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=31",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=29",
"results": [
{
"id": "oqmd-1036518",
"created_at": "2022-09-04T15:30:19.623157Z",
"updated_at": "2022-09-04T15:30:19.623186Z",
"structure_string": "Lu2 O2 F2\n1.0\n3.791898 -0.000025 0.000000\n-0.000030 5.289430 0.000000\n0.000000 0.000000 3.627252\nF Lu O\n2 2 2\ndirect\n0.250000 0.485110 0.249999 F\n0.750001 0.514891 0.750000 F\n0.749992 0.790066 0.249999 Lu\n0.250008 0.209933 0.750000 Lu\n0.250001 0.980602 0.249999 O\n0.749999 0.019397 0.750000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 9.584784280923085,
"density_atomic": 0.08247227997387703,
"volume": 72.75171732733097,
"volume_molar": 7.302018037948634,
"formula_full": "Lu2 O2 F2",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19217240000329,
"spacegroup": 59
},
{
"id": "oqmd-1287622",
"created_at": "2022-09-04T15:42:53.210520Z",
"updated_at": "2022-09-04T15:42:53.210549Z",
"structure_string": "Lu2 O2 F2\n1.0\n3.845000 0.000000 0.000000\n0.000000 3.845000 0.000000\n0.000000 0.000000 5.310000\nF Lu O\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.222000 Lu\n0.500000 0.000000 0.778000 Lu\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 8.882564770595993,
"density_atomic": 0.07643003193141643,
"volume": 78.50317275,
"volume_molar": 7.879285940118273,
"formula_full": "Lu2 O2 F2",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.19216465500329,
"spacegroup": 129
},
{
"id": "oqmd-1365964",
"created_at": "2022-09-04T15:49:26.942508Z",
"updated_at": "2022-09-04T15:49:26.942535Z",
"structure_string": "Cs1 Ho2 F7\n1.0\n3.421578 -5.600539 0.000000\n3.421578 5.600539 0.000000\n0.000000 0.000000 4.308066\nCs F Ho\n1 7 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.699957 0.300044 0.000000 F\n0.300044 0.699957 0.000000 F\n0.332058 0.043953 0.499999 F\n0.043953 0.332058 0.499999 F\n0.500000 0.500000 0.499999 F\n0.956047 0.667943 0.499999 F\n0.667943 0.956047 0.499999 F\n0.692549 0.307452 0.499999 Ho\n0.307452 0.692549 0.499999 Ho\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"F",
"Ho"
],
"chemical_system": "Cs-F-Ho",
"density": 5.991673180533462,
"density_atomic": 0.0605663477169219,
"volume": 165.10818923304592,
"volume_molar": 9.943047561901189,
"formula_full": "Cs1 Ho2 F7",
"formula_reduced": "CsHo2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.19134304905844,
"spacegroup": 65
},
{
"id": "oqmd-1016700",
"created_at": "2022-09-04T15:27:44.764092Z",
"updated_at": "2022-09-04T15:27:44.764117Z",
"structure_string": "Tm4 O4 F4\n1.0\n7.456480 0.000000 0.000000\n0.000000 3.713306 0.000000\n0.000000 0.000000 5.290042\nF O Tm\n4 4 4\ndirect\n0.606718 0.750000 0.013726 F\n0.106718 0.750000 0.486274 F\n0.893282 0.250001 0.513726 F\n0.393282 0.250001 0.986274 F\n0.860550 0.250001 0.015841 O\n0.360551 0.250001 0.484159 O\n0.639449 0.750000 0.515841 O\n0.139449 0.750000 0.984159 O\n0.127827 0.250001 0.211760 Tm\n0.627827 0.250001 0.288240 Tm\n0.372173 0.750000 0.711760 Tm\n0.872173 0.750000 0.788240 Tm\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 9.247850036991025,
"density_atomic": 0.0819270900073335,
"volume": 146.47169817609597,
"volume_molar": 7.350609864772377,
