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=-energy_per_atom&page=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12166",
"results": [
{
"id": "mp-1185588",
"created_at": "2022-09-04T14:46:42.518677Z",
"structure_string": "Gd6 Ag2\n1.0\n3.462472 -5.997177 0.000000\n3.462472 5.997177 0.000000\n0.000000 0.000000 5.450942\nGd Ag\n6 2\ndirect\n0.172659 0.345318 0.250000 Gd\n0.654682 0.827341 0.250000 Gd\n0.172659 0.827341 0.250000 Gd\n0.827341 0.654682 0.750000 Gd\n0.345318 0.172659 0.750000 Gd\n0.827341 0.172659 0.750000 Gd\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Ag"
],
"chemical_system": "Ag-Gd",
"density": 8.503278698567916,
"density_atomic": 0.03533908442625299,
"volume": 226.37824748104947,
"volume_molar": 17.04102089166244,
"formula_full": "Gd6 Ag2",
"formula_reduced": "Gd3Ag",
"formula_anonymous": "AB3",
"energy": -90.34558811,
"energy_per_atom": -11.29319851375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.34558811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.6626576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.437000Z",
"spacegroup": 194
},
{
"id": "mp-673681",
"created_at": "2022-09-04T14:42:46.909205Z",
"structure_string": "Ta22 O4\n1.0\n9.522037 -0.591124 9.664293\n4.499978 4.622584 3.812019\n0.062466 -1.070539 9.705492\nTa O\n22 4\ndirect\n0.977874 0.292586 0.374114 Ta\n0.213817 0.230391 0.365265 Ta\n0.199319 0.742624 0.195044 Ta\n0.202161 0.237737 0.689116 Ta\n0.452497 0.261386 0.270593 Ta\n0.457508 0.744390 0.781329 Ta\n0.955101 0.740189 0.943814 Ta\n0.707573 0.241012 0.848337 Ta\n0.740997 0.708409 0.658416 Ta\n0.201676 0.758490 0.519775 Ta\n0.435145 0.217169 0.646614 Ta\n0.653216 0.310930 0.229839 Ta\n0.697311 0.749801 0.035593 Ta\n0.256161 0.723230 0.797333 Ta\n0.962034 0.245542 0.097163 Ta\n0.442551 0.245341 0.945644 Ta\n0.681773 0.768919 0.363527 Ta\n0.704040 0.248580 0.517757 Ta\n0.449840 0.760655 0.090713 Ta\n0.963346 0.747736 0.255052 Ta\n0.941738 0.252735 0.787644 Ta\n0.952373 0.712343 0.621821 Ta\n0.955230 0.996700 0.021908 O\n0.423960 0.021957 0.881462 O\n0.452767 0.517810 0.513468 O\n0.955729 0.015238 0.513599 O\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 15.182657699249075,
"density_atomic": 0.05877187244970057,
"volume": 442.3884915739564,
"volume_molar": 10.246637564855535,
"formula_full": "Ta22 O4",
"formula_reduced": "Ta11O2",
"formula_anonymous": "A2B11",
"energy": -293.6902262,
"energy_per_atom": -11.29577793076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.9422262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.331000Z",
"spacegroup": 1
},
{
"id": "mp-1224571",
"created_at": "2022-09-04T14:42:15.583989Z",
"structure_string": "Gd1 Th1 N2\n1.0\n5.959852 -1.804566 0.000000\n5.959852 1.804566 0.000000\n5.413453 0.000000 3.077470\nGd Th N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Th\n0.249809 0.249809 0.249809 N\n0.750191 0.750191 0.750191 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Th",
"N"
],
"chemical_system": "Gd-N-Th",
"density": 10.46807757384148,
"density_atomic": 0.06042656707509056,
"volume": 66.1960490826709,
"volume_molar": 9.966048133292826,
"formula_full": "Gd1 Th1 N2",
"formula_reduced": "GdThN2",
"formula_anonymous": "ABC2",
"energy": -45.19689324,
"energy_per_atom": -11.29922331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.47489324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9680929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.323000Z",
"spacegroup": 166
},
{
"id": "mp-11452",
"created_at": "2022-09-04T14:42:37.906951Z",
