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=10235",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10233",
"results": [
{
"id": "mp-1207353",
"created_at": "2022-09-04T14:47:26.290329Z",
"structure_string": "Er2 Cu1 Sb3\n1.0\n11.000904 0.000000 0.000000\n0.000000 11.000904 0.000000\n0.000000 0.000000 39.794022\nEr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242858 Er\n0.500000 0.500000 0.757142 Er\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691208 Sb\n0.500000 0.500000 0.308792 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Sb"
],
"chemical_system": "Cu-Er-Sb",
"density": 0.263205408077758,
"density_atomic": 0.0012458812934550577,
"volume": 4815.868118029847,
"volume_molar": 483.3639281395339,
"formula_full": "Er2 Cu1 Sb3",
"formula_reduced": "Er2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -11.39697784,
"energy_per_atom": -1.8994963066666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.82097784,
"band_gap": 0.1115000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.959939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.051000Z",
"spacegroup": 123
},
{
"id": "mp-2551",
"created_at": "2022-09-04T14:47:37.013634Z",
"structure_string": "Dy1 Co5\n1.0\n4.919766 0.000000 0.000000\n-2.459883 4.260643 0.000000\n0.000000 0.000000 3.948364\nDy Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Co"
],
"chemical_system": "Co-Dy",
"density": 9.172468335927203,
"density_atomic": 0.07249607163527724,
"volume": 82.76310515396735,
"volume_molar": 8.306851149531214,
"formula_full": "Dy1 Co5",
"formula_reduced": "DyCo5",
"formula_anonymous": "AB5",
"energy": -40.81997058,
"energy_per_atom": -6.8033284300000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.81997058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1992994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.920000Z",
"spacegroup": 191
},
{
"id": "mp-1039529",
"created_at": "2022-09-04T14:47:37.227603Z",
"structure_string": "Ca2 Mg4\n1.0\n5.526401 -3.066208 0.000000\n5.526401 3.066208 0.000000\n3.825179 0.000000 5.030978\nCa Mg\n2 4\ndirect\n0.875528 0.875528 0.875528 Ca\n0.124472 0.124472 0.124472 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7274979219409685,
"density_atomic": 0.03519045074462545,
"volume": 170.50079987726116,
"volume_molar": 17.112996942557626,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -11.00665002,
"energy_per_atom": -1.8344416700000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.00665002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.198000Z",
"spacegroup": 166
},
{
"id": "mp-1215957",
"created_at": "2022-09-04T14:47:29.548697Z",
"structure_string": "Y2 Co2 Ni2\n1.0\n-2.514193 2.529144 3.593866\n2.514193 -2.529144 3.593866\n2.514193 2.529144 -3.593866\nY Co Ni\n2 2 2\ndirect\n0.373994 0.123994 0.250000 Y\n0.626006 0.876006 0.750000 Y\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Y",
"density": 7.503663294266952,
"density_atomic": 0.06563828253135279,
"volume": 91.41006998673433,
"volume_molar": 9.174738472359424,
"formula_full": "Y2 Co2 Ni2",
"formula_reduced": "YCoNi",
"formula_anonymous": "ABC",
"energy": -40.3879497,
"energy_per_atom": -6.73132495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.3879497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8579264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.853000Z",
"spacegroup": 74
},
{
"id": "mp-1245825",
"created_at": "2022-09-04T14:47:38.318526Z",
"structure_string": "Co2 Sn2 N2\n1.0\n3.050714 0.000000 0.000000\n-1.525357 2.636418 0.000000\n0.000000 0.000000 11.774627\nCo Sn N\n2 2 2\ndirect\n0.663689 0.327377 0.730380 Co\n0.336311 0.672623 0.230380 Co\n0.998730 0.997460 0.427024 Sn\n0.001270 0.002540 0.927024 Sn\n0.329731 0.659463 0.687236 N\n0.670269 0.340537 0.187236 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Sn",
"N"
],
"chemical_system": "Co-N-Sn",
"density": 6.720858583084533,
"density_atomic": 0.06335608443100293,
"volume": 94.7028222132985,
"volume_molar": 9.505228762295639,
"formula_full": "Co2 Sn2 N2",
"formula_reduced": "CoSnN",
"formula_anonymous": "ABC",
"energy": -37.79830568,
"energy_per_atom": -6.299717613333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.07630568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.830000Z",
"spacegroup": 186
},
{
"id": "mp-624668",
"created_at": "2022-09-04T14:47:29.643499Z",
"structure_string": "Ba2 Sb4\n1.0\n4.483806 0.000000 0.000000\n0.000000 5.239172 0.000000\n0.000000 1.923195 9.331109\nBa Sb\n2 4\ndirect\n0.250000 0.580869 0.285548 Ba\n0.750000 0.419131 0.714452 Ba\n0.250000 0.960369 0.604289 Sb\n0.750000 0.039631 0.395711 Sb\n0.250000 0.168539 0.022406 Sb\n0.750000 0.831461 0.977594 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.77014729088774,
"density_atomic": 0.02737212518701764,
"volume": 219.2011018145477,
"volume_molar": 22.00099816457163,
"formula_full": "Ba2 Sb4",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy": -25.44694376,
"energy_per_atom": -4.241157293333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.67894376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.146000Z",
