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=density&page=45",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=43",
"results": [
{
"id": "oqmd-1602938",
"created_at": "2022-09-04T16:00:00.463382Z",
"updated_at": "2022-09-04T16:00:00.463408Z",
"structure_string": "B1 H5\n1.0\n2.631405 0.000000 0.000000\n-1.315702 2.278863 0.000000\n0.000000 0.000000 4.832655\nB H\n1 5\ndirect\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.9082509039857932,
"density_atomic": 0.20704252018232158,
"volume": 28.979554512360078,
"volume_molar": 2.9086492739254255,
"formula_full": "B1 H5",
"formula_reduced": "BH5",
"formula_anonymous": "AB5",
"formation_energy": 1.137626293179854,
"spacegroup": 191
},
{
"id": "oqmd-686161",
"created_at": "2022-09-04T15:39:32.875660Z",
"updated_at": "2022-09-04T15:39:32.875692Z",
"structure_string": "K4\n1.0\n4.656500 0.000000 0.000000\n-2.328250 4.032713 0.000000\n0.000000 0.000000 15.219590\nK\n4\ndirect\n0.000000 0.000000 0.000000 K\n0.666686 0.333376 0.250000 K\n0.000000 0.000000 0.499999 K\n0.333312 0.666623 0.750000 K\n",
"nsites": 4,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9086718784325329,
"density_atomic": 0.013995876952362072,
"volume": 285.7984543315754,
"volume_molar": 43.02796302437947,
"formula_full": "K4",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0003964325,
"spacegroup": 194
},
{
"id": "oqmd-1106370",
"created_at": "2022-09-04T15:35:27.839013Z",
"updated_at": "2022-09-04T15:35:27.839033Z",
"structure_string": "Na1 Li1\n1.0\n0.000000 3.012353 3.012353\n3.012353 0.000000 3.012353\n3.012353 3.012353 0.000000\nLi Na\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Na\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Na"
],
"chemical_system": "Li-Na",
"density": 0.9091161904869627,
"density_atomic": 0.036583260637124825,
"volume": 54.66981250901383,
"volume_molar": 16.461465312604503,
"formula_full": "Na1 Li1",
"formula_reduced": "NaLi",
"formula_anonymous": "AB",
"formation_energy": 0.127163599574176,
"spacegroup": 225
},
{
"id": "oqmd-305464",
"created_at": "2022-09-04T14:59:40.541773Z",
"updated_at": "2022-09-04T14:59:40.541795Z",
"structure_string": "K1 Li1\n1.0\n4.380933 0.000000 0.000000\n0.000000 4.380933 0.000000\n0.000000 0.000000 4.380933\nK Li\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 Li\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9092388317893277,
"density_atomic": 0.02378647907933236,
"volume": 84.08138057463762,
"volume_molar": 25.317495455779873,
"formula_full": "K1 Li1",
"formula_reduced": "KLi",
"formula_anonymous": "AB",
"formation_energy": 0.1780973025,
"spacegroup": 221
},
{
"id": "oqmd-1444241",
"created_at": "2022-09-04T15:50:34.499246Z",
"updated_at": "2022-09-04T15:50:34.499272Z",
"structure_string": "Ca2 S2\n1.0\n3.944117 0.000000 0.000000\n0.001135 3.944218 0.000000\n0.482981 0.752897 16.937807\nCa S\n2 2\ndirect\n0.759813 0.765255 0.420825 Ca\n0.240186 0.234744 0.579175 Ca\n0.260733 0.266728 0.412723 S\n0.739267 0.733271 0.587276 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"S"
],
"chemical_system": "Ca-S",
"density": 0.9092962729651193,
"density_atomic": 0.01518071094972953,
"volume": 263.49227076688834,
"volume_molar": 39.66968859325587,
"formula_full": "Ca2 S2",
"formula_reduced": "CaS",
"formula_anonymous": "AB",
"formation_energy": -2.11216090200668,
"spacegroup": 12
},
{
"id": "oqmd-1216051",
"created_at": "2022-09-04T15:39:06.049513Z",
"updated_at": "2022-09-04T15:39:06.049540Z",
"structure_string": "K3\n1.0\n-2.336403 -4.046770 0.000000\n4.672807 0.000000 -0.000000\n2.336403 1.348923 11.326884\nK\n3\ndirect\n0.000000 0.000000 0.000000 K\n0.777798 0.222203 0.333392 K\n0.222203 0.777798 0.666609 K\n",
