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=elements&page=21",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=19",
"results": [
{
"id": "oqmd-594006",
"created_at": "2022-09-04T15:15:49.731162Z",
"updated_at": "2022-09-04T15:15:49.731178Z",
"structure_string": "Be4\n1.0\n2.422163 0.000000 0.000000\n0.000000 3.630184 0.000000\n0.000000 0.000000 3.584591\nBe\n4\ndirect\n0.749983 0.250001 0.250017 Be\n0.250016 0.749998 0.250017 Be\n0.249983 0.249998 0.749982 Be\n0.750016 0.750003 0.749982 Be\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.899185685950442,
"density_atomic": 0.12690781804143722,
"volume": 31.51894076922781,
"volume_molar": 4.745287447959814,
"formula_full": "Be4",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.10316885,
"spacegroup": 229
},
{
"id": "oqmd-1215132",
"created_at": "2022-09-04T15:39:05.215550Z",
"updated_at": "2022-09-04T15:39:05.215576Z",
"structure_string": "Be1\n1.0\n1.250101 1.250101 1.250101\n1.250101 -1.250101 -1.250101\n-1.250101 1.250101 -1.250101\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.9150660271332758,
"density_atomic": 0.1279689778133204,
"volume": 7.81439390301912,
"volume_molar": 4.7059380038066925,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.09990056,
"spacegroup": 229
},
{
"id": "oqmd-593870",
"created_at": "2022-09-04T15:15:50.874804Z",
"updated_at": "2022-09-04T15:15:50.874835Z",
"structure_string": "Be2\n1.0\n2.268317 0.000000 0.000000\n-1.134159 1.964348 0.000000\n0.000000 0.000000 3.554198\nBe\n2\ndirect\n0.333312 0.666623 0.250000 Be\n0.666690 0.333378 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8899279681728811,
"density_atomic": 0.12628919671763247,
"volume": 15.836667363335604,
"volume_molar": 4.768532001565253,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0001096600000001,
"spacegroup": 194
},
{
"id": "oqmd-622128",
"created_at": "2022-09-04T15:15:51.207160Z",
"updated_at": "2022-09-04T15:15:51.207195Z",
"structure_string": "Be2\n1.0\n2.262666 0.000000 0.000000\n-1.131332 1.959482 0.000000\n0.000000 0.000000 3.568134\nBe\n2\ndirect\n0.333320 0.666640 0.249999 Be\n0.666682 0.333359 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8919347828022557,
"density_atomic": 0.12642329654142095,
"volume": 15.819869080416883,
"volume_molar": 4.763473920352111,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 194
},
{
"id": "oqmd-594008",
"created_at": "2022-09-04T15:15:50.132559Z",
"updated_at": "2022-09-04T15:15:50.132582Z",
"structure_string": "Be1\n1.0\n1.250230 1.250230 1.250230\n1.250230 -1.250230 -1.250230\n-1.250230 1.250230 -1.250230\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.914473292928747,
"density_atomic": 0.12792936999343646,
"volume": 7.816813293548667,
"volume_molar": 4.7073949948389275,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0998971100000001,
"spacegroup": 229
},
{
"id": "oqmd-1277918",
"created_at": "2022-09-04T15:42:08.703132Z",
"updated_at": "2022-09-04T15:42:08.703164Z",
"structure_string": "Be28\n1.0\n5.097597 -5.097597 0.000000\n5.097597 5.097597 0.000000\n-5.097597 0.000000 5.097597\nBe\n28\ndirect\n0.000000 0.000000 0.000000 Be\n0.698170 0.060876 0.000000 Be\n0.439126 0.198169 0.000000 Be\n0.939125 0.301831 0.000000 Be\n0.198169 0.439126 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.801832 0.560875 0.000000 Be\n0.060876 0.698170 0.000000 Be\n0.560875 0.801832 0.000000 Be\n0.301831 0.939125 0.000000 Be\n0.301831 0.301831 0.240956 Be\n0.801832 0.439124 0.240956 Be\n0.439124 0.801832 0.240956 Be\n0.939125 0.939125 0.240956 Be\n0.301831 0.060875 0.362706 Be\n0.060875 0.301831 0.362706 Be\n0.560875 0.560875 0.362706 Be\n0.801832 0.801832 0.362706 Be\n0.749999 0.249998 0.499999 Be\n0.249998 0.749999 0.499999 Be\n0.198169 0.198169 0.637291 Be\n0.439124 0.439124 0.637291 Be\n0.939124 0.698167 0.637291 Be\n0.698167 0.939124 0.637291 Be\n0.060875 0.060875 0.759043 Be\n0.560876 0.198167 0.759043 Be\n0.198167 0.560876 0.759043 Be\n0.698167 0.698167 0.759043 Be\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.5816507485165805,