"spacegroup": 11
},
{
"id": "mp-1018947",
"created_at": "2022-09-04T14:47:26.548368Z",
"structure_string": "Pt2 N4\n1.0\n1.612731 -2.793331 0.000000\n1.612731 2.793331 0.000000\n0.000000 0.000000 7.805207\nPt N\n2 4\ndirect\n0.666667 0.333333 0.250000 Pt\n0.333333 0.666667 0.750000 Pt\n0.000000 0.000000 0.423143 N\n0.000000 0.000000 0.576857 N\n0.000000 0.000000 0.923143 N\n0.000000 0.000000 0.076857 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pt",
"N"
],
"chemical_system": "N-Pt",
"density": 10.535977776537214,
"density_atomic": 0.0853203236386425,
"volume": 70.32322129264094,
"volume_molar": 7.058272288681881,
"formula_full": "Pt2 N4",
"formula_reduced": "PtN2",
"formula_anonymous": "AB2",
"energy": -41.36046121,
"energy_per_atom": -6.893410201666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.91646121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.411000Z",
"spacegroup": 194
},
{
"id": "mp-1422",
"created_at": "2022-09-04T14:47:36.743904Z",
"structure_string": "Gd2 Pt4\n1.0\n0.000000 3.866660 3.866660\n3.866660 0.000000 3.866660\n3.866660 3.866660 0.000000\nGd Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Gd\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"Pt"
],
"chemical_system": "Gd-Pt",
"density": 15.72389785531124,
"density_atomic": 0.05189353997124853,
"volume": 115.6213278825126,
"volume_molar": 11.604798522776726,
"formula_full": "Gd2 Pt4",
"formula_reduced": "GdPt2",
"formula_anonymous": "AB2",
"energy": -59.00878752,
"energy_per_atom": -9.83479792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.00878752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0652637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.258000Z",
"spacegroup": 227
},
{
"id": "mp-11826",
"created_at": "2022-09-04T14:48:16.326247Z",
"structure_string": "Ca1 Pd5\n1.0\n2.673066 -4.629887 0.000000\n2.673066 4.629887 0.000000\n0.000000 0.000000 4.493409\nCa Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Pd"
],
"chemical_system": "Ca-Pd",
"density": 8.54268185794521,
"density_atomic": 0.05394674311234205,
"volume": 111.22080136525067,
"volume_molar": 11.163122021025663,
"formula_full": "Ca1 Pd5",
"formula_reduced": "CaPd5",
"formula_anonymous": "AB5",
"energy": -30.10796291,
"energy_per_atom": -5.017993818333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.10796291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:44.193000Z",
"spacegroup": 191
},
{
"id": "mp-22740",
"created_at": "2022-09-04T14:48:06.055768Z",
"structure_string": "Ce2 Cu2 Si2\n1.0\n2.071255 -3.587519 0.000000\n2.071255 3.587519 0.000000\n0.000000 0.000000 7.983219\nCe Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Si"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.4872156097910905,
"density_atomic": 0.050572617468751815,
"volume": 118.64127862686412,
"volume_molar": 11.907907997289254,
"formula_full": "Ce2 Cu2 Si2",
"formula_reduced": "CeCuSi",
"formula_anonymous": "ABC",
"energy": -34.14570088,
"energy_per_atom": -5.690950146666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.28770088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9737854,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.103000Z",
"spacegroup": 194
},
{
"id": "mp-1226668",
"created_at": "2022-09-04T14:48:17.030384Z",
"structure_string": "Ce2 Fe2 Co2\n1.0\n-2.454428 2.601439 3.576268\n2.454428 -2.601439 3.576268\n2.454428 2.601439 -3.576268\nCe Fe Co\n2 2 2\ndirect\n0.124748 0.874748 0.250000 Ce\n0.875252 0.125252 0.750000 Ce\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Co"
],
"chemical_system": "Ce-Co-Fe",
"density": 9.267979116229558,
"density_atomic": 0.06568969703444512,
"volume": 91.33852446988503,
"volume_molar": 9.167557519472535,
"formula_full": "Ce2 Fe2 Co2",
"formula_reduced": "CeFeCo",
"formula_anonymous": "ABC",
"energy": -43.99463985,
"energy_per_atom": -7.332439975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.99463985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6962527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.406000Z",
"spacegroup": 74
},
{
"id": "mp-6098",
"created_at": "2022-09-04T14:48:11.403472Z",
"structure_string": "Er1 Ni2 B2 C1\n1.0\n-1.756144 1.756144 5.217067\n1.756144 -1.756144 5.217067\n1.756144 1.756144 -5.217067\nEr Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.357236 0.357236 0.000000 B\n0.642764 0.642764 0.000000 B\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Er",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Er-Ni",
"density": 8.212015229638553,
"density_atomic": 0.09322761981077068,
"volume": 64.35860973581151,
"volume_molar": 6.459610115782722,
"formula_full": "Er1 Ni2 B2 C1",
"formula_reduced": "ErNi2B2C",
"formula_anonymous": "ABC2D2",
"energy": -41.84324782,
"energy_per_atom": -6.973874636666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.84324782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020747,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.097000Z",
"spacegroup": 139
}
]
}