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=-formula_anonymous&page=12156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12154",
"results": [
{
"id": "mp-1094073",
"created_at": "2022-09-04T14:46:59.645000Z",
"structure_string": "S4\n1.0\n4.241282 0.000000 0.000000\n0.000000 4.008472 0.000000\n0.000000 0.090296 6.129514\nS\n4\ndirect\n0.669086 0.283853 0.758376 S\n0.830914 0.783853 0.758376 S\n0.169086 0.216147 0.241624 S\n0.330914 0.716147 0.241624 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.043799497537599,
"density_atomic": 0.03838468193869357,
"volume": 104.20823614973897,
"volume_molar": 15.688916661126214,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -14.2623216,
"energy_per_atom": -3.5655804,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.2623216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.946000Z",
"spacegroup": 14
},
{
"id": "mp-124",
"created_at": "2022-09-04T14:46:26.019249Z",
"structure_string": "Ag1\n1.0\n0.000000 2.080274 2.080274\n2.080274 0.000000 2.080274\n2.080274 2.080274 0.000000\nAg\n1\ndirect\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.948346655461544,
"density_atomic": 0.05554032041803643,
"volume": 18.004937538589626,
"volume_molar": 10.842826823239468,
"formula_full": "Ag1",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -2.82894684,
"energy_per_atom": -2.82894684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.82894684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.184000Z",
"spacegroup": 225
},
{
"id": "mp-570087",
"created_at": "2022-09-04T14:46:30.472046Z",
"structure_string": "Gd3\n1.0\n8.740421 -1.811792 0.000000\n8.740421 1.811792 0.000000\n8.364856 0.000000 3.115562\nGd\n3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.777870 0.777870 0.777870 Gd\n0.222130 0.222130 0.222130 Gd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 7.938782852451279,
"density_atomic": 0.03040284121911447,
"volume": 98.67498824793651,
"volume_molar": 19.807822290680644,
"formula_full": "Gd3",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -42.16745012,
"energy_per_atom": -14.055816706666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.16745012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.5160219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.261000Z",
"spacegroup": 166
},
{
"id": "mp-1196831",
"created_at": "2022-09-04T14:46:30.264556Z",
"structure_string": "S80\n1.0\n10.227076 0.000000 0.000000\n0.000000 14.090503 0.000000\n0.000000 6.956926 17.905648\nS\n80\ndirect\n0.012247 0.000000 0.000000 S\n0.512161 0.000000 0.500000 S\n0.194428 0.500000 0.000000 S\n0.695334 0.500000 0.500000 S\n0.631991 0.124931 0.450923 S\n0.631991 0.875069 0.549077 S\n0.676444 0.185273 0.531539 S\n0.676444 0.814727 0.468461 S\n0.528334 0.285674 0.530754 S\n0.528334 0.714326 0.469246 S\n0.575683 0.425048 0.449989 S\n0.575683 0.574952 0.550011 S\n0.050015 0.070549 0.457193 S\n0.050015 0.929451 0.542807 S\n0.190714 0.158185 0.482737 S\n0.190714 0.841815 0.517263 S\n0.104069 0.223393 0.551828 S\n0.104069 0.776607 0.448172 S\n0.015766 0.357147 0.483881 S\n0.015766 0.642853 0.516119 S\n0.156023 0.529433 0.542172 S\n0.156023 0.470567 0.457828 S\n0.805325 0.049069 0.302902 S\n0.805325 0.950931 0.697098 S\n0.723310 0.015293 0.768296 S\n0.723310 0.984707 0.231704 S\n0.865688 0.103727 0.791275 S\n0.865688 0.896273 0.208725 S\n0.859543 0.245230 0.706133 S\n0.859543 0.754770 0.293867 S\n0.719873 0.330770 0.734409 S\n0.719873 0.669230 0.265591 S\n0.811007 0.397733 0.801479 S\n0.811007 0.602267 0.198521 S\n0.896676 0.531160 0.732056 S\n0.896676 0.468840 0.267944 S\n0.755009 0.643758 0.706697 S\n0.755009 0.356242 0.293303 S\n0.758241 0.703521 0.790489 S\n0.758241 0.296479 0.209511 S\n0.897255 0.181861 0.237009 S\n0.897255 0.818139 0.762991 S\n0.382192 0.111231 0.282090 S\n0.382192 0.888769 0.717910 S\n0.233947 0.012131 0.280510 S\n0.233947 0.987869 0.719490 S\n0.282756 0.048768 0.799252 S\n0.282756 0.951232 0.200748 S\n0.399981 0.174554 0.747923 S\n0.399981 0.825446 0.252077 S\n0.278055 0.298610 0.700689 S\n0.278055 0.701390 0.299311 S\n0.238415 0.359079 0.781871 S\n0.238415 0.640921 0.218129 S\n0.386616 0.460804 0.778159 S\n0.386616 0.539196 0.221841 S\n0.334105 0.599892 0.698876 S\n0.334105 0.400108 0.301124 S\n0.217161 0.672862 0.751759 S\n0.217161 0.327138 0.248241 S\n0.339523 0.749038 0.799502 S\n0.339523 0.250962 0.200498 S\n0.604178 0.777113 0.947214 S\n0.604178 0.222887 0.052786 S\n0.690195 0.157846 0.983277 S\n0.690195 0.842154 0.016723 S\n0.548848 0.070754 0.957537 S\n0.548848 0.929246 0.042463 S\n0.514971 0.356252 0.985072 S\n0.514971 0.643748 0.014928 S\n0.654781 0.470053 0.958060 S\n0.654781 0.529947 0.041940 S\n0.174912 0.813774 0.969373 S\n0.174912 0.186226 0.030627 S\n0.131574 0.124924 0.950220 S\n0.131574 0.875076 0.049780 S\n0.026968 0.713113 0.970608 S\n0.026968 0.286887 0.029392 S\n0.075672 0.425975 0.948751 S\n0.075672 0.574025 0.051249 S\n",
"nsites": 80,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6508298231044178,
"density_atomic": 0.031004302413772913,
"volume": 2580.2870495954758,
"volume_molar": 19.423564767336316,
"formula_full": "S80",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -330.07529879,
"energy_per_atom": -4.1259412348749995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.07529879,
"band_gap": 2.3187,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.240000Z",
"spacegroup": 3
},
{
"id": "mp-1202723",
