 0.000000\n0.000000 7.194118 0.000000\n0.000000 0.000000 7.215497\nH\n8\ndirect\n0.365603 0.722217 0.646779 H\n0.865603 0.777783 0.353221 H\n0.634397 0.222217 0.853221 H\n0.134397 0.277783 0.146779 H\n0.644591 0.148776 0.779789 H\n0.144591 0.351224 0.220211 H\n0.355409 0.648776 0.720211 H\n0.855409 0.851224 0.279789 H\n",
"nsites": 8,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03593703935465495,
"density_atomic": 0.021471308765023817,
"volume": 372.590236000508,
"volume_molar": 28.047385587458486,
"formula_full": "H8",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -27.10739207,
"energy_per_atom": -3.38842400875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.10739207,
"band_gap": 9.7197,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.063000Z",
"spacegroup": 19
},
{
"id": "mp-754417",
"created_at": "2022-09-04T14:47:20.839352Z",
"structure_string": "H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24165290766723713,
"density_atomic": 0.14438040216067372,
"volume": 6.926147766835766,
"volume_molar": 4.171023677644464,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.01370105,
"energy_per_atom": -3.01370105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01370105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.507000Z",
"spacegroup": 191
},
{
"id": "mp-632172",
"created_at": "2022-09-04T14:42:43.457821Z",
"structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.10707314152038881,
"density_atomic": 0.0639730073292075,
"volume": 31.263185576190356,
"volume_molar": 9.413565207291,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.7841656,
"energy_per_atom": -3.3920828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7841656,
"band_gap": 9.3289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.322000Z",
"spacegroup": 139
},
{
"id": "mp-731827",
"created_at": "2022-09-04T14:41:54.087290Z",
"structure_string": "H16\n1.0\n4.372639 0.000000 0.000000\n0.000000 6.039404 0.000000\n0.000000 0.000000 9.854266\nH\n16\ndirect\n0.256709 0.535311 0.750000 H\n0.243291 0.035311 0.750000 H\n0.743291 0.464689 0.250000 H\n0.756709 0.964689 0.250000 H\n0.400902 0.602675 0.750000 H\n0.099098 0.102675 0.750000 H\n0.599098 0.397325 0.250000 H\n0.900902 0.897325 0.250000 H\n0.038430 0.444921 0.995282 H\n0.461570 0.944921 0.504718 H\n0.961570 0.555079 0.495282 H\n0.538430 0.055079 0.004718 H\n0.961570 0.555079 0.004718 H\n0.538430 0.055079 0.495282 H\n0.038430 0.444921 0.504718 H\n0.461570 0.944921 0.995282 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1029062549219012,
"density_atomic": 0.06148341691353577,
"volume": 260.23277174885754,
"volume_molar": 9.794739886478572,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -54.2248553,
"energy_per_atom": -3.38905345625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.2248553,
"band_gap": 8.1932,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.043000Z",
"spacegroup": 62
}
]
}