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=-updated_at&page=30",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-updated_at&page=28",
"results": [
{
"id": "oqmd-1718647",
"created_at": "2022-09-04T16:03:16.936775Z",
"updated_at": "2022-09-04T16:03:16.936805Z",
"structure_string": "Ni1 Ge2 Te1 O6\n1.0\n2.796399 1.614502 4.417310\n-2.796399 1.614502 4.417310\n0.000000 -3.229004 4.417310\nGe Ni O Te\n2 1 6 1\ndirect\n0.280145 0.280145 0.280145 Ge\n0.719855 0.719855 0.719855 Ge\n0.000000 0.000000 0.000000 Ni\n0.333737 0.706120 0.182308 O\n0.817692 0.666263 0.293880 O\n0.706120 0.182308 0.333737 O\n0.293880 0.817692 0.666263 O\n0.182308 0.333737 0.706120 O\n0.666263 0.293880 0.817692 O\n0.500000 0.500000 0.500000 Te\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ge",
"Ni",
"O",
"Te"
],
"chemical_system": "Ge-Ni-O-Te",
"density": 5.93347703469013,
"density_atomic": 0.0835705279266208,
"volume": 119.65940922116123,
"volume_molar": 7.206058055882749,
"formula_full": "Ni1 Ge2 Te1 O6",
"formula_reduced": "NiGe2TeO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -1.1521977135043535,
"spacegroup": 148
},
{
"id": "oqmd-1752555",
"created_at": "2022-09-04T16:03:16.935541Z",
"updated_at": "2022-09-04T16:03:16.935566Z",
"structure_string": "Sr1 Yb2 Fe1 H8\n1.0\n4.720739 0.000000 0.000000\n-2.360370 4.088280 0.000000\n0.000000 0.000000 6.584826\nFe H Sr Yb\n1 8 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.157853 0.315705 0.142013 H\n0.157853 0.842147 0.142013 H\n0.684295 0.842147 0.142013 H\n0.666667 0.333333 0.485953 H\n0.333333 0.666667 0.514047 H\n0.315705 0.157853 0.857987 H\n0.842147 0.157853 0.857987 H\n0.842147 0.684295 0.857987 H\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.144655 Yb\n0.333333 0.666667 0.855345 Yb\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Fe",
"H",
"Sr",
"Yb"
],
"chemical_system": "Fe-H-Sr-Yb",
"density": 6.501925358443286,
"density_atomic": 0.09442485365746606,
"volume": 127.08518504599424,
"volume_molar": 6.377707273813538,
"formula_full": "Sr1 Yb2 Fe1 H8",
"formula_reduced": "SrYb2FeH8",
"formula_anonymous": "ABC2D8",
"formation_energy": -0.5149863989561165,
"spacegroup": 164
},
{
"id": "oqmd-1739138",
"created_at": "2022-09-04T16:03:16.934240Z",
"updated_at": "2022-09-04T16:03:16.934266Z",
"structure_string": "Sr4 Sn3 O10\n1.0\n-2.034230 2.034230 14.402576\n2.034230 -2.034230 14.402576\n2.034230 2.034230 -14.402576\nO Sn Sr\n10 3 4\ndirect\n0.070840 0.070840 0.000000 O\n0.213677 0.213677 0.000000 O\n0.786323 0.786323 0.000000 O\n0.929160 0.929160 0.000000 O\n0.500000 0.000000 0.500000 O\n0.640258 0.140258 0.500000 O\n0.859742 0.359742 0.500000 O\n0.000000 0.500000 0.500000 O\n0.140258 0.640258 0.500000 O\n0.359742 0.859742 0.500000 O\n0.000000 0.000000 0.000000 Sn\n0.142238 0.142238 0.000000 Sn\n0.857762 0.857762 0.000000 Sn\n0.296132 0.296132 0.000000 Sr\n0.430297 0.430297 0.000000 Sr\n0.569703 0.569703 0.000000 Sr\n0.703868 0.703868 0.000000 Sr\n",
"nsites": 17,
"nelements": 3,
"elements": [
"O",
"Sn",
"Sr"
],
"chemical_system": "O-Sn-Sr",