"structure_string": "Hf1 Os1\n1.0\n3.258835 0.000000 0.000000\n0.000000 3.258835 0.000000\n0.000000 0.000000 3.258835\nHf Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 17.691256391406036,
"density_atomic": 0.057788693993878544,
"volume": 34.60884581007933,
"volume_molar": 10.420967050471697,
"formula_full": "Hf1 Os1",
"formula_reduced": "HfOs",
"formula_anonymous": "AB",
"energy": -22.60216114,
"energy_per_atom": -11.30108057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.60216114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.119000Z",
"spacegroup": 221
},
{
"id": "mp-1207153",
"created_at": "2022-09-04T14:44:56.780627Z",
"structure_string": "Gd3 Ga1 C1\n1.0\n4.914387 0.000000 0.000000\n0.000000 4.914387 0.000000\n0.000000 0.000000 4.914387\nGd Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Ga",
"C"
],
"chemical_system": "C-Ga-Gd",
"density": 7.743652802578916,
"density_atomic": 0.04212713688751288,
"volume": 118.68834127870853,
"volume_molar": 14.295157955026022,
"formula_full": "Gd3 Ga1 C1",
"formula_reduced": "Gd3GaC",
"formula_anonymous": "ABC3",
"energy": -56.50915491,
"energy_per_atom": -11.301830982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.50915491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.2215555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.154000Z",
"spacegroup": 221
},
{
"id": "mp-1070662",
"created_at": "2022-09-04T14:47:59.374182Z",
"structure_string": "Gd2 Bi1 O2\n1.0\n-1.970920 1.970920 6.877525\n1.970920 -1.970920 6.877525\n1.970920 1.970920 -6.877525\nGd Bi O\n2 1 2\ndirect\n0.667116 0.667116 0.000000 Gd\n0.332884 0.332884 0.000000 Gd\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Gd-O",
"density": 8.63150917813571,
"density_atomic": 0.04678857755603485,
"volume": 106.86368898502865,
"volume_molar": 12.870963544014081,
"formula_full": "Gd2 Bi1 O2",
"formula_reduced": "Gd2BiO2",
"formula_anonymous": "AB2C2",
"energy": -56.51133636,
"energy_per_atom": -11.302267272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.13733635999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9108291,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.696000Z",
"spacegroup": 139
},
{
"id": "mp-1009493",
"created_at": "2022-09-04T14:42:40.861599Z",
"structure_string": "Np1 N1\n1.0\n2.994717 0.000000 0.000000\n0.000000 2.994717 0.000000\n0.000000 0.000000 2.994717\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 15.519118441870344,
"density_atomic": 0.07446678973935937,
"volume": 26.857610043352,
"volume_molar": 8.087015407912773,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy": -22.60468652,
"energy_per_atom": -11.30234326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24368652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.795192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.828000Z",
"spacegroup": 221
},
{
"id": "mp-11428",
"created_at": "2022-09-04T14:42:12.269295Z",
"structure_string": "Gd4 Pt4\n1.0\n4.519250 0.000000 0.000000\n0.000000 5.652379 0.000000\n0.000000 0.000000 7.203600\nGd Pt\n4 4\ndirect\n0.250000 0.141564 0.182329 Gd\n0.750000 0.858436 0.817671 Gd\n0.750000 0.641564 0.317671 Gd\n0.250000 0.358436 0.682329 Gd\n0.250000 0.655692 0.043983 Pt\n0.750000 0.344308 0.956017 Pt\n0.750000 0.155692 0.456017 Pt\n0.250000 0.844308 0.543983 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Pt"
],
"chemical_system": "Gd-Pt",
"density": 12.717929488683552,
"density_atomic": 0.043475316933974446,
"volume": 184.0124595790647,
"volume_molar": 13.851861664736726,
"formula_full": "Gd4 Pt4",
"formula_reduced": "GdPt",
"formula_anonymous": "AB",
"energy": -90.42525528,
