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=nsites&page=48",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=46",
"results": [
{
"id": "mp-1220318",
"created_at": "2022-09-04T14:42:55.231918Z",
"structure_string": "Nb1 H1\n1.0\n-1.606964 1.606964 -1.984301\n1.606964 -1.606964 -1.984301\n-1.606964 -1.606964 -1.984301\nNb H\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"H"
],
"chemical_system": "H-Nb",
"density": 7.608535617205704,
"density_atomic": 0.09757760580094821,
"volume": 20.496506176631,
"volume_molar": 6.171642264194066,
"formula_full": "Nb1 H1",
"formula_reduced": "NbH",
"formula_anonymous": "AB",
"energy": -13.89652201,
"energy_per_atom": -6.948261005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.71752201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.719000Z",
"spacegroup": 139
},
{
"id": "mp-1061395",
"created_at": "2022-09-04T14:40:28.799630Z",
"structure_string": "Na1 O1\n1.0\n2.886530 0.000000 0.000000\n0.000000 2.886530 0.000000\n0.000000 0.000000 2.886530\nNa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.6919367590759715,
"density_atomic": 0.08315756598636595,
"volume": 24.050727991821077,
"volume_molar": 7.241843467360933,
"formula_full": "Na1 O1",
"formula_reduced": "NaO",
"formula_anonymous": "AB",
"energy": -8.40210987,
"energy_per_atom": -4.201054935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.71510987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.687000Z",
"spacegroup": 221
},
{
"id": "mp-2744",
"created_at": "2022-09-04T14:42:52.004561Z",
"structure_string": "Li1 Pd1\n1.0\n1.399935 -2.424759 0.000000\n1.399935 2.424759 0.000000\n0.000000 0.000000 4.195430\nLi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Pd"
],
"chemical_system": "Li-Pd",
"density": 6.608910023648338,
"density_atomic": 0.07021777586002095,
"volume": 28.48281614597132,
"volume_molar": 8.576376403612,
"formula_full": "Li1 Pd1",
"formula_reduced": "LiPd",
"formula_anonymous": "AB",
"energy": -7.96421916,
"energy_per_atom": -3.98210958,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.96421916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.094000Z",
"spacegroup": 187
},
{
"id": "mp-1207075",
"created_at": "2022-09-04T14:40:28.591625Z",
"structure_string": "Tl1 O1\n1.0\n3.181277 0.000000 0.000000\n0.000000 3.181277 0.000000\n0.000000 0.000000 3.181277\nTl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 11.366379184170077,
"density_atomic": 0.06211915490849418,
"volume": 32.1961881636371,
"volume_molar": 9.694498852843427,
"formula_full": "Tl1 O1",
"formula_reduced": "TlO",
"formula_anonymous": "AB",
"energy": -8.18366064,
"energy_per_atom": -4.09183032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.49666064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.591000Z",
"spacegroup": 221
},
{
"id": "mp-437",
"created_at": "2022-09-04T14:46:16.317314Z",
"structure_string": "Mg1 Au1\n1.0\n3.305237 0.000000 0.000000\n0.000000 3.305237 0.000000\n0.000000 0.000000 3.305237\nMg Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 10.175760941309065,
"density_atomic": 0.05538882833144307,
"volume": 36.108364452703945,
"volume_molar": 10.872482667378176,
"formula_full": "Mg1 Au1",
"formula_reduced": "MgAu",
"formula_anonymous": "AB",
"energy": -6.08833195,
"energy_per_atom": -3.044165975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.08833195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.704000Z",
"spacegroup": 221
},
{
"id": "mp-7591",
"created_at": "2022-09-04T14:47:59.442481Z",
"structure_string": "Ge1 As1\n1.0\n-1.866595 1.866595 3.029037\n1.866595 -1.866595 3.029037\n1.866595 1.866595 -3.029037\nGe As\n1 1\ndirect\n0.998054 0.998054 0.000000 Ge\n0.415946 0.415946 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"As"
],
"chemical_system": "As-Ge",
"density": 5.804404726809452,
"density_atomic": 0.04737674612492078,
"volume": 42.214802906187224,
"volume_molar": 12.711174262835828,
"formula_full": "Ge1 As1",
"formula_reduced": "GeAs",
"formula_anonymous": "AB",
"energy": -9.15737074,
"energy_per_atom": -4.57868537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.15737074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.501000Z",
"spacegroup": 107
},
