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=11511",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11509",
"results": [
{
"id": "mp-1178023",
"created_at": "2022-09-04T14:44:10.152659Z",
"structure_string": "Li2 Cr1 Ni1 O4\n1.0\n2.939375 0.000000 0.000000\n0.000000 5.093436 0.000000\n0.000000 1.690541 4.811454\nLi Cr Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.280137 0.248189 O\n0.500000 0.267382 0.730698 O\n0.000000 0.719863 0.751811 O\n0.500000 0.732618 0.269302 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.346877866370996,
"density_atomic": 0.111057476063092,
"volume": 72.03477229624039,
"volume_molar": 5.422544229781351,
"formula_full": "Li2 Cr1 Ni1 O4",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
"energy": -54.73730492999999,
"energy_per_atom": -6.842163116249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.44930493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0018006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.612000Z",
"spacegroup": 10
},
{
"id": "mp-1187940",
"created_at": "2022-09-04T14:47:29.671978Z",
"structure_string": "Zr2 Cu1 Re1\n1.0\n0.000000 3.302403 3.302403\n3.302403 0.000000 3.302403\n3.302403 3.302403 0.000000\nZr Cu Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Re"
],
"chemical_system": "Cu-Re-Zr",
"density": 9.963562714915366,
"density_atomic": 0.0555315486646662,
"volume": 72.03112638105002,
"volume_molar": 10.844539554200814,
"formula_full": "Zr2 Cu1 Re1",
"formula_reduced": "Zr2CuRe",
"formula_anonymous": "ABC2",
"energy": -34.49893724,
"energy_per_atom": -8.62473431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.49893724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.801000Z",
"spacegroup": 225
},
{
"id": "mp-1222707",
"created_at": "2022-09-04T14:47:29.399913Z",
"structure_string": "La1 Th1 N2\n1.0\n6.162530 -1.850961 0.000000\n6.162530 1.850961 0.000000\n5.606581 0.000000 3.157386\nLa Th N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Th\n0.241802 0.241802 0.241802 N\n0.758198 0.758198 0.758198 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Th",
"N"
],
"chemical_system": "La-N-Th",
"density": 9.197316281277924,
"density_atomic": 0.05553234358328972,
"volume": 72.03009529033532,
"volume_molar": 10.844384319865311,
"formula_full": "La1 Th1 N2",
"formula_reduced": "LaThN2",
"formula_anonymous": "ABC2",
"energy": -35.75938781,
"energy_per_atom": -8.9398469525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.03738781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.734000Z",
"spacegroup": 166
},
{
"id": "mp-2523",
"created_at": "2022-09-04T14:40:39.656604Z",
"structure_string": "Pu1 Pt3\n1.0\n4.160644 0.000000 0.000000\n0.000000 4.160644 0.000000\n0.000000 0.000000 4.160644\nPu Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Pt"
],
"chemical_system": "Pt-Pu",
"density": 19.118506033705685,
"density_atomic": 0.05553647600279429,
"volume": 72.02473559537235,
"volume_molar": 10.843577398927867,
"formula_full": "Pu1 Pt3",
"formula_reduced": "PuPt3",
"formula_anonymous": "AB3",
"energy": -33.66038501,
"energy_per_atom": -8.4150962525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.66038501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1600796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.521000Z",
"spacegroup": 221
},
{
"id": "mp-38006",
"created_at": "2022-09-04T14:42:57.438854Z",
"structure_string": "Ni2 Sb1 Te1\n1.0\n1.996484 -3.458011 0.000000\n1.996484 3.458011 0.000000\n0.000000 0.000000 5.215982\nNi Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.748000 Ni\n0.000000 0.000000 0.252000 Ni\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"Te"
],
"chemical_system": "Ni-Sb-Te",
"density": 8.455847587783772,
"density_atomic": 0.05553946694159348,
"volume": 72.02085688374517,
"volume_molar": 10.84299344524321,
"formula_full": "Ni2 Sb1 Te1",
"formula_reduced": "Ni2SbTe",
"formula_anonymous": "ABC2",
"energy": -20.35683967,
"energy_per_atom": -5.0892099175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74283967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.229000Z",
"spacegroup": 187
},
{
"id": "mp-961721",
"created_at": "2022-09-04T14:41:58.868514Z",
"structure_string": "Hf1 Bi1 Rh1\n1.0\n0.000000 3.302238 3.302238\n3.302238 0.000000 3.302238\n3.302238 3.302238 0.000000\nHf Bi Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Bi",
"Rh"
],
"chemical_system": "Bi-Hf-Rh",
"density": 11.306367771226151,
"density_atomic": 0.04165490487573796,
"volume": 72.0203301135699,
"volume_molar": 14.457218850852826,
"formula_full": "Hf1 Bi1 Rh1",
"formula_reduced": "HfBiRh",
"formula_anonymous": "ABC",
"energy": -21.09420316,
"energy_per_atom": -7.031401053333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.09420316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.852000Z",
