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=formation_energy&page=102",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=100",
"results": [
{
"id": "oqmd-1727452",
"created_at": "2022-09-04T16:01:43.675434Z",
"updated_at": "2022-09-04T16:01:43.675455Z",
"structure_string": "Ho2 Lu2 O6\n1.0\n-2.877259 4.167600 2.801768\n2.877259 -4.167600 2.801768\n2.877259 4.167600 -2.801768\nHo Lu O\n2 2 6\ndirect\n0.794350 0.544350 0.250000 Ho\n0.205650 0.455650 0.750000 Ho\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.161477 0.500000 0.161477 O\n0.405763 0.155763 0.250000 O\n0.838523 0.000000 0.338523 O\n0.161477 0.000000 0.661477 O\n0.594237 0.844237 0.750000 O\n0.838523 0.500000 0.838523 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Lu",
"O"
],
"chemical_system": "Ho-Lu-O",
"density": 9.585984186866858,
"density_atomic": 0.07441197840644818,
"volume": 134.38696583739062,
"volume_molar": 8.092972245820775,
"formula_full": "Ho2 Lu2 O6",
"formula_reduced": "HoLuO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.76817437219392,
"spacegroup": 74
},
{
"id": "oqmd-1369013",
"created_at": "2022-09-04T15:48:50.212020Z",
"updated_at": "2022-09-04T15:48:50.212048Z",
"structure_string": "Ho1 V1 F6\n1.0\n0.000000 4.028686 4.028686\n4.028686 0.000000 4.028686\n4.028686 4.028686 0.000000\nF Ho V\n6 1 1\ndirect\n0.736717 0.263284 0.263284 F\n0.263284 0.736717 0.263284 F\n0.736715 0.736715 0.263286 F\n0.736715 0.263286 0.736715 F\n0.263286 0.736715 0.736715 F\n0.263284 0.263284 0.736717 F\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Ho",
"V"
],
"chemical_system": "F-Ho-V",
"density": 4.188528226922629,
"density_atomic": 0.061174402088950926,
"volume": 130.77365248895384,
"volume_molar": 9.844216787347555,
"formula_full": "Ho1 V1 F6",
"formula_reduced": "HoVF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.767980313515,
"spacegroup": 225
},
{
"id": "oqmd-1384405",
"created_at": "2022-09-04T15:47:19.275867Z",
"updated_at": "2022-09-04T15:47:19.275897Z",
"structure_string": "Ca1 Ti1 F6\n1.0\n3.418603 1.973732 2.255144\n-3.418603 1.973732 2.255144\n0.000000 -3.947463 2.255144\nCa F Ti\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.582452 0.206726 0.206727 F\n0.206726 0.582452 0.206727 F\n0.793273 0.793273 0.417548 F\n0.206727 0.206727 0.582452 F\n0.793274 0.417547 0.793273 F\n0.417547 0.793274 0.793273 F\n0.500001 0.500001 0.500001 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"F",
"Ti"
],
"chemical_system": "Ca-F-Ti",
"density": 3.67281700390668,
"density_atomic": 0.087624929112549,
"volume": 91.29821936545565,
"volume_molar": 6.872634101951648,
"formula_full": "Ca1 Ti1 F6",
"formula_reduced": "CaTiF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.76726587232161,
"spacegroup": 166
},
{
"id": "oqmd-1016706",
"created_at": "2022-09-04T15:27:49.637830Z",
"updated_at": "2022-09-04T15:27:49.637851Z",
"structure_string": "U4 O4 F4\n1.0\n8.113542 0.000000 0.000000\n0.000000 3.992221 0.000000\n0.000000 0.000000 5.654055\nF O U\n4 4 4\ndirect\n0.606301 0.749999 0.012487 F\n0.106301 0.749999 0.487512 F\n0.893698 0.250001 0.512487 F\n0.393699 0.250001 0.987513 F\n0.862233 0.250001 0.014181 O\n0.362233 0.250001 0.485819 O\n0.637768 0.749999 0.514180 O\n0.137768 0.749999 0.985820 O\n0.127683 0.250001 0.215286 U\n0.627684 0.250001 0.284714 U\n0.372317 0.749999 0.715287 U\n0.872317 0.749999 0.784713 U\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"O",
"U"
],
"chemical_system": "F-O-U",
"density": 9.90214171512448,
"density_atomic": 0.0655233591127101,
"volume": 183.14079379474705,
"volume_molar": 9.190830326084178,
"formula_full": "U4 O4 F4",
"formula_reduced": "UOF",
"formula_anonymous": "ABC",
"formation_energy": -3.76708416834465,
"spacegroup": 62
},
{
"id": "oqmd-692663",
"created_at": "2022-09-04T15:17:57.628784Z",