{
"id": "mp-1008924",
"created_at": "2022-09-04T14:46:16.694232Z",
"structure_string": "Dy1 Sb1\n1.0\n3.803518 0.000000 0.000000\n0.000000 3.803518 0.000000\n0.000000 0.000000 3.803518\nDy Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Sb"
],
"chemical_system": "Dy-Sb",
"density": 8.578442044326634,
"density_atomic": 0.03634741821592201,
"volume": 55.02454089363351,
"volume_molar": 16.56827652579186,
"formula_full": "Dy1 Sb1",
"formula_reduced": "DySb",
"formula_anonymous": "AB",
"energy": -10.49271263,
"energy_per_atom": -5.246356315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.30071263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.726000Z",
"spacegroup": 221
},
{
"id": "mp-2090",
"created_at": "2022-09-04T14:43:05.564496Z",
"structure_string": "Fe1 Co1\n1.0\n2.843446 0.000000 0.000000\n0.000000 2.843446 0.000000\n0.000000 0.000000 2.843446\nFe Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.290362741274125,
"density_atomic": 0.08699514990049374,
"volume": 22.989787388005283,
"volume_molar": 6.922386784652027,
"formula_full": "Fe1 Co1",
"formula_reduced": "FeCo",
"formula_anonymous": "AB",
"energy": -15.71418618,
"energy_per_atom": -7.85709309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.71418618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4792815,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.281000Z",
"spacegroup": 221
},
{
"id": "mp-21075",
"created_at": "2022-09-04T14:46:16.744152Z",
"structure_string": "Hf1 C1\n1.0\n0.000000 2.325656 2.325656\n2.325656 0.000000 2.325656\n2.325656 2.325656 0.000000\nHf C\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"C"
],
"chemical_system": "C-Hf",
"density": 12.57416771071356,
"density_atomic": 0.07949934873723027,
"volume": 25.157438793751798,
"volume_molar": 7.575081878852897,
"formula_full": "Hf1 C1",
"formula_reduced": "HfC",
"formula_anonymous": "AB",
"energy": -21.06360483,
"energy_per_atom": -10.531802415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.06360483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.627000Z",
"spacegroup": 225
},
{
"id": "mp-1232235",
"created_at": "2022-09-04T14:46:19.791228Z",
"structure_string": "Pm1 S1\n1.0\n0.000000 2.851466 2.851466\n2.851466 0.000000 2.851466\n2.851466 2.851466 0.000000\nPm S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"S"
],
"chemical_system": "Pm-S",
"density": 6.340846398149425,
"density_atomic": 0.04313158394983868,
"volume": 46.369732266868915,
"volume_molar": 13.962252735729926,
"formula_full": "Pm1 S1",
"formula_reduced": "PmS",
"formula_anonymous": "AB",
"energy": -13.45541204,
"energy_per_atom": -6.72770602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95241204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.387000Z",
"spacegroup": 225
},
{
"id": "mp-2637",
"created_at": "2022-09-04T14:48:06.010356Z",
"structure_string": "Y1 Se1\n1.0\n0.000000 2.891207 2.891207\n2.891207 0.000000 2.891207\n2.891207 2.891207 0.000000\nY Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Se"
],
"chemical_system": "Se-Y",
"density": 5.766919585016414,
"density_atomic": 0.041377327794272986,
"volume": 48.3356491734785,
"volume_molar": 14.55420415243326,
"formula_full": "Y1 Se1",
"formula_reduced": "YSe",
"formula_anonymous": "AB",
"energy": -13.95511056,
"energy_per_atom": -6.97755528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.48311056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.642000Z",
"spacegroup": 225
},
{
"id": "mp-807",
"created_at": "2022-09-04T14:43:11.585325Z",
"structure_string": "Np1 Te1\n1.0\n0.000000 3.110114 3.110114\n3.110114 0.000000 3.110114\n3.110114 3.110114 0.000000\nNp Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"Te"
],
"chemical_system": "Np-Te",
"density": 10.062521967509307,
"density_atomic": 0.033240769999931176,
"volume": 60.167077958908315,
"volume_molar": 18.11673062932197,
"formula_full": "Np1 Te1",
"formula_reduced": "NpTe",
"formula_anonymous": "AB",
"energy": -17.67296795,
"energy_per_atom": -8.836483975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.25096795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.61667,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.712000Z",
"spacegroup": 225
}
]
}