"formula_full": "Tm4 O4 F4",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -4.18969390000329,
"spacegroup": 62
},
{
"id": "oqmd-1016702",
"created_at": "2022-09-04T15:27:45.934396Z",
"updated_at": "2022-09-04T15:27:45.934409Z",
"structure_string": "Lu4 O4 F4\n1.0\n7.371320 0.000000 0.000000\n0.000000 3.685474 0.000000\n0.000000 0.000000 5.237459\nF Lu O\n4 4 4\ndirect\n0.605864 0.749998 0.016936 F\n0.105864 0.749998 0.483064 F\n0.894136 0.249998 0.516936 F\n0.394136 0.249998 0.983064 F\n0.128008 0.249998 0.210316 Lu\n0.628008 0.249998 0.289684 Lu\n0.371993 0.749998 0.710316 Lu\n0.871993 0.749998 0.789684 Lu\n0.860216 0.249998 0.017214 O\n0.360216 0.249998 0.482786 O\n0.639784 0.749998 0.517215 O\n0.139784 0.749998 0.982786 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Lu",
"O"
],
"chemical_system": "F-Lu-O",
"density": 9.801585554871112,
"density_atomic": 0.08433774661764097,
"volume": 142.28504413811257,
"volume_molar": 7.140504698687722,
"formula_full": "Lu4 O4 F4",
"formula_reduced": "LuOF",
"formula_anonymous": "ABC",
"formation_energy": -4.18908584416995,
"spacegroup": 62
},
{
"id": "oqmd-311820",
"created_at": "2022-09-04T14:50:20.590275Z",
"updated_at": "2022-09-04T14:50:20.590286Z",
"structure_string": "Ce1 F3\n1.0\n0.000000 2.863247 2.863247\n2.863247 0.000000 2.863247\n2.863247 2.863247 0.000000\nCe F\n1 3\ndirect\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 F\n0.249999 0.249999 0.249999 F\n0.500001 0.500001 0.500001 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"F"
],
"chemical_system": "Ce-F",
"density": 6.971945471789222,
"density_atomic": 0.085202738295547,
"volume": 46.94684795370073,
"volume_molar": 7.068013165387594,
"formula_full": "Ce1 F3",
"formula_reduced": "CeF3",
"formula_anonymous": "AB3",
"formation_energy": -4.18886605122333,
"spacegroup": 225
},
{
"id": "oqmd-1744400",
"created_at": "2022-09-04T16:02:38.795000Z",
"updated_at": "2022-09-04T16:02:38.795029Z",
"structure_string": "K1 Lu2 F7\n1.0\n3.319998 -5.265557 0.000000\n3.319998 5.265557 0.000000\n0.000000 0.000000 4.121642\nF K Lu\n7 1 2\ndirect\n0.716614 0.283386 0.000000 F\n0.283386 0.716614 0.000000 F\n0.326474 0.052159 0.500000 F\n0.052159 0.326474 0.500000 F\n0.500000 0.500000 0.500000 F\n0.947841 0.673526 0.500000 F\n0.673526 0.947841 0.500000 F\n0.000000 0.000000 0.000000 K\n0.696059 0.303941 0.500000 Lu\n0.303941 0.696059 0.500000 Lu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"K",
"Lu"
],
"chemical_system": "F-K-Lu",
"density": 6.015265080144689,
"density_atomic": 0.06939330896673025,
"volume": 144.10611266274063,
"volume_molar": 8.678272948314426,
"formula_full": "K1 Lu2 F7",
"formula_reduced": "KLu2F7",
"formula_anonymous": "AB2C7",
"formation_energy": -4.188239068891773,
"spacegroup": 65
},
{
"id": "oqmd-1347694",
"created_at": "2022-09-04T15:46:21.136207Z",
"updated_at": "2022-09-04T15:46:21.136225Z",
"structure_string": "Ho4 O4 F4\n1.0\n5.479268 0.000000 0.000000\n0.000000 5.430030 0.000000\n-0.893550 0.000000 5.411569\nF Ho O\n4 4 4\ndirect\n0.940733 0.672946 0.157708 F\n0.059267 0.172946 0.342292 F\n0.940733 0.827054 0.657708 F\n0.059267 0.327054 0.842292 F\n0.304531 0.473387 0.214271 Ho\n0.695469 0.973387 0.285729 Ho\n0.304531 0.026613 0.714271 Ho\n0.695469 0.526613 0.785729 Ho\n0.540947 0.246753 0.010174 O\n0.459053 0.746753 0.489826 O\n0.540947 0.253247 0.510174 O\n0.459053 0.753247 0.989826 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Ho",
