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=-volume&page=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12185",
"results": [
{
"id": "mp-1282",
"created_at": "2022-09-04T14:40:21.894546Z",
"structure_string": "V1 C1\n1.0\n0.000000 2.080973 2.080973\n2.080973 0.000000 2.080973\n2.080973 2.080973 0.000000\nV C\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.80003584596311,
"density_atomic": 0.11096874228225896,
"volume": 18.02309334022026,
"volume_molar": 5.426880251271249,
"formula_full": "V1 C1",
"formula_reduced": "VC",
"formula_anonymous": "AB",
"energy": -19.13191761,
"energy_per_atom": -9.565958805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.13191761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.953000Z",
"spacegroup": 225
},
{
"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-1018061",
"created_at": "2022-09-04T14:48:07.155052Z",
"structure_string": "Fe1 H3\n1.0\n2.611558 0.000000 0.000000\n0.000000 2.611558 0.000000\n0.000000 0.000000 2.611558\nFe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 5.48826915184629,
"density_atomic": 0.22457477063481782,
"volume": 17.811439765441953,
"volume_molar": 2.681574935143821,
"formula_full": "Fe1 H3",
"formula_reduced": "FeH3",
"formula_anonymous": "AB3",
"energy": -18.05953845,
"energy_per_atom": -4.5148846125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.52253845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6534773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.665000Z",
"spacegroup": 221
},
{
"id": "mp-1183678",
"created_at": "2022-09-04T14:46:13.088560Z",
"structure_string": "Co1 H3\n1.0\n2.611335 0.000000 0.000000\n0.000000 2.611335 0.000000\n0.000000 0.000000 2.611335\nCo H\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 5.777657780423185,
"density_atomic": 0.224632309538099,
"volume": 17.806877417701017,
"volume_molar": 2.6808880576365213,
"formula_full": "Co1 H3",
"formula_reduced": "CoH3",
"formula_anonymous": "AB3",
"energy": -16.80960588,
"energy_per_atom": -4.20240147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.27260588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.217000Z",
"spacegroup": 221
},
{
"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
},
{
"id": "mp-24289",
"created_at": "2022-09-04T14:43:53.076409Z",
"structure_string": "H1 Pd1\n1.0\n0.000000 2.070119 2.070119\n2.070119 0.000000 2.070119\n2.070119 2.070119 0.000000\nH Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Pd"
],
"chemical_system": "H-Pd",
"density": 10.054267030872406,
"density_atomic": 0.11272339638917969,
"volume": 17.74254559448299,
"volume_molar": 5.342405350534723,
"formula_full": "H1 Pd1",
"formula_reduced": "HPd",
"formula_anonymous": "AB",
"energy": -8.69843495,
"energy_per_atom": -4.349217475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.69843495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025427,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.942000Z",
"spacegroup": 225
},
{
"id": "mp-1008923",
"created_at": "2022-09-04T14:40:30.786284Z",
"structure_string": "Cu1 N1\n1.0\n2.606986 0.000000 0.000000\n0.000000 2.606986 0.000000\n0.000000 0.000000 2.606986\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.268251106171348,
"density_atomic": 0.11287919377537002,
"volume": 17.718057093674915,
"volume_molar": 5.335031690591342,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy": -9.99471429,
"energy_per_atom": -4.997357145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.63371429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.023000Z",
"spacegroup": 221
},
{
"id": "mp-6933",
"created_at": "2022-09-04T14:41:04.243355Z",
"structure_string": "Mn1 N1\n1.0\n0.000000 2.068693 2.068693\n2.068693 0.000000 2.068693\n2.068693 2.068693 0.000000\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.465946944815858,
"density_atomic": 0.11295666598470842,
"volume": 17.70590502618722,
"volume_molar": 5.331372617544547,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -18.27543349,
"energy_per_atom": -9.137716745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.91443349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9483819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.375000Z",
"spacegroup": 225
},
{
"id": "mp-1033",
"created_at": "2022-09-04T14:42:21.161986Z",
"structure_string": "Be1 Ni1\n1.0\n2.605113 0.000000 0.000000\n0.000000 2.605113 0.000000\n0.000000 0.000000 2.605113\nBe Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Ni"
],
"chemical_system": "Be-Ni",
"density": 6.359073940626532,
"density_atomic": 0.11312283937514894,
"volume": 17.679895687266175,
"volume_molar": 5.323541022541693,
"formula_full": "Be1 Ni1",
"formula_reduced": "BeNi",
"formula_anonymous": "AB",
"energy": -10.45611205,
"energy_per_atom": -5.228056025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45611205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0578313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.811000Z",
"spacegroup": 221
},
{
"id": "mp-925",
"created_at": "2022-09-04T14:47:01.795534Z",
"structure_string": "V1 N1\n1.0\n0.000000 2.062465 2.062465\n2.062465 0.000000 2.062465\n2.062465 2.062465 0.000000\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 6.146479807748837,
"density_atomic": 0.11398304061868632,
"volume": 17.546469976096787,
"volume_molar": 5.283365601858435,
"formula_full": "V1 N1",
"formula_reduced": "VN",
"formula_anonymous": "AB",
"energy": -19.72423304,
"energy_per_atom": -9.86211652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.36323304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058653,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.542000Z",
"spacegroup": 225
},
{
"id": "mp-2773",
"created_at": "2022-09-04T14:46:55.333258Z",
"structure_string": "Be1 Co1\n1.0\n2.591899 0.000000 0.000000\n0.000000 2.591899 0.000000\n0.000000 0.000000 2.591899\nBe Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Co"
],
"chemical_system": "Be-Co",
"density": 6.479698337891547,
"density_atomic": 0.1148618411127691,
"volume": 17.41222307272995,
"volume_molar": 5.242942914424973,
"formula_full": "Be1 Co1",
"formula_reduced": "BeCo",
"formula_anonymous": "AB",
"energy": -11.45948122,
"energy_per_atom": -5.72974061,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45948122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4027209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.974000Z",
"spacegroup": 221
},
{
"id": "mp-6985",
"created_at": "2022-09-04T14:39:23.358114Z",
"structure_string": "Ti1\n1.0\n0.000000 2.054533 2.054533\n2.054533 0.000000 2.054533\n2.054533 2.054533 0.000000\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.5826421717129815,
"density_atomic": 0.057654158857469044,
"volume": 17.344802522783677,
"volume_molar": 10.445284224660641,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.8335295,
"energy_per_atom": -7.8335295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.8335295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.064000Z",
"spacegroup": 225
}
]
}