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=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12163",
"results": [
{
"id": "mp-1056702",
"created_at": "2022-09-04T14:44:07.550735Z",
"structure_string": "Mg1\n1.0\n0.000000 2.252800 2.252800\n2.252800 0.000000 2.252800\n2.252800 2.252800 0.000000\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.765008555285139,
"density_atomic": 0.04373227717014831,
"volume": 22.866405883904,
"volume_molar": 13.770471490816211,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.60028005,
"energy_per_atom": -1.60028005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.60028005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.591000Z",
"spacegroup": 225
},
{
"id": "mp-1247180",
"created_at": "2022-09-04T14:43:24.987593Z",
"structure_string": "Mg10\n1.0\n3.421369 -0.013175 0.000664\n-0.013772 5.102642 -0.012034\n0.001858 -0.033979 14.595693\nMg\n10\ndirect\n0.518609 0.010102 0.168218 Mg\n0.018543 0.989977 0.331772 Mg\n0.018592 0.990607 0.668250 Mg\n0.518583 0.009373 0.831729 Mg\n0.018722 0.509226 0.850146 Mg\n0.518430 0.490758 0.649919 Mg\n0.518377 0.490287 0.350614 Mg\n0.518347 0.979160 0.500073 Mg\n0.018698 0.020733 0.999915 Mg\n0.018811 0.509792 0.149372 Mg\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5839150862266336,
"density_atomic": 0.039245256549848374,
"volume": 254.80786416310573,
"volume_molar": 15.344888247451822,
"formula_full": "Mg10",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -14.22901379,
"energy_per_atom": -1.422901379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.22901379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.732000Z",
"spacegroup": 59
},
{
"id": "mp-1056351",
"created_at": "2022-09-04T14:46:26.270611Z",
"structure_string": "Mg1\n1.0\n-1.825264 1.825264 1.700467\n1.825264 -1.825264 1.700467\n1.825264 1.825264 -1.700467\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7810050334772547,
"density_atomic": 0.04412862789374627,
"volume": 22.661026361567792,
"volume_molar": 13.646789051543191,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57155674,
"energy_per_atom": -1.57155674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57155674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.534000Z",
"spacegroup": 139
},
{
"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-973571",
"created_at": "2022-09-04T14:42:42.454829Z",
"structure_string": "Lu3\n1.0\n8.403829 -1.743540 0.000000\n8.403829 1.743540 0.000000\n8.042098 0.000000 2.998157\nLu\n3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.221927 0.221927 0.221927 Lu\n0.778073 0.778073 0.778073 Lu\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.920487371530287,
"density_atomic": 0.03414505099807595,
"volume": 87.86046329727397,
"volume_molar": 17.636935907166585,
"formula_full": "Lu3",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -13.56065146,
"energy_per_atom": -4.520217153333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.56065146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0375953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.199000Z",
"spacegroup": 166
},
{
"id": "mp-145",
"created_at": "2022-09-04T14:45:33.978925Z",
"structure_string": "Lu2\n1.0\n1.762419 -3.052599 0.000000\n1.762419 3.052599 0.000000\n0.000000 0.000000 5.470614\nLu\n2\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.871661309770055,
"density_atomic": 0.03397699792705217,
"volume": 58.86335232718187,
"volume_molar": 17.724169665988143,
"formula_full": "Lu2",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -9.04190104,
"energy_per_atom": -4.52095052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.04190104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000939,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.779000Z",
"spacegroup": 194
},
{
"id": "mp-10190",
"created_at": "2022-09-04T14:43:59.223743Z",
"structure_string": "Lu1\n1.0\n-1.954218 1.954218 1.954218\n1.954218 -1.954218 1.954218\n1.954218 1.954218 -1.954218\nLu\n1\ndirect\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.732540598338614,
"density_atomic": 0.03349816219965157,
"volume": 29.852383961840193,
"volume_molar": 17.977525823976812,
"formula_full": "Lu1",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -4.38886897,
"energy_per_atom": -4.38886897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.38886897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0740914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.859000Z",
"spacegroup": 229
},
{
"id": "mp-1063005",
"created_at": "2022-09-04T14:44:13.134269Z",
"structure_string": "Li3\n1.0\n2.452644 -4.248104 0.000000\n2.452644 4.248104 0.000000\n0.000000 0.000000 2.889208\nLi\n3\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5743199951440476,
"density_atomic": 0.04982907150605391,
"volume": 60.2058177952507,
"volume_molar": 12.085596977797087,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.671036,
"energy_per_atom": -1.8903453333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.671036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.127000Z",
"spacegroup": 191
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-1018134",
"created_at": "2022-09-04T14:41:05.374532Z",
"structure_string": "Li3\n1.0\n7.474568 -1.531883 0.000000\n7.474568 1.531883 0.000000\n7.160615 0.000000 2.634659\nLi\n3\ndirect\n0.777946 0.777946 0.777946 Li\n0.222054 0.222054 0.222054 Li\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5730945704730711,
"density_atomic": 0.04972275138125996,
"volume": 60.33455343202653,
"volume_molar": 12.111439115313496,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.7267686,
"energy_per_atom": -1.9089228666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.7267686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.064000Z",
"spacegroup": 166
}
]
}