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=nelements&page=84",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=82",
"results": [
{
"id": "mp-1186142",
"created_at": "2022-09-04T14:40:20.953692Z",
"structure_string": "Na1 Hg3\n1.0\n0.000000 3.740925 3.740925\n3.740925 0.000000 3.740925\n3.740925 3.740925 0.000000\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.9082088819418,
"density_atomic": 0.03820260619912875,
"volume": 104.7048983818079,
"volume_molar": 15.763690907918585,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -2.98010689,
"energy_per_atom": -0.7450267225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.98010689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.798000Z",
"spacegroup": 225
},
{
"id": "mp-1178239",
"created_at": "2022-09-04T14:40:14.427893Z",
"structure_string": "Fe4 O4\n1.0\n2.952129 1.714305 0.000000\n-2.952129 1.714305 0.000000\n0.000000 0.055159 10.535723\nFe O\n4 4\ndirect\n0.336860 0.673156 0.025742 Fe\n0.990840 0.979406 0.773333 Fe\n0.979406 0.990840 0.273333 Fe\n0.673156 0.336860 0.525742 Fe\n0.333548 0.664048 0.225189 O\n0.006841 0.015099 0.475736 O\n0.015099 0.006841 0.975736 O\n0.664048 0.333548 0.725189 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.47490941712844,
"density_atomic": 0.07501916477139446,
"volume": 106.63941706600389,
"volume_molar": 8.02746975169777,
"formula_full": "Fe4 O4",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -63.12354607,
"energy_per_atom": -7.89044325875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.35154607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.113327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.121000Z",
"spacegroup": 9
},
{
"id": "mp-1014316",
"created_at": "2022-09-04T14:40:17.145556Z",
"structure_string": "C3 N1\n1.0\n3.112694 0.000000 0.000000\n0.000000 3.112694 0.000000\n0.000000 0.000000 3.112694\nC N\n3 1\ndirect\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.755159196658795,
"density_atomic": 0.13263272903604093,
"volume": 30.158468645495947,
"volume_molar": 4.540463582230578,
"formula_full": "C3 N1",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy": -18.40675577,
"energy_per_atom": -4.6016889425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.04575577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.139000Z",
"spacegroup": 221
},
{
"id": "mp-849537",
"created_at": "2022-09-04T14:40:14.398289Z",
"structure_string": "V12 O22\n1.0\n2.885819 -5.107807 0.000000\n2.885819 5.107807 0.000000\n0.000000 0.000000 13.401203\nV O\n12 22\ndirect\n0.999354 0.000646 0.648787 V\n0.999354 0.000646 0.851213 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.669264 0.330736 0.250000 V\n0.330736 0.669264 0.750000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000646 0.999354 0.351213 V\n0.000646 0.999354 0.148787 V\n0.156322 0.301502 0.750000 O\n0.840154 0.159846 0.250000 O\n0.171841 0.342455 0.426174 O\n0.171841 0.342455 0.073826 O\n0.824654 0.175346 0.574459 O\n0.824654 0.175346 0.925541 O\n0.698498 0.843678 0.750000 O\n0.657545 0.828159 0.426174 O\n0.333447 0.666553 0.913696 O\n0.333447 0.666553 0.586304 O\n0.657545 0.828159 0.073826 O\n0.342455 0.171841 0.573826 O\n0.666553 0.333447 0.086304 O\n0.666553 0.333447 0.413696 O\n0.342455 0.171841 0.926174 O\n0.301502 0.156322 0.250000 O\n0.175346 0.824654 0.425541 O\n0.175346 0.824654 0.074459 O\n0.828159 0.657545 0.573826 O\n0.828159 0.657545 0.926174 O\n0.159846 0.840154 0.750000 O\n0.843678 0.698498 0.250000 O\n",
"nsites": 34,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.048801227514153,
"density_atomic": 0.0860600448519919,
"volume": 395.0729988402168,
"volume_molar": 6.997603557326771,
"formula_full": "V12 O22",
"formula_reduced": "V6O11",
"formula_anonymous": "A6B11",
"energy": -301.22939864,