"spacegroup": 216
},
{
"id": "mp-865206",
"created_at": "2022-09-04T14:40:09.708179Z",
"structure_string": "Tm1 Cd1 Rh2\n1.0\n0.000000 3.302106 3.302106\n3.302106 0.000000 3.302106\n3.302106 3.302106 0.000000\nTm Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Tm",
"density": 11.23347993495012,
"density_atomic": 0.055546533968053924,
"volume": 72.01169387635403,
"volume_molar": 10.841613922235851,
"formula_full": "Tm1 Cd1 Rh2",
"formula_reduced": "TmCdRh2",
"formula_anonymous": "ABC2",
"energy": -22.58689844,
"energy_per_atom": -5.64672461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.58689844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.022000Z",
"spacegroup": 225
},
{
"id": "mp-21427",
"created_at": "2022-09-04T14:45:15.970983Z",
"structure_string": "Gd1 Pd3\n1.0\n4.160234 0.000000 0.000000\n0.000000 4.160234 0.000000\n0.000000 0.000000 4.160234\nGd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"Pd"
],
"chemical_system": "Gd-Pd",
"density": 10.989244587778114,
"density_atomic": 0.05555289733817796,
"volume": 72.00344521456769,
"volume_molar": 10.840372057176877,
"formula_full": "Gd1 Pd3",
"formula_reduced": "GdPd3",
"formula_anonymous": "AB3",
"energy": -33.03591373,
"energy_per_atom": -8.2589784325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.03591373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0720603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.599000Z",
"spacegroup": 221
},
{
"id": "mp-865097",
"created_at": "2022-09-04T14:48:20.388680Z",
"structure_string": "Na1 Hg1 Pd2\n1.0\n0.000000 3.301856 3.301856\n3.301856 0.000000 3.301856\n3.301856 3.301856 0.000000\nNa Hg Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Hg\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Pd"
],
"chemical_system": "Hg-Na-Pd",
"density": 10.065819312599995,
"density_atomic": 0.0555591520394764,
"volume": 71.99533925855965,
"volume_molar": 10.839151676975005,
"formula_full": "Na1 Hg1 Pd2",
"formula_reduced": "NaHgPd2",
"formula_anonymous": "ABC2",
"energy": -12.68998129,
"energy_per_atom": -3.1724953225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.68998129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.354000Z",
"spacegroup": 225
},
{
"id": "mp-542112",
"created_at": "2022-09-04T14:45:33.919610Z",
"structure_string": "Ca1 Zr1 O3\n1.0\n4.160071 0.000000 0.000000\n0.000000 4.160071 0.000000\n0.000000 0.000000 4.160071\nCa Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"O"
],
"chemical_system": "Ca-O-Zr",
"density": 4.135496361472064,
"density_atomic": 0.06944928452355068,
"volume": 71.99498215571205,
"volume_molar": 8.671278331107725,
"formula_full": "Ca1 Zr1 O3",
"formula_reduced": "CaZrO3",
"formula_anonymous": "ABC3",
"energy": -42.78859336,
"energy_per_atom": -8.557718672,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.72759336,
"band_gap": 3.2122,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000115,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.979000Z",
"spacegroup": 221
},
{
"id": "mp-1102681",
"created_at": "2022-09-04T14:42:07.208564Z",
"structure_string": "C4 N8\n1.0\n-3.236935 3.236935 1.717771\n3.236935 -3.236935 1.717771\n3.236935 3.236935 -1.717771\nC N\n4 8\ndirect\n0.125000 0.932095 0.307095 C\n0.625000 0.817905 0.692905 C\n0.067905 0.375000 0.192905 C\n0.182095 0.875000 0.807095 C\n0.846769 0.466373 0.242453 N\n0.403231 0.145684 0.119604 N\n0.223920 0.604316 0.757547 N\n0.026080 0.283627 0.880396 N\n0.533627 0.776080 0.380396 N\n0.716373 0.596769 0.742453 N\n0.395684 0.153231 0.619604 N\n0.854316 0.973920 0.257547 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.6926440724800234,
"density_atomic": 0.16668174216588894,
"volume": 71.99348797336829,
"volume_molar": 3.612957653158258,
"formula_full": "C4 N8",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy": -96.7700265,
"energy_per_atom": -8.064168875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.8820265,
"band_gap": 3.6068,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.571000Z",
"spacegroup": 122
},
{
"id": "mp-981539",
"created_at": "2022-09-04T14:42:53.910810Z",
"structure_string": "Hf2 Ir1 Pd1\n1.0\n0.000000 3.301725 3.301725\n3.301725 0.000000 3.301725\n3.301726 3.301725 0.000000\nHf Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ir",
"Pd"
],
"chemical_system": "Hf-Ir-Pd",
"density": 15.123299321455837,
"density_atomic": 0.05556575702026823,
"volume": 71.98678132902887,
"volume_molar": 10.837863250568795,
"formula_full": "Hf2 Ir1 Pd1",
"formula_reduced": "Hf2IrPd",
"formula_anonymous": "ABC2",
"energy": -37.21152908,
"energy_per_atom": -9.30288227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.21152908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.240000Z",
"spacegroup": 225
}
]
}