"energy_per_atom": -11.30315691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.42525528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.49001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.277000Z",
"spacegroup": 62
},
{
"id": "mp-1865",
"created_at": "2022-09-04T14:44:20.596227Z",
"structure_string": "U1 N1\n1.0\n0.000000 2.436359 2.436359\n2.436359 0.000000 2.436359\n2.436359 2.436359 0.000000\nU N\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 14.469621169098867,
"density_atomic": 0.06914744742165775,
"volume": 28.92369963860123,
"volume_molar": 8.709129526180886,
"formula_full": "U1 N1",
"formula_reduced": "UN",
"formula_anonymous": "AB",
"energy": -22.60801748,
"energy_per_atom": -11.30400874,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24701748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1262682,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.536000Z",
"spacegroup": 225
},
{
"id": "mp-1188068",
"created_at": "2022-09-04T14:40:13.871793Z",
"structure_string": "Zr1 Np3\n1.0\n-2.166668 2.166668 4.669243\n2.166668 -2.166668 4.669243\n2.166668 2.166668 -4.669243\nZr Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Np"
],
"chemical_system": "Np-Zr",
"density": 15.193349979721157,
"density_atomic": 0.045621418569099494,
"volume": 87.67811535587143,
"volume_molar": 13.20024880611438,
"formula_full": "Zr1 Np3",
"formula_reduced": "ZrNp3",
"formula_anonymous": "AB3",
"energy": -45.22192081,
"energy_per_atom": -11.3054802025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22192081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.6255661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.692000Z",
"spacegroup": 139
},
{
"id": "mp-864761",
"created_at": "2022-09-04T14:42:51.906693Z",
"structure_string": "Ta2 Mn1 Os1\n1.0\n0.000000 3.139209 3.139209\n3.139209 0.000000 3.139209\n3.139209 3.139209 0.000000\nTa Mn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Os"
],
"chemical_system": "Mn-Os-Ta",
"density": 16.292688302768067,
"density_atomic": 0.06465011522271989,
"volume": 61.871506125240224,
"volume_molar": 9.314972972984972,
"formula_full": "Ta2 Mn1 Os1",
"formula_reduced": "Ta2MnOs",
"formula_anonymous": "ABC2",
"energy": -45.22455134,
"energy_per_atom": -11.306137835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22455134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5102988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.539000Z",
"spacegroup": 225
},
{
"id": "mp-5575",
"created_at": "2022-09-04T14:41:50.717336Z",
"structure_string": "Gd2 Ta2 O8\n1.0\n5.604326 3.553150 0.000000\n-5.604326 3.553150 0.000000\n0.000000 3.320851 3.908929\nGd Ta O\n2 2 8\ndirect\n0.631791 0.368209 0.750000 Gd\n0.368209 0.631791 0.250000 Gd\n0.100271 0.899729 0.750000 Ta\n0.899729 0.100271 0.250000 Ta\n0.790986 0.727576 0.208126 O\n0.272424 0.209014 0.291874 O\n0.209014 0.272424 0.791874 O\n0.727576 0.790986 0.708126 O\n0.362299 0.946715 0.840417 O\n0.053285 0.637701 0.659583 O\n0.637701 0.053285 0.159583 O\n0.946715 0.362299 0.340417 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Ta",
"O"
],
"chemical_system": "Gd-O-Ta",
"density": 8.58008457529823,
"density_atomic": 0.07708263215142094,
"volume": 155.6770917789526,
"volume_molar": 7.812577998335761,
"formula_full": "Gd2 Ta2 O8",
"formula_reduced": "GdTaO4",
"formula_anonymous": "ABC4",
"energy": -135.71643967,
"energy_per_atom": -11.309703305833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.22043967,
"band_gap": 0.2627000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.678000Z",
"spacegroup": 15
}
]
}