"density": 6.036281853248515,
"density_atomic": 0.0713097058169122,
"volume": 238.39672040784362,
"volume_molar": 8.445050629519992,
"formula_full": "Sr4 Sn3 O10",
"formula_reduced": "Sr4Sn3O10",
"formula_anonymous": "A3B4C10",
"formation_energy": -2.5250348017259503,
"spacegroup": 139
},
{
"id": "oqmd-1725415",
"created_at": "2022-09-04T16:03:16.927760Z",
"updated_at": "2022-09-04T16:03:16.927790Z",
"structure_string": "Sm2 Zn1 Mo1 O6\n1.0\n-2.758989 2.758989 3.977700\n2.758989 -2.758989 3.977700\n2.758989 2.758989 -3.977700\nMo O Sm Zn\n1 6 2 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.252813 0.252813 0.000000 O\n0.747187 0.747187 0.000000 O\n0.323055 0.832100 0.155155 O\n0.167900 0.323055 0.490955 O\n0.832100 0.676945 0.509045 O\n0.676945 0.167900 0.844845 O\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mo",
"O",
"Sm",
"Zn"
],
"chemical_system": "Mo-O-Sm-Zn",
"density": 7.651423491932497,
"density_atomic": 0.0825672928275284,
"volume": 121.11333262298682,
"volume_molar": 7.293615369683267,
"formula_full": "Sm2 Zn1 Mo1 O6",
"formula_reduced": "Sm2ZnMoO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.6348096890272523,
"spacegroup": 87
},
{
"id": "oqmd-1715850",
"created_at": "2022-09-04T16:03:16.926482Z",
"updated_at": "2022-09-04T16:03:16.926501Z",
"structure_string": "V2 Pt2 O6\n1.0\n2.712028 1.565790 4.483693\n-2.712028 1.565790 4.483693\n0.000000 -3.131580 4.483693\nO Pt V\n6 2 2\ndirect\n0.750000 0.393149 0.106851 O\n0.606851 0.893149 0.250000 O\n0.106851 0.750000 0.393149 O\n0.893149 0.250000 0.606851 O\n0.393149 0.106851 0.750000 O\n0.250000 0.606851 0.893149 O\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n",
"nsites": 10,
"nelements": 3,
"elements": [
"O",
"Pt",
"V"
],
"chemical_system": "O-Pt-V",
"density": 8.54764798435718,
"density_atomic": 0.08753569754158919,
"volume": 114.23910793935113,
"volume_molar": 6.87963988307606,
"formula_full": "V2 Pt2 O6",
"formula_reduced": "VPtO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.2239999225841742,
"spacegroup": 167
},
{
"id": "oqmd-1731864",
"created_at": "2022-09-04T16:03:16.924677Z",
"updated_at": "2022-09-04T16:03:16.924698Z",
"structure_string": "Sm2 Cr2 W2 O12\n1.0\n5.149390 0.000000 0.000000\n-2.574695 4.459502 0.000000\n0.000000 0.000000 9.908729\nCr O Sm W\n2 12 2 2\ndirect\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n0.639284 0.009271 0.140711 O\n0.369987 0.360716 0.140711 O\n0.990729 0.630013 0.140711 O\n0.369987 0.009271 0.359289 O\n0.990729 0.360716 0.359289 O\n0.639284 0.630013 0.359289 O\n0.360716 0.369987 0.640711 O\n0.009271 0.639284 0.640711 O\n0.630013 0.990729 0.640711 O\n0.009271 0.369987 0.859289 O\n0.630013 0.639284 0.859289 O\n0.360716 0.990729 0.859289 O\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.250000 W\n0.333333 0.666667 0.750000 W\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cr",
"O",
"Sm",
"W"
],
"chemical_system": "Cr-O-Sm-W",
"density": 7.037840905353306,
"density_atomic": 0.07910654299652743,
"volume": 227.54122880568997,
