HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=59",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=57",
"results": [
{
"id": "oqmd-1539093",
"created_at": "2022-09-04T15:56:04.440094Z",
"updated_at": "2022-09-04T15:56:04.440113Z",
"structure_string": "Zr6 Sc2 Mn1\n1.0\n0.000000 4.692866 4.692866\n4.692866 0.000000 4.692866\n4.692866 4.692866 0.000000\nMn Sc Zr\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.734529 0.265471 0.265471 Zr\n0.265471 0.734529 0.265471 Zr\n0.734529 0.734529 0.265471 Zr\n0.265471 0.265471 0.734529 Zr\n0.734529 0.265471 0.734529 Zr\n0.265471 0.734529 0.734529 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"Sc",
"Zr"
],
"chemical_system": "Mn-Sc-Zr",
"density": 5.560737437893451,
"density_atomic": 0.04354096530255721,
"volume": 206.7018941234043,
"volume_molar": 13.830976686330636,
"formula_full": "Zr6 Sc2 Mn1",
"formula_reduced": "Zr6Sc2Mn",
"formula_anonymous": "AB2C6",
"formation_energy": 0.0906439806896565,
"spacegroup": 225
},
{
"id": "oqmd-757855",
"created_at": "2022-09-04T15:22:01.291066Z",
"updated_at": "2022-09-04T15:22:01.291087Z",
"structure_string": "Zr6 Sc2\n1.0\n5.602128 -3.234419 0.000000\n-0.000026 6.468794 0.000000\n0.000000 0.000000 5.137775\nSc Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.333348 0.666654 0.499999 Sc\n0.001507 0.500748 0.000000 Zr\n0.499250 0.500751 0.000000 Zr\n0.499251 0.998493 0.000000 Zr\n0.834100 0.165901 0.499999 Zr\n0.331844 0.165902 0.499999 Zr\n0.834099 0.668156 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Zr"
],
"chemical_system": "Sc-Zr",
"density": 5.683455823284647,
"density_atomic": 0.042967448480018655,
"volume": 186.18745778493866,
"volume_molar": 14.01558848159323,
"formula_full": "Zr6 Sc2",
"formula_reduced": "Zr3Sc",
"formula_anonymous": "AB3",
"formation_energy": -0.0320468074999987,
"spacegroup": 194
},
{
"id": "oqmd-757867",
"created_at": "2022-09-04T15:22:03.636756Z",
"updated_at": "2022-09-04T15:22:03.636787Z",
"structure_string": "Zr6 Sc2\n1.0\n5.604684 0.000000 0.000000\n0.000000 6.466191 0.000000\n0.000000 0.000000 5.135388\nSc Zr\n2 6\ndirect\n0.001162 0.000000 0.000000 Sc\n0.332174 0.499999 0.499999 Sc\n0.499175 0.249210 0.000000 Zr\n0.000271 0.499999 0.000000 Zr\n0.499175 0.750791 0.000000 Zr\n0.333063 0.000000 0.499999 Zr\n0.834158 0.250791 0.499999 Zr\n0.834158 0.749209 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Zr"
],
"chemical_system": "Sc-Zr",
"density": 5.685779175507367,
"density_atomic": 0.04298501323639834,
"volume": 186.11137691184553,
"volume_molar": 14.00986136000685,
"formula_full": "Zr6 Sc2",
"formula_reduced": "Zr3Sc",
"formula_anonymous": "AB3",
"formation_energy": -0.0285378087500003,
"spacegroup": 59
},
{
"id": "oqmd-322213",
"created_at": "2022-09-04T14:50:58.399163Z",
"updated_at": "2022-09-04T14:50:58.399187Z",