"created_at": "2022-09-04T14:46:27.254364Z",
"structure_string": "B12\n1.0\n0.000000 3.704281 3.704281\n3.704281 0.000000 3.704281\n3.704281 3.704281 0.000000\nB\n12\ndirect\n0.500000 0.500000 0.838175 B\n0.838175 0.161825 0.500000 B\n0.500000 0.500000 0.161825 B\n0.161825 0.838175 0.500000 B\n0.838175 0.500000 0.500000 B\n0.500000 0.838175 0.161825 B\n0.161825 0.500000 0.500000 B\n0.500000 0.161825 0.838175 B\n0.500000 0.838175 0.500000 B\n0.161825 0.500000 0.838175 B\n0.500000 0.161825 0.500000 B\n0.838175 0.500000 0.161825 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.1191145971533185,
"density_atomic": 0.11804279340521799,
"volume": 101.65804835544962,
"volume_molar": 5.101658971528368,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -76.29553201,
"energy_per_atom": -6.357961000833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.29553201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.762000Z",
"spacegroup": 225
},
{
"id": "mp-1059289",
"created_at": "2022-09-04T14:46:27.564633Z",
"structure_string": "Cr2\n1.0\n0.000000 -2.274707 0.000000\n-2.449084 1.137354 0.000000\n0.000000 0.000000 -4.236838\nCr\n2\ndirect\n0.860699 0.721397 0.750000 Cr\n0.139301 0.278603 0.250000 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.316086973554048,
"density_atomic": 0.08473425041949406,
"volume": 23.603206378749974,
"volume_molar": 7.107091560008111,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -18.6342467,
"energy_per_atom": -9.31712335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6342467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.289000Z",
"spacegroup": 63
},
{
"id": "mp-1056351",
"created_at": "2022-09-04T14:46:26.270611Z",
"structure_string": "Mg1\n1.0\n-1.825264 1.825264 1.700467\n1.825264 -1.825264 1.700467\n1.825264 1.825264 -1.700467\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7810050334772547,
"density_atomic": 0.04412862789374627,
"volume": 22.661026361567792,
"volume_molar": 13.646789051543191,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57155674,
"energy_per_atom": -1.57155674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57155674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.534000Z",
"spacegroup": 139
},
{
"id": "mp-1178608",
"created_at": "2022-09-04T14:46:26.216241Z",
"structure_string": "Zr1\n1.0\n1.458969 -2.527009 0.000000\n1.458969 2.527009 0.000000\n0.000000 0.000000 7.600479\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 2.7029275000963153,
"density_atomic": 0.01784334152775591,
"volume": 56.04331444558559,
"volume_molar": 33.75007282482578,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -6.74613904,
"energy_per_atom": -6.74613904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.74613904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0513561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.392000Z",
"spacegroup": 191
},
{
"id": "mp-1184478",
"created_at": "2022-09-04T14:45:36.684642Z",
"structure_string": "In1\n1.0\n-1.915047 1.915047 1.915047\n1.915047 -1.915047 1.915047\n1.915047 1.915047 -1.915047\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.786733137072897,
"density_atomic": 0.03559604092227124,
"volume": 28.093011865663232,
"volume_molar": 16.918007182737423,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71684631,
"energy_per_atom": -2.71684631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71684631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.153000Z",
"spacegroup": 229
},
{
"id": "mp-64",
"created_at": "2022-09-04T14:45:43.133558Z",
"structure_string": "Ce2\n1.0\n1.593703 -3.086210 0.000000\n1.593703 3.086210 0.000000\n0.000000 0.000000 5.281438\nCe\n2\ndirect\n0.899037 0.100963 0.750000 Ce\n0.100963 0.899037 0.250000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.95677733837446,
"density_atomic": 0.03849594186695973,
"volume": 51.95352816439487,
"volume_molar": 15.643572979230518,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.78685384,
"energy_per_atom": -5.89342692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.78685384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.128000Z",
"spacegroup": 63
},
{
"id": "mp-123",
"created_at": "2022-09-04T14:45:43.137821Z",
"structure_string": "Nd4\n1.0\n1.853540 -3.210425 0.000000\n1.853540 3.210425 0.000000\n0.000000 0.000000 11.910868\nNd\n4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.758696200879876,
"density_atomic": 0.02821773123628453,
"volume": 141.75484083059422,
"volume_molar": 21.341690122330842,
"formula_full": "Nd4",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -19.07257284,
"energy_per_atom": -4.76814321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07257284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.999000Z",
"spacegroup": 194
},
{
"id": "mp-10207",
"created_at": "2022-09-04T14:45:31.292762Z",
"structure_string": "Np1\n1.0\n-1.643450 1.643450 1.643450\n1.643450 -1.643450 1.643450\n1.643450 1.643450 -1.643450\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 22.165011704054592,
"density_atomic": 0.056321021297465114,
"volume": 17.755359845454503,
"volume_molar": 10.692527623377886,
"formula_full": "Np1",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -12.50028536,
"energy_per_atom": -12.50028536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.50028536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4894022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.081000Z",
"spacegroup": 229
}
]
}