"volume_molar": 7.612696158729065,
"formula_full": "Sm2 Cr2 W2 O12",
"formula_reduced": "SmCrWO6",
"formula_anonymous": "ABCD6",
"formation_energy": -2.8719036107813087,
"spacegroup": 163
},
{
"id": "oqmd-1725466",
"created_at": "2022-09-04T16:03:16.915674Z",
"updated_at": "2022-09-04T16:03:16.915718Z",
"structure_string": "Sm2 Ni1 S1 O6\n1.0\n-2.691793 2.691793 3.873092\n2.691793 -2.691793 3.873092\n2.691793 2.691793 -3.873092\nNi O S Sm\n1 6 1 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.244442 0.244442 0.000000 O\n0.755558 0.755558 0.000000 O\n0.310401 0.822226 0.132627 O\n0.177774 0.310401 0.488176 O\n0.822226 0.689599 0.511824 O\n0.689599 0.177774 0.867373 O\n0.000000 0.000000 0.000000 S\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ni",
"O",
"S",
"Sm"
],
"chemical_system": "Ni-O-S-Sm",
"density": 7.211077181287813,
"density_atomic": 0.08908382921936966,
"volume": 112.2538185395569,
"volume_molar": 6.760082960927094,
"formula_full": "Sm2 Ni1 S1 O6",
"formula_reduced": "Sm2NiSO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.2112463790723567,
"spacegroup": 87
},
{
"id": "oqmd-1718628",
"created_at": "2022-09-04T16:03:16.910040Z",
"updated_at": "2022-09-04T16:03:16.910061Z",
"structure_string": "Ge2 Te2 O6\n1.0\n2.889246 1.668107 4.839012\n-2.889246 1.668107 4.839012\n0.000000 -3.336214 4.839012\nGe O Te\n2 6 2\ndirect\n0.257209 0.257209 0.257209 Ge\n0.742791 0.742791 0.742791 Ge\n0.370954 0.746081 0.129782 O\n0.870218 0.629046 0.253919 O\n0.746081 0.129782 0.370954 O\n0.253919 0.870218 0.629046 O\n0.129782 0.370954 0.746081 O\n0.629046 0.253919 0.870218 O\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ge",
"O",
"Te"
],
"chemical_system": "Ge-O-Te",
"density": 5.891573927862017,
"density_atomic": 0.07146339182243555,
"volume": 139.93178528171333,
"volume_molar": 8.42688907764574,
"formula_full": "Ge2 Te2 O6",
"formula_reduced": "GeTeO3",
"formula_anonymous": "ABC3",
"formation_energy": -0.9721898121939192,
"spacegroup": 148
},
{
"id": "oqmd-1741412",
"created_at": "2022-09-04T16:03:16.909339Z",
"updated_at": "2022-09-04T16:03:16.909360Z",
"structure_string": "Ge2 Pb2 O8\n1.0\n-2.478823 2.478823 5.570685\n2.478823 -2.478823 5.570685\n2.478823 2.478823 -5.570685\nGe O Pb\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.492679 0.910923 0.067687 O\n0.174992 0.742679 0.081756 O\n0.575008 0.507321 0.418244 O\n0.257321 0.339077 0.432313 O\n0.906764 0.825008 0.567687 O\n0.089077 0.156764 0.581756 O\n0.660923 0.093236 0.918244 O\n0.843236 0.424992 0.932313 O\n0.500000 0.500000 0.000000 Pb\n0.250000 0.750000 0.500000 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ge",
"O",
"Pb"
],
"chemical_system": "Ge-O-Pb",
"density": 8.340130241753736,
"density_atomic": 0.08764388471173135,
"volume": 136.91771011142515,
"volume_molar": 6.871147690232314,
"formula_full": "Ge2 Pb2 O8",
"formula_reduced": "GePbO4",
"formula_anonymous": "ABC4",
"formation_energy": -1.4427113914191694,
"spacegroup": 88
},
{
"id": "oqmd-1723284",
"created_at": "2022-09-04T16:03:16.908855Z",
