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=1755",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1753",
"results": [
{
"id": "mp-567441",
"created_at": "2022-09-04T14:41:23.681232Z",
"structure_string": "Hf2 I2 N2\n1.0\n12.092722 -1.855016 0.000000\n12.092722 1.855016 0.000000\n11.808164 0.000000 3.200356\nHf I N\n2 2 2\ndirect\n0.798382 0.798382 0.798382 Hf\n0.201618 0.201618 0.201618 Hf\n0.404107 0.404107 0.404107 I\n0.595893 0.595893 0.595893 I\n0.142556 0.142556 0.142556 N\n0.857444 0.857444 0.857444 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"I",
"N"
],
"chemical_system": "Hf-I-N",
"density": 7.387807664148427,
"density_atomic": 0.04178796622130429,
"volume": 143.58200560000182,
"volume_molar": 14.411184138771988,
"formula_full": "Hf2 I2 N2",
"formula_reduced": "HfIN",
"formula_anonymous": "ABC",
"energy": -49.58769952,
"energy_per_atom": -8.264616586666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.10769952,
"band_gap": 0.9778000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004883,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.498000Z",
"spacegroup": 166
},
{
"id": "mp-1181742",
"created_at": "2022-09-04T14:41:17.574622Z",
"structure_string": "Cr2 I4\n1.0\n2.050596 -3.551736 0.000000\n2.050596 3.551736 0.000000\n0.000000 0.000000 14.380499\nCr I\n2 4\ndirect\n0.666667 0.333333 0.620580 Cr\n0.333333 0.666667 0.120580 Cr\n0.000000 0.000000 0.506901 I\n0.000000 0.000000 0.006901 I\n0.333333 0.666667 0.733519 I\n0.666667 0.333333 0.233519 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"I"
],
"chemical_system": "Cr-I",
"density": 4.848406188317259,
"density_atomic": 0.028643528443277194,
"volume": 209.47139986198997,
"volume_molar": 21.024437586052468,
"formula_full": "Cr2 I4",
"formula_reduced": "CrI2",
"formula_anonymous": "AB2",
"energy": -28.60923048,
"energy_per_atom": -4.76820508,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.09323048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0256143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.442000Z",
"spacegroup": 186
},
{
"id": "mp-1224254",
"created_at": "2022-09-04T14:41:28.675835Z",
"structure_string": "Hf1 Zr1 Co2 Sb2\n1.0\n7.554851 -2.293076 0.000000\n7.554851 2.293076 0.000000\n6.858848 0.000000 3.910265\nHf Zr Co Sb\n1 1 2 2\ndirect\n0.625696 0.625696 0.625696 Hf\n0.124496 0.124496 0.124496 Zr\n0.749592 0.749592 0.749592 Co\n0.251058 0.251058 0.251058 Co\n0.998227 0.998227 0.998227 Sb\n0.500930 0.500930 0.500930 Sb\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Hf",
"Zr",
"Co",
"Sb"
],
"chemical_system": "Co-Hf-Sb-Zr",
"density": 7.735119141065522,
"density_atomic": 0.04428643399725798,
"volume": 135.4816691804875,
"volume_molar": 13.598161370077491,
"formula_full": "Hf1 Zr1 Co2 Sb2",
"formula_reduced": "HfZr(CoSb)2",
"formula_anonymous": "ABC2D2",
"energy": -40.27251616,
"energy_per_atom": -6.712086026666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.88851616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4745223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.131000Z",
"spacegroup": 160
},
{
"id": "mp-752945",
"created_at": "2022-09-04T14:41:25.156279Z",
"structure_string": "Mn1 Co1 O4\n1.0\n2.894484 0.000000 0.000000\n0.000000 4.974819 0.000000\n0.000000 1.688405 4.723274\nMn Co O\n1 1 4\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Co\n0.000000 0.239053 0.298392 O\n0.500000 0.727547 0.299539 O\n0.500000 0.272453 0.700461 O\n0.000000 0.760947 0.701608 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.342675640926687,
"density_atomic": 0.08821850075725922,
"volume": 68.01294454673986,
"volume_molar": 6.826392092709031,
"formula_full": "Mn1 Co1 O4",
"formula_reduced": "MnCoO4",
"formula_anonymous": "ABC4",
"energy": -44.57262397,
"energy_per_atom": -7.428770661666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.51862397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.902000Z",
"spacegroup": 10
},
{
"id": "mp-755596",
"created_at": "2022-09-04T14:41:25.130991Z",
"structure_string": "Ti1 Cr1 O4\n1.0\n-1.873278 1.873278 4.888235\n1.873278 -1.873278 4.888235\n1.873278 1.873278 -4.888235\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.960598 0.460598 0.500000 O\n0.797638 0.797638 0.000000 O\n0.539402 0.039402 0.500000 O\n0.202362 0.202362 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ti",
"density": 3.9655859771143875,
"density_atomic": 0.08744494668331523,
"volume": 68.61459955747013,
"volume_molar": 6.886779612101981,
"formula_full": "Ti1 Cr1 O4",
"formula_reduced": "TiCrO4",
"formula_anonymous": "ABC4",
"energy": -53.5598114,
"energy_per_atom": -8.926635233333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.8128114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.307000Z",
"spacegroup": 119
},
{
"id": "mp-1019281",
"created_at": "2022-09-04T14:41:28.822182Z",
"structure_string": "Ta2 N3 F1\n1.0\n2.709705 -4.693348 0.000000\n2.709705 4.693348 0.000000\n0.000000 0.000000 2.802030\nTa N F\n2 3 1\ndirect\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"N",
"F"
],
"chemical_system": "F-N-Ta",
"density": 9.853576291916093,
"density_atomic": 0.08418674223587747,
"volume": 71.27012924658591,
"volume_molar": 7.153312505105552,
"formula_full": "Ta2 N3 F1",
"formula_reduced": "Ta2N3F",
"formula_anonymous": "AB2C3",
