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=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=56",
"results": [
{
"id": "mp-1095086",
"created_at": "2022-09-04T14:40:20.924558Z",
"structure_string": "Ta8\n1.0\n2.499592 -4.329421 0.000000\n2.499592 4.329421 0.000000\n0.000000 0.000000 8.617530\nTa\n8\ndirect\n0.000000 0.324161 0.000000 Ta\n0.324161 0.000000 0.000000 Ta\n0.675839 0.675839 0.000000 Ta\n0.000000 0.675839 0.500000 Ta\n0.675839 0.000000 0.500000 Ta\n0.324161 0.324161 0.500000 Ta\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 12.887860858494893,
"density_atomic": 0.042892192056614264,
"volume": 186.51413267572428,
"volume_molar": 14.04017950878159,
"formula_full": "Ta8",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -84.22770651,
"energy_per_atom": -10.52846331375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.22770651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.367000Z",
"spacegroup": 182
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-571249",
"created_at": "2022-09-04T14:41:17.143612Z",
"structure_string": "Tb6\n1.0\n1.788050 -3.096993 0.000000\n1.788050 3.096993 0.000000\n0.000000 0.000000 17.367122\nTb\n6\ndirect\n0.666667 0.333333 0.916738 Tb\n0.000000 0.000000 0.250000 Tb\n0.666667 0.333333 0.583262 Tb\n0.333333 0.666667 0.416738 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.083262 Tb\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.232197685297638,
"density_atomic": 0.03119417590846317,
"volume": 192.3435970101125,
"volume_molar": 19.30533692466021,
"formula_full": "Tb6",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -27.724118149999995,
"energy_per_atom": -4.620686358333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.724118149999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7229571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.503000Z",
"spacegroup": 194
},
{
"id": "mp-18",
"created_at": "2022-09-04T14:44:18.480501Z",
"structure_string": "Tb2\n1.0\n1.820192 -3.152665 0.000000\n1.820192 3.152665 0.000000\n0.000000 0.000000 5.663585\nTb\n2\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.119996172618224,
"density_atomic": 0.03076901195376755,
"volume": 65.00046225095335,
"volume_molar": 19.572096657015376,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -9.23090965,
"energy_per_atom": -4.615454825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.23090965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.991000Z",
"spacegroup": 194
},
{
"id": "mp-11698",
"created_at": "2022-09-04T14:43:21.295787Z",
"structure_string": "Tb3\n1.0\n8.716770 -1.791541 0.000000\n8.716770 1.791541 0.000000\n8.348557 0.000000 3.081117\nTb\n3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.777736 0.777736 0.777736 Tb\n0.222264 0.222264 0.222264 Tb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.227028549557538,
"density_atomic": 0.031174588559405778,
"volume": 96.23222434141351,
"volume_molar": 19.31746668772968,
"formula_full": "Tb3",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -13.9030983,
"energy_per_atom": -4.6343661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.9030983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0155498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.248000Z",
"spacegroup": 166
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-113",
"created_at": "2022-09-04T14:40:26.996512Z",
"structure_string": "Tc2\n1.0\n1.380358 -2.390851 0.000000\n1.380358 2.390851 0.000000\n0.000000 0.000000 4.421340\nTc\n2\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.152622748727236,
"density_atomic": 0.06853333067267706,
"volume": 29.182880510393204,
"volume_molar": 8.787170710792426,
"formula_full": "Tc2",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -20.72123982,
"energy_per_atom": -10.36061991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.72123982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.179000Z",
"spacegroup": 194
},
{
"id": "mp-867351",
"created_at": "2022-09-04T14:40:12.235436Z",
"structure_string": "Tc4\n1.0\n1.382245 -2.394118 0.000000\n1.382245 2.394118 0.000000\n0.000000 0.000000 8.828138\nTc\n4\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.250000 Tc\n0.000000 0.000000 0.500000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.140520341455279,
"density_atomic": 0.06845896087660382,
"volume": 58.42916615707819,
"volume_molar": 8.79671657718383,
"formula_full": "Tc4",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -41.42936174,
"energy_per_atom": -10.357340435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.42936174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.793000Z",
"spacegroup": 194
},
{
"id": "mp-8638",
"created_at": "2022-09-04T14:40:30.936168Z",
"structure_string": "Tc1\n1.0\n0.000000 1.942519 1.942519\n1.942519 0.000000 1.942519\n1.942519 1.942519 0.000000\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.100674069024633,
"density_atomic": 0.06821410387515324,
"volume": 14.659724942369971,
"volume_molar": 8.828292710583487,
"formula_full": "Tc1",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -10.29376611,
"energy_per_atom": -10.29376611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.29376611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58Z",
"spacegroup": 225
},
{
"id": "mp-105",
"created_at": "2022-09-04T14:45:22.109555Z",
"structure_string": "Te4\n1.0\n3.196941 0.000000 0.000000\n0.000000 4.428183 0.000000\n0.000000 0.000000 9.268765\nTe\n4\ndirect\n0.500000 0.525868 0.750000 Te\n0.500000 0.474132 0.250000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.459184802981083,
"density_atomic": 0.030484420134676577,
"volume": 131.21456738650338,
"volume_molar": 19.754814864100716,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.38496355,
"energy_per_atom": -3.0962408875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38496355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.670000Z",
"spacegroup": 51
},
{
"id": "mp-19",
"created_at": "2022-09-04T14:39:15.342777Z",
"structure_string": "Te3\n1.0\n2.256187 -3.907831 0.000000\n2.256187 3.907831 0.000000\n0.000000 0.000000 5.959899\nTe\n3\ndirect\n0.268950 0.000000 0.333333 Te\n0.000000 0.268950 0.666667 Te\n0.731050 0.731050 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0484105835889945,
"density_atomic": 0.028545752289368467,
"volume": 105.09444521163715,
"volume_molar": 21.09645140528623,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42990279,
"energy_per_atom": -3.14330093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42990279,
"band_gap": 0.5129000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.257000Z",
"spacegroup": 152
},
{
"id": "mp-1064307",
"created_at": "2022-09-04T14:42:21.845053Z",
"structure_string": "Te4\n1.0\n3.107127 0.000000 0.000000\n0.000000 5.247562 0.000000\n0.000000 0.000000 8.299455\nTe\n4\ndirect\n0.237769 0.795716 0.109852 Te\n0.762231 0.704284 0.609852 Te\n0.237769 0.204284 0.890148 Te\n0.762231 0.295716 0.390148 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.263161426196037,
"density_atomic": 0.029559278780712617,
"volume": 135.32129892864617,
"volume_molar": 20.37309774935861,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.08209739,
"energy_per_atom": -3.0205243475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.08209739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.531000Z",
"spacegroup": 18
}
]
}