HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3599",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3597",
"results": [
{
"id": "jvasp-18624",
"created_at": "2022-09-04T14:36:05.565467Z",
"updated_at": "2022-09-04T14:36:05.565488Z",
"structure_string": "U1 Sn1 Au2\n1.0\n4.330551 -0.000000 2.500244\n1.443517 4.082882 2.500244\n-0.000000 -0.000000 5.000488\nU Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.499999 U\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n0.750001 0.750000 0.749999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Sn",
"Au"
],
"chemical_system": "Au-Sn-U",
"density": 14.098631739855188,
"density_atomic": 0.04524156460406936,
"volume": 88.41427203072925,
"volume_molar": 13.311079784049564,
"formula_full": "U1 Sn1 Au2",
"formula_reduced": "USnAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.74006071,
"spacegroup": 225
},
{
"id": "jvasp-70545",
"created_at": "2022-09-04T14:36:05.533216Z",
"updated_at": "2022-09-04T14:36:05.533241Z",
"structure_string": "Be2 Tl1 Cr1\n1.0\n3.861651 0.000000 0.000000\n0.000000 3.861651 -0.000000\n0.000000 0.000000 3.511037\nBe Tl Cr\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cr"
],
"chemical_system": "Be-Cr-Tl",
"density": 8.702774140975803,
"density_atomic": 0.07639739358321035,
"volume": 52.35780715009981,
"volume_molar": 7.882652113570887,
"formula_full": "Be2 Tl1 Cr1",
"formula_reduced": "Be2TlCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0976605500000005,
"spacegroup": 123
},
{
"id": "jvasp-15271",
"created_at": "2022-09-04T14:36:05.618069Z",
"updated_at": "2022-09-04T14:36:05.618094Z",
"structure_string": "K2 Fe2 S4\n1.0\n5.038978 0.009708 -1.070246\n-1.964221 5.495175 -2.866792\n0.036191 -0.009038 6.501708\nK Fe S\n2 2 4\ndirect\n0.750000 0.641874 0.358125 K\n0.250000 0.358125 0.641874 K\n0.250000 -0.000267 0.000267 Fe\n0.750000 0.000268 -0.000268 Fe\n0.401286 0.916826 0.698169 S\n0.098714 0.301831 0.083173 S\n0.901286 0.698169 0.916827 S\n0.598714 0.083173 0.301831 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Fe",
"S"
],
"chemical_system": "Fe-K-S",
"density": 2.931405201193115,
"density_atomic": 0.044390440764808865,
"volume": 180.21898098254772,
"volume_molar": 13.56630088875832,
"formula_full": "K2 Fe2 S4",
"formula_reduced": "KFeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3538208749999998,
"spacegroup": 15
},
{
"id": "jvasp-74135",
"created_at": "2022-09-04T14:36:05.628944Z",
"updated_at": "2022-09-04T14:36:05.628960Z",
"structure_string": "Be1 V2 Co1\n1.0\n2.901145 0.000000 0.000000\n0.000000 2.901145 -0.000000\n0.000000 0.000000 5.418304\nBe V Co\n1 2 1\ndirect\n0.000000 0.000000 0.519783 Be\n0.000000 0.000000 0.990156 V\n0.499999 0.499999 0.267184 V\n0.499999 0.499999 0.722875 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Co"
],
"chemical_system": "Be-Co-V",
"density": 6.1838239605653085,
"density_atomic": 0.08771174522489672,
"volume": 45.60392670039601,
"volume_molar": 6.865831644962678,
"formula_full": "Be1 V2 Co1",
"formula_reduced": "BeV2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.432976350000001,
"spacegroup": 99
},
{
"id": "jvasp-68706",
"created_at": "2022-09-04T14:36:05.589716Z",
"updated_at": "2022-09-04T14:36:05.589736Z",
"structure_string": "Li1 Be1 Se2\n1.0\n-1.727029 1.727029 5.905632\n1.727029 -1.727029 5.905632\n1.727029 1.727029 -5.905632\nLi Be Se\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Se"
],
"chemical_system": "Be-Li-Se",
"density": 4.097850089177677,
"density_atomic": 0.05677202148157536,
"volume": 70.45724100731817,
"volume_molar": 10.607585572682856,
"formula_full": "Li1 Be1 Se2",
"formula_reduced": "LiBeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2662732083333332,
"spacegroup": 119
},
{
"id": "jvasp-74406",
"created_at": "2022-09-04T14:36:05.603144Z",
"updated_at": "2022-09-04T14:36:05.603167Z",
"structure_string": "Hf2 Be1 Mo1\n1.0\n-2.299136 2.299136 3.252384\n2.299136 -2.299136 3.252384\n2.299136 2.299136 -3.252384\nHf Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.499999 0.499999 0.000000 Hf\n0.750000 0.250000 0.500001 Be\n0.250000 0.750000 0.500001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Mo"
],
"chemical_system": "Be-Hf-Mo",
"density": 11.154142452120244,
"density_atomic": 0.0581659546958976,
"volume": 68.76875005168817,
"volume_molar": 10.353377317513088,
"formula_full": "Hf2 Be1 Mo1",