"structure_string": "Zr6 Sc2\n1.0\n6.430968 0.000000 0.000000\n-3.215484 5.569381 0.000000\n0.000000 0.000000 5.123512\nSc Zr\n2 6\ndirect\n0.666668 0.333333 0.250000 Sc\n0.333333 0.666667 0.750001 Sc\n0.167305 0.334610 0.250000 Zr\n0.167306 0.832696 0.250000 Zr\n0.665390 0.832696 0.250000 Zr\n0.334610 0.167304 0.750001 Zr\n0.832695 0.167304 0.750001 Zr\n0.832696 0.665390 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Zr"
],
"chemical_system": "Sc-Zr",
"density": 5.76649441236889,
"density_atomic": 0.04359522784688081,
"volume": 183.50632385953665,
"volume_molar": 13.813761407903453,
"formula_full": "Zr6 Sc2",
"formula_reduced": "Zr3Sc",
"formula_anonymous": "AB3",
"formation_energy": -0.0287018537500003,
"spacegroup": 194
},
{
"id": "oqmd-1626347",
"created_at": "2022-09-04T15:59:06.039571Z",
"updated_at": "2022-09-04T15:59:06.039597Z",
"structure_string": "Zr6 Sc1 Ni1\n1.0\n6.337732 0.000000 0.000000\n-3.168866 5.488637 0.000000\n0.000000 0.000000 4.954556\nNi Sc Zr\n1 1 6\ndirect\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.500000 Sc\n0.170302 0.340605 0.000000 Zr\n0.170302 0.829698 0.000000 Zr\n0.659395 0.829698 0.000000 Zr\n0.349091 0.174546 0.500000 Zr\n0.825454 0.174546 0.500000 Zr\n0.825454 0.650909 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Sc",
"Zr"
],
"chemical_system": "Ni-Sc-Zr",
"density": 6.272237626010055,
"density_atomic": 0.04641804722817684,
"volume": 172.34675902401625,
"volume_molar": 12.973705529655325,
"formula_full": "Zr6 Sc1 Ni1",
"formula_reduced": "Zr6ScNi",
"formula_anonymous": "ABC6",
"formation_energy": 0.0619807568750001,
"spacegroup": 187
},
{
"id": "oqmd-1202405",
"created_at": "2022-09-04T15:36:52.596739Z",
"updated_at": "2022-09-04T15:36:52.596756Z",
"structure_string": "Zr6 Sb8 Pt6\n1.0\n6.692869 3.864129 2.732352\n-6.692869 3.864129 2.732352\n0.000000 -7.728259 2.732352\nPt Sb Zr\n6 8 6\ndirect\n0.875000 0.249999 0.125000 Pt\n0.125000 0.875000 0.249999 Pt\n0.625000 0.750000 0.375001 Pt\n0.750000 0.375001 0.625000 Pt\n0.375001 0.625000 0.750000 Pt\n0.249999 0.125000 0.875000 Pt\n0.313949 0.500000 0.000000 Sb\n0.813949 0.500000 0.000000 Sb\n0.186051 0.186051 0.186051 Sb\n0.500000 0.000000 0.313949 Sb\n0.000000 0.313949 0.500000 Sb\n0.000000 0.813949 0.500000 Sb\n0.686050 0.686050 0.686050 Sb\n0.500000 0.000000 0.813949 Sb\n0.750000 0.875001 0.125001 Zr\n0.625000 0.375000 0.250000 Zr\n0.250000 0.625000 0.375000 Zr\n0.375000 0.250000 0.625000 Zr\n0.875001 0.125001 0.750000 Zr\n0.125001 0.750000 0.875001 Zr\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pt",
"Sb",
"Zr"
],
"chemical_system": "Pt-Sb-Zr",
"density": 10.542913928376626,
"density_atomic": 0.04717132978236395,
"volume": 423.9863512916578,
"volume_molar": 12.766527438985856,
"formula_full": "Zr6 Sb8 Pt6",
"formula_reduced": "Zr3Sb4Pt3",
"formula_anonymous": "A3B3C4",
"formation_energy": -0.807585936000001,
"spacegroup": 220
},
{
"id": "oqmd-1202402",
"created_at": "2022-09-04T15:36:53.259296Z",
"updated_at": "2022-09-04T15:36:53.259337Z",