"updated_at": "2022-09-04T15:17:57.628808Z",
"structure_string": "La2 Lu2 O6\n1.0\n-2.927334 5.070291 0.000000\n2.927334 5.070291 0.000000\n-0.000000 3.380194 -5.127482\nLa Lu O\n2 2 6\ndirect\n0.631946 0.631946 0.104162 La\n0.368054 0.368054 0.895837 La\n0.851296 0.851296 0.446116 Lu\n0.148706 0.148706 0.553884 Lu\n0.549963 0.218921 0.261737 O\n0.969379 0.549963 0.261737 O\n0.218921 0.969379 0.261737 O\n0.781078 0.030621 0.738265 O\n0.030621 0.450036 0.738265 O\n0.450036 0.781077 0.738265 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Lu",
"O"
],
"chemical_system": "La-Lu-O",
"density": 7.89574610933483,
"density_atomic": 0.06569929319232852,
"volume": 152.20863899899103,
"volume_molar": 9.166218489399496,
"formula_full": "La2 Lu2 O6",
"formula_reduced": "LaLuO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.76692471652725,
"spacegroup": 148
},
{
"id": "oqmd-1440968",
"created_at": "2022-09-04T15:50:44.328339Z",
"updated_at": "2022-09-04T15:50:44.328357Z",
"structure_string": "Sc4 O6\n1.0\n4.606343 -2.661856 0.000000\n4.606343 2.661856 0.000000\n-3.082721 0.000000 4.725203\nO Sc\n6 4\ndirect\n0.750456 0.949783 0.249299 O\n0.450388 0.549612 0.250000 O\n0.050218 0.249545 0.250700 O\n0.949783 0.750456 0.749299 O\n0.549612 0.450388 0.750000 O\n0.249545 0.050218 0.750702 O\n0.356125 0.856133 0.068655 Sc\n0.143867 0.643876 0.431344 Sc\n0.856133 0.356125 0.568655 Sc\n0.643876 0.143868 0.931346 Sc\n",
"nsites": 10,
"nelements": 2,
"elements": [
"O",
"Sc"
],
"chemical_system": "O-Sc",
"density": 3.9526069459715685,
"density_atomic": 0.0862995840165337,
"volume": 115.87541369937716,
"volume_molar": 6.978180519208816,
"formula_full": "Sc4 O6",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"formation_energy": -3.76643458052725,
"spacegroup": 167
},
{
"id": "oqmd-1440283",
"created_at": "2022-09-04T15:50:44.730734Z",
"updated_at": "2022-09-04T15:50:44.730753Z",
"structure_string": "Sc4 O6\n1.0\n2.662434 1.537157 4.718466\n-2.662434 1.537157 4.718466\n0.000000 -3.074314 4.718466\nO Sc\n6 4\ndirect\n0.450515 0.750000 0.049484 O\n0.950516 0.549484 0.249999 O\n0.750000 0.049483 0.450517 O\n0.250000 0.950517 0.549483 O\n0.049484 0.450515 0.750001 O\n0.549485 0.249999 0.950515 O\n0.143490 0.143490 0.143490 Sc\n0.356510 0.356510 0.356510 Sc\n0.643490 0.643490 0.643490 Sc\n0.856510 0.856510 0.856510 Sc\n",
"nsites": 10,
"nelements": 2,
"elements": [
"O",
"Sc"
],
"chemical_system": "O-Sc",
"density": 3.9529904849390154,
"density_atomic": 0.08630795804759657,
"volume": 115.86417088543867,
"volume_molar": 6.977503461128054,
"formula_full": "Sc4 O6",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"formation_energy": -3.76641793052725,
"spacegroup": 167
},
{
"id": "oqmd-1727418",
"created_at": "2022-09-04T16:01:51.433278Z",
"updated_at": "2022-09-04T16:01:51.433294Z",
"structure_string": "Dy2 Lu2 O6\n1.0\n-2.880307 4.170625 2.812601\n2.880307 -4.170625 2.812601\n2.880307 4.170625 -2.812601\nDy Lu O\n2 2 6\ndirect\n0.792700 0.542700 0.250000 Dy\n0.207300 0.457300 0.750000 Dy\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.162656 0.500000 0.162656 O\n0.402992 0.152992 0.250000 O\n0.837344 0.000000 0.337344 O\n0.162656 0.000000 0.662656 O\n0.597008 0.847008 0.750000 O\n0.837344 0.500000 0.837344 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Lu",
"O"
],
"chemical_system": "Dy-Lu-O",
"density": 9.472317109489605,
"density_atomic": 0.0739932255576065,
"volume": 135.14750741896805,
"volume_molar": 8.1387731304017,
"formula_full": "Dy2 Lu2 O6",
"formula_reduced": "DyLuO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.766049189860587,
"spacegroup": 74
},
{
"id": "oqmd-1727338",
"created_at": "2022-09-04T16:01:47.693863Z",
"updated_at": "2022-09-04T16:01:47.693877Z",