"energy_per_atom": -8.859688195294117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.71539864,
"band_gap": 0.2139000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.827000Z",
"spacegroup": 63
},
{
"id": "mp-570782",
"created_at": "2022-09-04T14:40:03.427438Z",
"structure_string": "Mg2 Cl4\n1.0\n6.791105 0.000000 0.000000\n1.549056 6.911705 0.000000\n2.901635 2.451230 6.028378\nMg Cl\n2 4\ndirect\n0.499144 0.866020 0.863645 Mg\n0.500856 0.133980 0.136355 Mg\n0.779917 0.983945 0.897944 Cl\n0.220083 0.016055 0.102056 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.1174808886268646,
"density_atomic": 0.021204358352227608,
"volume": 282.96069611413986,
"volume_molar": 28.400485692448925,
"formula_full": "Mg2 Cl4",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy": -23.45683168,
"energy_per_atom": -3.9094719466666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.00083168,
"band_gap": 5.1512,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.298000Z",
"spacegroup": 2
},
{
"id": "mp-1074788",
"created_at": "2022-09-04T14:40:14.404941Z",
"structure_string": "Mg14 Si8\n1.0\n-5.453032 0.000000 0.000000\n-0.004426 -6.206953 0.000000\n1.390218 3.018789 13.146064\nMg Si\n14 8\ndirect\n0.009694 0.722847 0.809600 Mg\n0.181046 0.201022 0.756976 Mg\n0.745583 0.902405 0.608789 Mg\n0.568382 0.412362 0.654389 Mg\n0.008576 0.351130 0.987298 Mg\n0.719029 0.758843 0.380334 Mg\n0.238059 0.699307 0.237907 Mg\n0.734910 0.270253 0.435573 Mg\n0.503499 0.557258 0.918349 Mg\n0.481235 0.084472 0.969547 Mg\n0.023138 0.876495 0.045754 Mg\n0.364214 0.203142 0.234294 Mg\n0.246075 0.526767 0.435238 Mg\n0.249366 0.040472 0.475775 Mg\n0.548725 0.833559 0.113851 Si\n0.509487 0.820538 0.782105 Si\n0.705688 0.177059 0.803282 Si\n0.897675 0.390205 0.256836 Si\n0.609552 0.453031 0.118288 Si\n0.240085 0.794184 0.625873 Si\n0.046624 0.433466 0.605716 Si\n0.869458 0.002282 0.247926 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.108385107745016,
"density_atomic": 0.0494436399758836,
"volume": 444.95105964549975,
"volume_molar": 12.179808693165251,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.70984661,
"energy_per_atom": -2.9413566640909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.27784661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.099000Z",
"spacegroup": 1
},
{
"id": "mp-1223904",
"created_at": "2022-09-04T14:40:19.990438Z",
"structure_string": "Ho2 O3\n1.0\n3.765265 0.000000 0.000000\n0.000000 3.765265 0.000000\n0.000000 0.000000 5.523156\nHo O\n2 3\ndirect\n0.500000 0.000000 0.789127 Ho\n0.000000 0.500000 0.210873 Ho\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ho",
"O"
],
"chemical_system": "Ho-O",
"density": 8.013094783542625,
"density_atomic": 0.06385451340293066,
"volume": 78.30300057960383,
"volume_molar": 9.43103382841472,
"formula_full": "Ho2 O3",
"formula_reduced": "Ho2O3",
"formula_anonymous": "A2B3",
"energy": -42.86214504,
"energy_per_atom": -8.572429008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.80114504,
"band_gap": 1.517,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.608000Z",
"spacegroup": 115
},
{
"id": "mp-1221484",
"created_at": "2022-09-04T14:40:14.372767Z",
"structure_string": "Mo2 Rh1\n1.0\n0.000000 1.973752 6.208803\n1.875332 0.000000 6.208803\n1.875332 1.973752 0.000000\nMo Rh\n2 1\ndirect\n0.340579 0.340579 0.659421 Mo\n0.659421 0.659421 0.340579 Mo\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Rh"
],
"chemical_system": "Mo-Rh",
"density": 10.64992603627378,
"density_atomic": 0.06526985251600914,
"volume": 45.963027099903,
"volume_molar": 9.226527298377016,
"formula_full": "Mo2 Rh1",
"formula_reduced": "Mo2Rh",
"formula_anonymous": "AB2",
"energy": -29.223641710000003,
"energy_per_atom": -9.741213903333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.223641710000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.583000Z",