"structure_string": "Zr6 Sb8 Pd6\n1.0\n6.677452 3.855229 2.726058\n-6.677452 3.855229 2.726058\n0.000000 -7.710457 2.726058\nPd Sb Zr\n6 8 6\ndirect\n0.875001 0.249999 0.125000 Pd\n0.125000 0.875001 0.249999 Pd\n0.625000 0.750000 0.375001 Pd\n0.750000 0.375001 0.625000 Pd\n0.375001 0.625000 0.750000 Pd\n0.249999 0.125000 0.875001 Pd\n0.817671 0.500000 0.000000 Sb\n0.317671 0.500001 0.000000 Sb\n0.182330 0.182330 0.182330 Sb\n0.500001 0.000000 0.317671 Sb\n0.000000 0.817671 0.500000 Sb\n0.000000 0.317671 0.500001 Sb\n0.682328 0.682328 0.682328 Sb\n0.500000 0.000000 0.817671 Sb\n0.750000 0.875001 0.125000 Zr\n0.625001 0.375001 0.250000 Zr\n0.250000 0.625001 0.375001 Zr\n0.375001 0.250000 0.625001 Zr\n0.875001 0.125000 0.750000 Zr\n0.125000 0.750000 0.875001 Zr\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pd",
"Sb",
"Zr"
],
"chemical_system": "Pd-Sb-Zr",
"density": 8.518131287186776,
"density_atomic": 0.04749881074817314,
"volume": 421.06317368733755,
"volume_molar": 12.678508503987374,
"formula_full": "Zr6 Sb8 Pd6",
"formula_reduced": "Zr3Sb4Pd3",
"formula_anonymous": "A3B3C4",
"formation_energy": -0.696971743499999,
"spacegroup": 220
},
{
"id": "oqmd-646911",
"created_at": "2022-09-04T15:16:10.711832Z",
"updated_at": "2022-09-04T15:16:10.711858Z",
"structure_string": "Zr6 Sb6\n1.0\n3.824387 0.000000 0.000000\n1.912193 5.258873 0.000000\n0.000000 0.000000 14.166623\nSb Zr\n6 6\ndirect\n0.642539 0.714923 0.048543 Sb\n0.330494 0.339010 0.250000 Sb\n0.642539 0.714923 0.451457 Sb\n0.357460 0.285078 0.548543 Sb\n0.669506 0.660990 0.750000 Sb\n0.357460 0.285078 0.951457 Sb\n0.928972 0.142057 0.108601 Zr\n0.619350 0.761302 0.250000 Zr\n0.928972 0.142057 0.391399 Zr\n0.071027 0.857944 0.608602 Zr\n0.380650 0.238698 0.750000 Zr\n0.071027 0.857944 0.891399 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Zr"
],
"chemical_system": "Sb-Zr",
"density": 7.447773734675022,
"density_atomic": 0.042117287490462764,
"volume": 284.9186335353941,
"volume_molar": 14.298500969141665,
"formula_full": "Zr6 Sb6",
"formula_reduced": "ZrSb",
"formula_anonymous": "AB",
"formation_energy": -0.712065819999999,
"spacegroup": 63
},
{
"id": "oqmd-757833",
"created_at": "2022-09-04T15:24:19.070953Z",
"updated_at": "2022-09-04T15:24:19.070982Z",
"structure_string": "Zr6 Sb6\n1.0\n8.718779 -1.865666 0.000000\n-0.268892 6.094119 0.000000\n0.000000 0.000000 5.459936\nSb Zr\n6 6\ndirect\n0.746621 0.259267 0.000000 Sb\n0.338674 0.382571 0.000000 Sb\n0.344479 0.895656 0.000000 Sb\n0.550204 0.339643 0.500000 Sb\n0.142244 0.462943 0.500000 Sb\n0.544388 0.826546 0.500000 Sb\n0.030387 0.063150 0.000000 Zr\n0.043442 0.583592 0.000000 Zr\n0.657226 0.724735 0.000000 Zr\n0.845416 0.138631 0.500000 Zr\n0.858490 0.659102 0.500000 Zr\n0.231637 0.997474 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Zr"
],
"chemical_system": "Sb-Zr",
"density": 7.384363821202116,
"density_atomic": 0.04175870334832512,
"volume": 287.36524455521203,
"volume_molar": 14.42128293536092,
"formula_full": "Zr6 Sb6",
"formula_reduced": "ZrSb",