"structure_string": "Dy2 Lu2 O6\n1.0\n-2.879350 4.170662 2.812615\n2.879350 -4.170662 2.812615\n2.879350 4.170662 -2.812615\nDy Lu O\n2 2 6\ndirect\n0.207045 0.957045 0.250000 Dy\n0.792955 0.042955 0.750000 Dy\n0.500000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.162514 0.500000 0.162514 O\n0.597115 0.347115 0.250000 O\n0.837486 0.000000 0.337486 O\n0.162514 0.000000 0.662514 O\n0.402885 0.652885 0.750000 O\n0.837486 0.500000 0.837486 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Lu",
"O"
],
"chemical_system": "Dy-Lu-O",
"density": 9.475334166137117,
"density_atomic": 0.07401679336582691,
"volume": 135.10447488011468,
"volume_molar": 8.136181650339347,
"formula_full": "Dy2 Lu2 O6",
"formula_reduced": "DyLuO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.765889748860586,
"spacegroup": 74
},
{
"id": "oqmd-1759391",
"created_at": "2022-09-04T16:03:17.755172Z",
"updated_at": "2022-09-04T16:03:17.755201Z",
"structure_string": "Sm4 Tm4 O12\n1.0\n5.955325 0.000000 0.000000\n0.000000 8.287665 0.000000\n0.000000 0.000000 5.693919\nO Sm Tm\n12 4 4\ndirect\n0.066027 0.250000 0.137246 O\n0.309449 0.572051 0.187319 O\n0.309449 0.927949 0.187319 O\n0.809449 0.572051 0.312681 O\n0.809449 0.927949 0.312681 O\n0.566027 0.250000 0.362754 O\n0.433973 0.750000 0.637246 O\n0.190551 0.072051 0.687319 O\n0.190551 0.427949 0.687319 O\n0.690551 0.072051 0.812681 O\n0.690551 0.427949 0.812681 O\n0.933973 0.750000 0.862754 O\n0.556257 0.750000 0.017917 Sm\n0.056257 0.750000 0.482083 Sm\n0.943743 0.250000 0.517917 Sm\n0.443743 0.250000 0.982083 Sm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n",
"nsites": 20,
"nelements": 3,
"elements": [
"O",
"Sm",
"Tm"
],
"chemical_system": "O-Sm-Tm",
"density": 8.681046905377704,
"density_atomic": 0.07116739279531158,
"volume": 281.0275775806919,
"volume_molar": 8.461938148163735,
"formula_full": "Sm4 Tm4 O12",
"formula_reduced": "SmTmO3",
"formula_anonymous": "ABC3",
"formation_energy": -3.765784969527252,
"spacegroup": 62
},
{
"id": "oqmd-432668",
"created_at": "2022-09-04T15:16:46.539786Z",
"updated_at": "2022-09-04T15:16:46.539814Z",
"structure_string": "Eu2 Tm4 O8\n1.0\n4.760133 -4.761264 0.000000\n-4.760133 0.000000 -4.761264\n4.760133 4.761264 0.000000\nEu O Tm\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.500000 0.250000 Eu\n0.170604 0.780438 0.390165 O\n0.609727 0.219561 0.390166 O\n0.609834 0.780438 0.390272 O\n0.140166 0.280438 0.420604 O\n0.609834 0.219561 0.829395 O\n0.140166 0.719563 0.859729 O\n0.140272 0.280438 0.859835 O\n0.579397 0.719563 0.859835 O\n0.375000 0.750000 0.124999 Tm\n0.875001 0.250001 0.625000 Tm\n0.375000 0.250001 0.625001 Tm\n0.375000 0.750000 0.625001 Tm\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"O",
"Tm"
],
"chemical_system": "Eu-O-Tm",
"density": 8.522401247380959,
"density_atomic": 0.0648685854187982,
"volume": 215.82095415854334,
"volume_molar": 9.283601177858968,
"formula_full": "Eu2 Tm4 O8",
"formula_reduced": "EuTm2O4",
"formula_anonymous": "AB2C4",
"formation_energy": -3.76542365335929,
"spacegroup": 227
},
{
"id": "oqmd-322499",
"created_at": "2022-09-04T14:50:55.916057Z",
"updated_at": "2022-09-04T14:50:55.916096Z",
"structure_string": "Th2 F6\n1.0\n5.101733 0.000000 0.000000\n-2.550866 4.418231 0.000000\n0.000000 0.000000 4.294016\nF Th\n6 2\ndirect\n0.173893 0.347786 0.249999 F\n0.173891 0.826107 0.249999 F\n0.652215 0.826107 0.249999 F\n0.347787 0.173893 0.750000 F\n0.826107 0.173893 0.750000 F\n0.826105 0.652214 0.750000 F\n0.666667 0.333333 0.249999 Th\n0.333334 0.666667 0.750000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Th"
],
"chemical_system": "F-Th",
"density": 9.917383923157361,
"density_atomic": 0.08265329739999447,
"volume": 96.78984688638127,
"volume_molar": 7.286026026107947,
"formula_full": "Th2 F6",
"formula_reduced": "ThF3",
"formula_anonymous": "AB3",
"formation_energy": -3.76499661434833,
"spacegroup": 194
}
]
}