"spacegroup": 69
},
{
"id": "mp-1218044",
"created_at": "2022-09-04T14:40:08.641203Z",
"structure_string": "Ta6 Ru4\n1.0\n3.222758 0.000000 0.000000\n0.000000 3.222758 0.000000\n0.000000 0.000000 15.913548\nTa Ru\n6 4\ndirect\n0.000000 0.000000 0.896817 Ta\n0.000000 0.000000 0.103183 Ta\n0.000000 0.000000 0.303829 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.696171 Ta\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.207955 Ru\n0.500000 0.500000 0.400569 Ru\n0.500000 0.500000 0.599431 Ru\n0.500000 0.500000 0.792045 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 14.969366450603264,
"density_atomic": 0.06050309499729922,
"volume": 165.28080093169427,
"volume_molar": 9.953442481362021,
"formula_full": "Ta6 Ru4",
"formula_reduced": "Ta3Ru2",
"formula_anonymous": "A2B3",
"energy": -111.08268455,
"energy_per_atom": -11.108268455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.08268455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.985000Z",
"spacegroup": 123
},
{
"id": "mp-1183676",
"created_at": "2022-09-04T14:40:14.558686Z",
"structure_string": "Cd2 In6\n1.0\n3.252422 -5.633360 0.000000\n3.252422 5.633360 0.000000\n0.000000 0.000000 5.911162\nCd In\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.168281 0.336562 0.250000 In\n0.663438 0.831719 0.250000 In\n0.168281 0.831719 0.250000 In\n0.831719 0.663438 0.750000 In\n0.336562 0.168281 0.750000 In\n0.831719 0.168281 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"In"
],
"chemical_system": "Cd-In",
"density": 7.004703041086342,
"density_atomic": 0.0369328424895754,
"volume": 216.60937693214558,
"volume_molar": 16.305651972765972,
"formula_full": "Cd2 In6",
"formula_reduced": "CdIn3",
"formula_anonymous": "AB3",
"energy": -17.95792081,
"energy_per_atom": -2.24474010125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.95792081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.038000Z",
"spacegroup": 194
},
{
"id": "mp-27871",
"created_at": "2022-09-04T14:40:14.314706Z",
"structure_string": "Rh2 Br6\n1.0\n5.576153 3.219124 0.000000\n-5.576153 3.219124 0.000000\n0.000000 2.133430 6.661815\nRh Br\n2 6\ndirect\n0.166663 0.833337 0.000000 Rh\n0.833337 0.166663 0.000000 Rh\n0.430194 0.075653 0.210986 Br\n0.924347 0.569806 0.789014 Br\n0.215650 0.215650 0.788582 Br\n0.784350 0.784350 0.211418 Br\n0.075653 0.430194 0.210986 Br\n0.569806 0.924347 0.789014 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rh",
"Br"
],
"chemical_system": "Br-Rh",
"density": 4.757663080540303,
"density_atomic": 0.03344991632893265,
"volume": 239.16352798408542,
"volume_molar": 18.00345537722952,
"formula_full": "Rh2 Br6",
"formula_reduced": "RhBr3",
"formula_anonymous": "AB3",
"energy": -31.3166652,
"energy_per_atom": -3.91458315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.1126652,
"band_gap": 1.0488,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.735000Z",
"spacegroup": 12
},
{
"id": "mp-1094620",
"created_at": "2022-09-04T14:40:21.153055Z",
"structure_string": "Mg3 Ga3\n1.0\n1.532175 -2.653804 0.000000\n1.532175 2.653804 0.000000\n0.000000 0.000000 15.001724\nMg Ga\n3 3\ndirect\n0.000000 0.000000 0.839519 Mg\n0.333333 0.666667 0.660963 Mg\n0.000000 0.000000 0.165273 Mg\n0.333333 0.666667 0.000970 Ga\n0.000000 0.000000 0.498104 Ga\n0.333333 0.666667 0.335171 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.8395397480929723,
"density_atomic": 0.049181624249418,
"volume": 121.99678419671149,
"volume_molar": 12.244696778332333,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -14.06019249,
"energy_per_atom": -2.343365415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.06019249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0134678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.498000Z",
"spacegroup": 156
}
]
}