"energy": -57.6899995,
"energy_per_atom": -9.614999916666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.1449995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1301919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.605000Z",
"spacegroup": 191
},
{
"id": "mp-753633",
"created_at": "2022-09-04T14:41:31.224547Z",
"structure_string": "Cr1 Ir1 O4\n1.0\n3.187776 -3.245156 0.000000\n3.187776 3.245156 0.000000\n0.000000 0.000000 3.117617\nCr Ir O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Ir\n0.804145 0.804145 0.000000 O\n0.690236 0.309765 0.500000 O\n0.195855 0.195855 0.000000 O\n0.309764 0.690236 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"O"
],
"chemical_system": "Cr-Ir-O",
"density": 7.9345203291236714,
"density_atomic": 0.09301973935670046,
"volume": 64.50243831572082,
"volume_molar": 6.474046048341469,
"formula_full": "Cr1 Ir1 O4",
"formula_reduced": "CrIrO4",
"formula_anonymous": "ABC4",
"energy": -48.59819942,
"energy_per_atom": -8.099699903333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.85119942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1193237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.240000Z",
"spacegroup": 65
},
{
"id": "mp-1185878",
"created_at": "2022-09-04T14:41:23.545714Z",
"structure_string": "Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.160804865754224,
"density_atomic": 0.0431435635739996,
"volume": 139.07057050836409,
"volume_molar": 13.958375852914553,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.15716726,
"energy_per_atom": -0.8595278766666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15716726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.930000Z",
"spacegroup": 12
},
{
"id": "mp-1018730",
"created_at": "2022-09-04T14:41:25.109208Z",
"structure_string": "In4 Cu2\n1.0\n2.345682 -4.062841 0.000000\n2.345682 4.062841 0.000000\n0.000000 0.000000 6.901902\nIn Cu\n4 2\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Cu"
],
"chemical_system": "Cu-In",
"density": 7.401481372109817,
"density_atomic": 0.04560931026198741,
"volume": 131.55208806129733,
"volume_molar": 13.2037531929508,
"formula_full": "In4 Cu2",
"formula_reduced": "In2Cu",
"formula_anonymous": "AB2",
"energy": -18.1021749,
"energy_per_atom": -3.0170291500000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.1021749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.849000Z",
"spacegroup": 194
},
{
"id": "mp-1217069",
"created_at": "2022-09-04T14:41:28.464901Z",
"structure_string": "U2 Sn2 Pd2\n1.0\n-2.554706 -4.423492 0.000248\n-2.554706 4.423492 -0.000248\n0.000000 0.000305 -5.552860\nU Sn Pd\n2 2 2\ndirect\n0.000057 0.999943 0.762581 U\n0.999943 0.000057 0.237419 U\n0.333294 0.666706 0.497654 Sn\n0.666706 0.333294 0.502346 Sn\n0.666700 0.333300 0.001706 Pd\n0.333300 0.666700 0.998294 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Sn",
"Pd"
],
"chemical_system": "Pd-Sn-U",
"density": 12.256210850225964,
"density_atomic": 0.0478077558411691,
"volume": 125.50264898301646,
"volume_molar": 12.596576965476599,
"formula_full": "U2 Sn2 Pd2",
"formula_reduced": "USnPd",
"formula_anonymous": "ABC",
"energy": -42.64876437,
"energy_per_atom": -7.108127395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.64876437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3136531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.147000Z",
"spacegroup": 191
},
{
"id": "mp-1206317",
"created_at": "2022-09-04T14:41:25.024245Z",
"structure_string": "La2 Cd1 Sb3\n1.0\n9.870107 0.000000 0.000000\n0.000000 9.870107 0.000000\n0.000000 0.000000 42.535734\nLa Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243978 La\n0.500000 0.500000 0.756022 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691877 Sb\n0.500000 0.500000 0.308123 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Cd",
"Sb"
],
"chemical_system": "Cd-La-Sb",
"density": 0.3027520052314839,
"density_atomic": 0.001447950107055701,
"volume": 4143.789189118232,
"volume_molar": 415.90802961060416,
"formula_full": "La2 Cd1 Sb3",
"formula_reduced": "La2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -12.452835370000004,
"energy_per_atom": -2.0754725616666674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.87683537,
"band_gap": 0.0675999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2965305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.507000Z",
"spacegroup": 123
},
{
"id": "mp-1094415",
"created_at": "2022-09-04T14:41:31.851464Z",
"structure_string": "Y5 Mg1\n1.0\n1.794458 6.407447 0.000000\n-1.794458 6.407447 0.000000\n0.000000 1.996205 8.116295\nY Mg\n5 1\ndirect\n0.001262 0.001262 0.008225 Y\n0.324436 0.324436 0.331727 Y\n0.948291 0.948291 0.600271 Y\n0.670242 0.670242 0.669797 Y\n0.280739 0.280739 0.944018 Y\n0.608362 0.608362 0.279295 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.171212241957752,
"density_atomic": 0.03214734495560284,
"volume": 186.6406077480524,
"volume_molar": 18.732933523178637,
"formula_full": "Y5 Mg1",
"formula_reduced": "Y5Mg",
"formula_anonymous": "AB5",
"energy": -33.95288432,
"energy_per_atom": -5.658814053333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.95288432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7671211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.159000Z",
"spacegroup": 8
}
]
}