"updated_at": "2022-09-04T16:03:16.908883Z",
"structure_string": "Sm2 Co1 W1 O6\n1.0\n2.882341 1.664120 4.179514\n-2.882341 1.664120 4.179514\n0.000000 -3.328240 4.179514\nCo O Sm W\n1 6 2 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.360258 0.735347 0.156976 O\n0.843024 0.639742 0.264653 O\n0.735347 0.156976 0.360258 O\n0.264653 0.843024 0.639742 O\n0.156976 0.360258 0.735347 O\n0.639742 0.264653 0.843024 O\n0.246964 0.246964 0.246964 Sm\n0.753036 0.753036 0.753036 Sm\n0.500000 0.500000 0.500000 W\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"O",
"Sm",
"W"
],
"chemical_system": "Co-O-Sm-W",
"density": 8.828268755790155,
"density_atomic": 0.08313673521592027,
"volume": 120.28377075462845,
"volume_molar": 7.24365798627944,
"formula_full": "Sm2 Co1 W1 O6",
"formula_reduced": "Sm2CoWO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.6586716032208217,
"spacegroup": 148
},
{
"id": "oqmd-1718418",
"created_at": "2022-09-04T16:03:16.908017Z",
"updated_at": "2022-09-04T16:03:16.908040Z",
"structure_string": "La2 Ta1 Cu1 O6\n1.0\n2.895806 1.671894 4.471977\n-2.895806 1.671894 4.471977\n0.000000 -3.343789 4.471977\nCu La O Ta\n1 2 6 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.252651 0.252651 0.252651 La\n0.747349 0.747349 0.747349 La\n0.774234 0.333864 0.141474 O\n0.666136 0.858526 0.225766 O\n0.141474 0.774234 0.333864 O\n0.858526 0.225766 0.666136 O\n0.333864 0.141474 0.774234 O\n0.225766 0.666136 0.858526 O\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cu",
"La",
"O",
"Ta"
],
"chemical_system": "Cu-La-O-Ta",
"density": 7.903511687425753,
"density_atomic": 0.07697875785597055,
"volume": 129.90596728918754,
"volume_molar": 7.823120205794432,
"formula_full": "La2 Ta1 Cu1 O6",
"formula_reduced": "La2TaCuO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.042593817695953,
"spacegroup": 148
},
{
"id": "oqmd-1752347",
"created_at": "2022-09-04T16:03:16.905218Z",
"updated_at": "2022-09-04T16:03:16.905249Z",
"structure_string": "Ag6 Te2 H2 O8\n1.0\n5.670671 0.000000 0.000000\n0.000000 7.367141 0.000000\n-1.870649 0.000000 6.090371\nAg H O Te\n6 2 8 2\ndirect\n0.651358 0.190248 0.306483 Ag\n0.651358 0.809752 0.306483 Ag\n0.115928 0.000000 0.342118 Ag\n0.884069 0.500000 0.657879 Ag\n0.348640 0.309756 0.693520 Ag\n0.348640 0.690244 0.693520 Ag\n0.558525 0.500000 0.089356 H\n0.441617 0.000000 0.910727 H\n0.615128 0.000000 0.016731 O\n0.815423 0.500000 0.279089 O\n0.253300 0.301541 0.315103 O\n0.253300 0.698459 0.315103 O\n0.746698 0.198461 0.684896 O\n0.746698 0.801539 0.684896 O\n0.184612 0.000000 0.720919 O\n0.384713 0.500000 0.983168 O\n0.085415 0.500000 0.143842 Te\n0.914575 0.000000 0.856172 Te\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ag",
"H",
"O",
"Te"
],
"chemical_system": "Ag-H-O-Te",
"density": 6.737960216034918,
"density_atomic": 0.07074493031701844,
"volume": 254.43519301438778,
"volume_molar": 8.512469703502287,
"formula_full": "Ag6 Te2 H2 O8",
"formula_reduced": "Ag3TeHO4",
"formula_anonymous": "ABC3D4",
"formation_energy": -0.7218265323925029,
"spacegroup": 11
}
]
}