"density_atomic": 0.10568942620131083,
"volume": 264.92716448916366,
"volume_molar": 5.69795955607649,
"formula_full": "Be28",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.19531056785714,
"spacegroup": 226
},
{
"id": "oqmd-622127",
"created_at": "2022-09-04T15:15:50.735255Z",
"updated_at": "2022-09-04T15:15:50.735282Z",
"structure_string": "Be2\n1.0\n2.268312 0.000000 0.000000\n-1.134156 1.964343 0.000000\n0.000000 0.000000 3.553964\nBe\n2\ndirect\n0.333312 0.666625 0.250000 Be\n0.666689 0.333374 0.749999 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8900613818800676,
"density_atomic": 0.12629811171873062,
"volume": 15.835549500962099,
"volume_molar": 4.768195405337075,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0001108499999999,
"spacegroup": 194
},
{
"id": "oqmd-1215489",
"created_at": "2022-09-04T15:39:04.887020Z",
"updated_at": "2022-09-04T15:39:04.887039Z",
"structure_string": "Be2\n1.0\n0.000000 2.447369 -2.447369\n2.447369 0.000000 2.447369\n0.000000 -2.447369 -2.447369\nBe\n2\ndirect\n0.000000 0.000000 0.000000 Be\n0.249999 0.499998 0.749997 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.020894083981582,
"density_atomic": 0.06821841677091026,
"volume": 29.317596254342295,
"volume_molar": 8.827734569424903,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 1.63614479,
"spacegroup": 227
},
{
"id": "oqmd-585400",
"created_at": "2022-09-04T15:15:51.488391Z",
"updated_at": "2022-09-04T15:15:51.488408Z",
"structure_string": "Be2\n1.0\n2.268566 -0.000035 0.000000\n-1.134313 1.964688 0.000000\n0.000000 0.000000 3.554105\nBe\n2\ndirect\n0.333374 0.666687 0.250001 Be\n0.666624 0.333312 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8894597713665013,
"density_atomic": 0.12625791076410448,
"volume": 15.840591594587087,
"volume_molar": 4.769713615213814,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0002290450000002,
"spacegroup": 194
},
{
"id": "oqmd-1214687",
"created_at": "2022-09-04T15:39:03.549024Z",
"updated_at": "2022-09-04T15:39:03.549052Z",
"structure_string": "Be4\n1.0\n-1.173606 -3.794727 0.000000\n-1.173606 3.794727 0.000000\n0.000000 0.000000 -3.547139\nBe\n4\ndirect\n0.860142 0.139861 0.004849 Be\n0.360142 0.639862 0.495151 Be\n0.639862 0.360142 0.504849 Be\n0.139861 0.860142 0.995151 Be\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8946455797943806,
"density_atomic": 0.12660443803483512,
"volume": 31.59446905723323,
"volume_molar": 4.756658497503076,
"formula_full": "Be4",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.419775535,
"spacegroup": 69
},
{
"id": "oqmd-1214954",
"created_at": "2022-09-04T15:39:03.878328Z",
"updated_at": "2022-09-04T15:39:03.878352Z",
"structure_string": "Be8\n1.0\n4.008375 0.000000 0.000000\n0.000000 4.008375 0.000000\n0.000000 0.000000 4.008375\nBe\n8\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.249999 0.000000 Be\n0.500001 0.750000 0.000000 Be\n0.000000 0.500001 0.249999 Be\n0.249999 0.000000 0.500001 Be\n0.750000 0.000000 0.500001 Be\n0.500001 0.500001 0.500001 Be\n0.000000 0.500001 0.750000 Be\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8589341411269087,
"density_atomic": 0.12421812015452662,
"volume": 64.40284227492774,
"volume_molar": 4.848037269046167,
"formula_full": "Be8",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.10562295125,
"spacegroup": 223
},
{
"id": "oqmd-594007",
"created_at": "2022-09-04T15:15:51.024132Z",
"updated_at": "2022-09-04T15:15:51.024161Z",
"structure_string": "Be2\n1.0\n2.267886 0.000000 0.000000\n-1.133943 1.963975 0.000000\n0.000000 0.000000 3.555941\nBe\n2\ndirect\n0.333311 0.666623 0.250001 Be\n0.666686 0.333375 0.750001 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8897194146096474,
"density_atomic": 0.1262752607039764,
"volume": 15.838415132545594,
"volume_molar": 4.769058267175181,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 7.65799999999928e-05,
"spacegroup": 194
}
]
}