"O"
],
"chemical_system": "F-Ho-O",
"density": 8.247740830828901,
"density_atomic": 0.07453036940090012,
"volume": 161.0081916467071,
"volume_molar": 8.08011661341272,
"formula_full": "Ho4 O4 F4",
"formula_reduced": "HoOF",
"formula_anonymous": "ABC",
"formation_energy": -4.18702650194773,
"spacegroup": 14
},
{
"id": "oqmd-297489",
"created_at": "2022-09-04T14:49:40.056687Z",
"updated_at": "2022-09-04T14:49:40.056714Z",
"structure_string": "Nd1 F3\n1.0\n-1.858386 1.858386 3.211618\n1.858386 -1.858386 3.211618\n1.858386 1.858386 -3.211618\nF Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 F\n0.750001 0.250000 0.500001 F\n0.250000 0.750001 0.500001 F\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Nd"
],
"chemical_system": "F-Nd",
"density": 7.531849948888249,
"density_atomic": 0.09015799946985263,
"volume": 44.36655675060242,
"volume_molar": 6.6795412447163995,
"formula_full": "Nd1 F3",
"formula_reduced": "NdF3",
"formula_anonymous": "AB3",
"formation_energy": -4.18624003059833,
"spacegroup": 139
},
{
"id": "oqmd-1443906",
"created_at": "2022-09-04T15:50:35.213077Z",
"updated_at": "2022-09-04T15:50:35.213095Z",
"structure_string": "Pr1 F3\n1.0\n-2.081187 2.093909 2.613259\n2.081187 -2.093909 2.613259\n2.081187 2.093909 -2.613259\nF Pr\n3 1\ndirect\n0.000000 0.000000 0.000000 F\n0.749535 0.249535 0.500000 F\n0.250465 0.750466 0.500001 F\n0.500000 0.500000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 7.214227156248595,
"density_atomic": 0.08781094222158929,
"volume": 45.552409515275144,
"volume_molar": 6.858075551453758,
"formula_full": "Pr1 F3",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.18547941872333,
"spacegroup": 139
},
{
"id": "oqmd-1287646",
"created_at": "2022-09-04T15:42:52.588060Z",
"updated_at": "2022-09-04T15:42:52.588096Z",
"structure_string": "Er2 O2 F2\n1.0\n3.896000 0.000000 0.000000\n0.000000 3.896000 0.000000\n0.000000 0.000000 5.393000\nEr F O\n2 2 2\ndirect\n0.000000 0.500000 0.222000 Er\n0.500000 0.000000 0.778000 Er\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"F",
"O"
],
"chemical_system": "Er-F-O",
"density": 8.205667500783802,
"density_atomic": 0.07329644880378659,
"volume": 81.859354688,
"volume_molar": 8.216142607565033,
"formula_full": "Er2 O2 F2",
"formula_reduced": "ErOF",
"formula_anonymous": "ABC",
"formation_energy": -4.18430683833662,
"spacegroup": 129
},
{
"id": "oqmd-1287645",
"created_at": "2022-09-04T15:42:52.779196Z",
"updated_at": "2022-09-04T15:42:52.779224Z",
"structure_string": "Er2 O2 F2\n1.0\n3.896000 0.000000 0.000000\n0.000000 3.896000 0.000000\n0.000000 0.000000 5.393000\nEr F O\n2 2 2\ndirect\n0.000000 0.500000 0.222000 Er\n0.500000 0.000000 0.778000 Er\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"F",
"O"
],
"chemical_system": "Er-F-O",
"density": 8.205667500783802,
"density_atomic": 0.07329644880378659,
"volume": 81.859354688,
"volume_molar": 8.216142607565033,
"formula_full": "Er2 O2 F2",
"formula_reduced": "ErOF",
"formula_anonymous": "ABC",
"formation_energy": -4.18418689833662,
"spacegroup": 129
}
]
}