"nsites": 3,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9093507060649842,
"density_atomic": 0.014006332638557665,
"volume": 214.18882996833725,
"volume_molar": 42.99584277630111,
"formula_full": "K3",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.00050675833333,
"spacegroup": 166
},
{
"id": "oqmd-1214537",
"created_at": "2022-09-04T15:16:22.019996Z",
"updated_at": "2022-09-04T15:16:22.020023Z",
"structure_string": "K1\n1.0\n0.000000 3.291500 -3.291500\n3.291500 0.000000 3.291500\n0.000000 -3.291500 -3.291500\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9103227536758698,
"density_atomic": 0.01402130466429842,
"volume": 71.32003932175,
"volume_molar": 42.94993158043135,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0004788550000001,
"spacegroup": 225
},
{
"id": "oqmd-1215160",
"created_at": "2022-09-04T15:39:05.934739Z",
"updated_at": "2022-09-04T15:39:05.934767Z",
"structure_string": "K1\n1.0\n2.612465 2.612465 -2.612465\n2.612465 -2.612465 2.612465\n-2.612465 -2.612465 -2.612465\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9103230477114745,
"density_atomic": 0.014021309193200703,
"volume": 71.32001628527856,
"volume_molar": 42.949917707543975,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0006914049999999,
"spacegroup": 229
},
{
"id": "oqmd-1215695",
"created_at": "2022-09-04T15:39:07.332723Z",
"updated_at": "2022-09-04T15:39:07.332756Z",
"structure_string": "K1\n1.0\n0.000000 -4.543382 0.000000\n-4.543382 0.000000 0.000000\n2.271691 2.271691 -3.455038\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9103232555629271,
"density_atomic": 0.014021312394646048,
"volume": 71.32000000098735,
"volume_molar": 42.949907900914596,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0014283050000001,
"spacegroup": 139
},
{
"id": "oqmd-1215338",
"created_at": "2022-09-04T15:39:06.408265Z",
"updated_at": "2022-09-04T15:39:06.408292Z",
"structure_string": "K2\n1.0\n4.663584 0.000000 0.000000\n-2.331792 4.038782 0.000000\n0.000000 0.000000 7.573055\nK\n2\ndirect\n0.333333 0.666666 0.250000 K\n0.666666 0.333333 0.750000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9103232630329589,
"density_atomic": 0.01402131250970369,
"volume": 142.63999883148355,
"volume_molar": 42.94990754847147,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0002597150000001,
"spacegroup": 194
},
{
"id": "oqmd-1224511",
"created_at": "2022-09-04T15:39:14.880975Z",
"updated_at": "2022-09-04T15:39:14.880989Z",
"structure_string": "K2 Al2\n1.0\n2.777625 -4.810986 0.000000\n2.777625 4.810986 0.000000\n0.000000 0.000000 9.019419\nAl K\n2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666667 0.499987 Al\n0.000000 0.000000 0.375013 K\n0.333332 0.666667 0.875012 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"K"
],
"chemical_system": "Al-K",
"density": 0.9103990646336798,
"density_atomic": 0.01659371884994589,
"volume": 241.0550664484136,
"volume_molar": 36.2916885265875,
"formula_full": "K2 Al2",
"formula_reduced": "KAl",
"formula_anonymous": "AB",
"formation_energy": 1.1064005,
"spacegroup": 186
},
{
"id": "oqmd-1241635",
"created_at": "2022-09-04T15:41:37.358489Z",
"updated_at": "2022-09-04T15:41:37.358518Z",
"structure_string": "K4 Pd2\n1.0\n4.919173 2.840086 8.032976\n-4.919173 2.840086 8.032976\n0.000000 -5.680172 8.032976\nK Pd\n4 2\ndirect\n0.625000 0.625000 0.125001 K\n0.625000 0.125001 0.625000 K\n0.125001 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Pd"
],
"chemical_system": "K-Pd",
"density": 0.9105389629856235,
"density_atomic": 0.008910456271741758,
"volume": 673.3661910252727,
"volume_molar": 67.58509975632069,
"formula_full": "K4 Pd2",
"formula_reduced": "K2Pd",
"formula_anonymous": "AB2",
"formation_energy": 0.28975598,
"spacegroup": 227
}
]
}