"formula_reduced": "Hf2BeMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6853445,
"spacegroup": 225
},
{
"id": "jvasp-71260",
"created_at": "2022-09-04T14:36:05.612869Z",
"updated_at": "2022-09-04T14:36:05.612886Z",
"structure_string": "Na2 Hf1 Be1\n1.0\n3.090440 0.000000 0.000000\n0.000000 3.090440 0.000000\n0.000000 -0.000000 9.668571\nNa Hf Be\n2 1 1\ndirect\n0.000000 0.000000 0.979500 Na\n0.500000 0.500000 0.312615 Na\n0.500000 0.500000 0.676112 Hf\n0.000000 0.000000 0.531772 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hf",
"Be"
],
"chemical_system": "Be-Hf-Na",
"density": 4.198547385906841,
"density_atomic": 0.04331687002058253,
"volume": 92.34277541519856,
"volume_molar": 13.90252979298483,
"formula_full": "Na2 Hf1 Be1",
"formula_reduced": "Na2HfBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.557774275,
"spacegroup": 99
},
{
"id": "jvasp-70071",
"created_at": "2022-09-04T14:36:00.842297Z",
"updated_at": "2022-09-04T14:36:00.842325Z",
"structure_string": "Be2 Tl1 Mo1\n1.0\n3.214588 -0.000000 -0.000000\n0.000000 3.214588 -0.000000\n0.000000 -0.000000 5.795343\nBe Tl Mo\n2 1 1\ndirect\n0.000000 0.000000 0.826742 Be\n0.000000 0.000000 0.173257 Be\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Mo"
],
"chemical_system": "Be-Mo-Tl",
"density": 8.827159653440479,
"density_atomic": 0.0667928858587532,
"volume": 59.886617393037824,
"volume_molar": 9.016140989528449,
"formula_full": "Be2 Tl1 Mo1",
"formula_reduced": "Be2TlMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3561101750000004,
"spacegroup": 123
},
{
"id": "jvasp-99655",
"created_at": "2022-09-04T14:36:05.648604Z",
"updated_at": "2022-09-04T14:36:05.648629Z",
"structure_string": "Mn1 Ni1 Se2\n1.0\n3.705055 -0.000000 0.000000\n-1.852528 3.208671 0.000000\n0.000000 0.000000 5.693836\nMn Ni Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.237154 Se\n0.333333 0.666666 0.762847 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"Se"
],
"chemical_system": "Mn-Ni-Se",
"density": 6.6615671986455,
"density_atomic": 0.05909288439441833,
"volume": 67.69004493505183,
"volume_molar": 10.19097446624018,
"formula_full": "Mn1 Ni1 Se2",
"formula_reduced": "MnNiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.937196593678161,
"spacegroup": 164
},
{
"id": "jvasp-71300",
"created_at": "2022-09-04T14:36:00.841686Z",
"updated_at": "2022-09-04T14:36:00.841712Z",
"structure_string": "Be1 Sn2 P1\n1.0\n3.186245 -0.000000 -0.000000\n0.000000 3.186245 0.000000\n0.000000 0.000000 8.480411\nBe Sn P\n1 2 1\ndirect\n-0.000000 -0.000000 0.635002 Be\n-0.000000 -0.000000 0.955930 Sn\n0.500001 0.500001 0.293694 Sn\n0.500001 0.500001 0.615373 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"P"
],
"chemical_system": "Be-P-Sn",
"density": 5.3504415661006375,
"density_atomic": 0.04646059386578655,
"volume": 86.09446559282121,
"volume_molar": 12.961824761423655,
"formula_full": "Be1 Sn2 P1",
"formula_reduced": "BeSn2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4618362500000002,
"spacegroup": 99
},
{
"id": "jvasp-70349",
"created_at": "2022-09-04T14:36:05.668212Z",
"updated_at": "2022-09-04T14:36:05.668238Z",
"structure_string": "Ca1 Be2 Ru1\n1.0\n-1.937328 1.937328 3.896892\n1.937328 -1.937328 3.896892\n1.937328 1.937328 -3.896892\nCa Be Ru\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n0.750000 0.250000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Ru"
],
"chemical_system": "Be-Ca-Ru",
"density": 4.517852960511803,
"density_atomic": 0.06837153331614025,
"volume": 58.503880284570606,
"volume_molar": 8.807965051996826,
"formula_full": "Ca1 Be2 Ru1",
"formula_reduced": "CaBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.04579828,
"spacegroup": 119
},
{
"id": "jvasp-70862",
"created_at": "2022-09-04T14:36:05.692686Z",
"updated_at": "2022-09-04T14:36:05.692703Z",
"structure_string": "Ti2 Be1 Ga1\n1.0\n2.818813 0.000000 0.000000\n0.000000 2.818813 0.000000\n0.000000 0.000000 7.242714\nTi Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.988810 Ti\n0.499999 0.499999 0.281286 Ti\n0.000000 0.000000 0.516670 Be\n0.499999 0.499999 0.713233 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Ti",
"density": 5.03424044827926,
"density_atomic": 0.06950661259981165,
"volume": 57.54848136579798,
"volume_molar": 8.664126382726813,
"formula_full": "Ti2 Be1 Ga1",
"formula_reduced": "Ti2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.240811272916667,
"spacegroup": 99
}
]
}