"formula_anonymous": "AB",
"formation_energy": -0.360968666666666,
"spacegroup": 11
},
{
"id": "oqmd-757806",
"created_at": "2022-09-04T15:22:46.337696Z",
"updated_at": "2022-09-04T15:22:46.337726Z",
"structure_string": "Zr6 Sb6\n1.0\n7.324662 -2.063828 0.000000\n-0.118241 7.786715 0.000000\n0.000000 0.000000 5.059131\nSb Zr\n6 6\ndirect\n0.327101 0.294001 0.000000 Sb\n0.920449 0.518392 0.000000 Sb\n0.315730 0.861012 0.000000 Sb\n0.906468 0.194537 0.500001 Sb\n0.301750 0.537157 0.500001 Sb\n0.895100 0.761553 0.500001 Sb\n0.652591 0.163577 0.000000 Zr\n0.597878 0.655249 0.000000 Zr\n0.973582 0.981492 0.000000 Zr\n0.248621 0.074062 0.500001 Zr\n0.624325 0.400304 0.500001 Zr\n0.569608 0.891973 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Zr"
],
"chemical_system": "Sb-Zr",
"density": 7.385700359792648,
"density_atomic": 0.04176626149684909,
"volume": 287.3132420747138,
"volume_molar": 14.41867321654901,
"formula_full": "Zr6 Sb6",
"formula_reduced": "ZrSb",
"formula_anonymous": "AB",
"formation_energy": -0.429181457499999,
"spacegroup": 11
},
{
"id": "oqmd-757812",
"created_at": "2022-09-04T15:24:18.062507Z",
"updated_at": "2022-09-04T15:24:18.062527Z",
"structure_string": "Zr6 Sb6\n1.0\n8.830529 -2.037626 0.000000\n-0.383982 6.056757 0.000000\n0.000000 0.000000 5.441753\nSb Zr\n6 6\ndirect\n0.712167 0.174940 0.000000 Sb\n0.293774 0.354102 0.000000 Sb\n0.679948 0.656830 0.000000 Sb\n0.542251 0.398734 0.500001 Sb\n0.928422 0.701449 0.500001 Sb\n0.510044 0.880624 0.500001 Sb\n0.995784 0.020672 0.000000 Zr\n0.011526 0.535649 0.000000 Zr\n0.373757 0.881417 0.000000 Zr\n0.226418 0.034871 0.500001 Zr\n0.848463 0.174145 0.500001 Zr\n0.210654 0.519874 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Zr"
],
"chemical_system": "Sb-Zr",
"density": 7.399148819395086,
"density_atomic": 0.041842312765262714,
"volume": 286.7910305847707,
"volume_molar": 14.392466290724618,
"formula_full": "Zr6 Sb6",
"formula_reduced": "ZrSb",
"formula_anonymous": "AB",
"formation_energy": -0.325324874166666,
"spacegroup": 11
},
{
"id": "oqmd-1367447",
"created_at": "2022-09-04T15:49:03.430611Z",
"updated_at": "2022-09-04T15:49:03.430639Z",
"structure_string": "Zr6 Sb2 Rh1\n1.0\n7.888187 0.000000 0.000000\n-3.944094 6.831370 0.000000\n0.000000 0.000000 3.649358\nRh Sb Zr\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.666666 0.333333 0.500000 Sb\n0.333334 0.666667 0.500000 Sb\n0.405102 0.000000 0.000000 Zr\n0.000000 0.405102 0.000000 Zr\n0.594898 0.594898 0.000000 Zr\n0.750262 0.000000 0.500000 Zr\n0.249738 0.249738 0.500000 Zr\n0.000000 0.750262 0.500000 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rh",
"Sb",
"Zr"
],
"chemical_system": "Rh-Sb-Zr",
"density": 7.546979188940135,
"density_atomic": 0.045765797449862505,
"volume": 196.6534071619687,
"volume_molar": 13.158605542921864,
"formula_full": "Zr6 Sb2 Rh1",
"formula_reduced": "Zr6Sb2Rh",
"formula_anonymous": "AB2C6",
"formation_energy": -0.654953555555556,
"spacegroup": 189
}
]
}