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=-density&page=3583",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3581",
"results": [
{
"id": "jvasp-18414",
"created_at": "2022-09-04T14:35:58.832702Z",
"updated_at": "2022-09-04T14:35:58.832728Z",
"structure_string": "Ti1 H2\n1.0\n2.738596 -0.042544 -1.498220\n-1.766042 2.571349 -0.125051\n-0.029220 0.042544 3.121492\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.250000 0.750000 H\n0.500002 0.750001 0.250001 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.806451554780709,
"density_atomic": 0.13786084765112985,
"volume": 21.761073220670955,
"volume_molar": 4.368274867451568,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.485919444444445,
"spacegroup": 225
},
{
"id": "jvasp-64616",
"created_at": "2022-09-04T14:36:01.808454Z",
"updated_at": "2022-09-04T14:36:01.808480Z",
"structure_string": "Ba4 Li1 Ga1\n1.0\n0.000000 5.149360 5.149360\n5.149360 -0.000000 5.149360\n5.149360 5.149360 -0.000000\nBa Li Ga\n4 1 1\ndirect\n0.128816 0.623728 0.623728 Ba\n0.623728 0.623728 0.623728 Ba\n0.623728 0.128816 0.623728 Ba\n0.623728 0.623728 0.128816 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ga"
],
"chemical_system": "Ba-Ga-Li",
"density": 3.8063984157035438,
"density_atomic": 0.021971590156680477,
"volume": 273.07991625611567,
"volume_molar": 27.408761573722344,
"formula_full": "Ba4 Li1 Ga1",
"formula_reduced": "Ba4LiGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0053036566666666,
"spacegroup": 216
},
{
"id": "jvasp-37747",
"created_at": "2022-09-04T14:38:15.538397Z",
"updated_at": "2022-09-04T14:38:15.538426Z",
"structure_string": "Na3 Tl1\n1.0\n4.922280 0.000000 0.000000\n0.000000 4.922280 0.000000\n-0.000000 -0.000000 4.922280\nNa Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.8060402368672146,
"density_atomic": 0.033539844720961845,
"volume": 119.26113651623635,
"volume_molar": 17.955183782458786,
"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00653,
"spacegroup": 221
},
{
"id": "jvasp-8148",
"created_at": "2022-09-04T14:37:03.750001Z",
"updated_at": "2022-09-04T14:37:03.750022Z",
"structure_string": "Rb2 O2\n1.0\n3.787479 0.000000 1.717228\n1.578091 4.582013 1.554802\n-0.024481 -0.007251 5.089397\nRb O\n2 2\ndirect\n0.746416 0.253584 0.253584 Rb\n0.253584 0.746416 0.746416 Rb\n0.000000 0.627250 0.372750 O\n0.000000 0.372750 0.627250 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 3.8060341443324774,
"density_atomic": 0.04517809373365415,
"volume": 88.53848556740482,
"volume_molar": 13.329780569103507,
"formula_full": "Rb2 O2",
"formula_reduced": "RbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0618333749999999,
"spacegroup": 71
},
{
"id": "jvasp-120281",
"created_at": "2022-09-04T14:38:46.864383Z",
"updated_at": "2022-09-04T14:38:46.864406Z",
"structure_string": "Li1 Cu1\n1.0\n3.828808 0.000000 -0.000000\n-1.914404 3.315845 0.000000\n0.000000 0.000000 2.422323\nLi Cu\n1 1\ndirect\n0.333334 0.666668 0.000000 Li\n0.666666 0.333334 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Cu"
],
"chemical_system": "Cu-Li",
"density": 3.8059954234167965,
"density_atomic": 0.06503395003235347,
"volume": 30.75316813764239,
"volume_molar": 9.259995367041476,
"formula_full": "Li1 Cu1",
"formula_reduced": "LiCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.4523516666666667,
"spacegroup": 187
},
{
"id": "jvasp-52006",
"created_at": "2022-09-04T14:37:39.043175Z",
"updated_at": "2022-09-04T14:37:39.043185Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.972399 -0.003105 0.002189\n-1.987214 5.464954 0.021550\n-0.000770 -0.455082 6.366037\nHg C S N\n1 2 2 2\ndirect\n0.995188 -0.000440 0.000303 Hg\n0.733281 0.475819 0.774503 C\n0.256915 0.523290 0.226086 C\n0.866238 0.743449 0.669298 S\n0.123926 0.255663 0.331298 S\n0.636600 0.281462 0.844078 N\n0.353618 0.717641 0.156493 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Hg-N-S",
"density": 3.8059101748760757,
"density_atomic": 0.05065056239292462,
"volume": 138.20182184152472,
"volume_molar": 11.88958320597292,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036555871428572,
"spacegroup": 12
},
{
"id": "jvasp-108981",
"created_at": "2022-09-04T14:37:56.414196Z",
"updated_at": "2022-09-04T14:37:56.414218Z",
"structure_string": "K2 Lu1 Au1 Cl6\n1.0\n6.428448 -0.000000 3.711466\n2.142816 6.060799 3.711466\n-0.000000 -0.000000 7.422933\nK Lu Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Au\n0.756627 0.243373 0.243373 Cl\n0.243373 0.243373 0.756627 Cl\n0.243373 0.756627 0.756627 Cl\n0.243373 0.756627 0.243373 Cl\n0.756627 0.243373 0.756627 Cl\n0.756628 0.756627 0.243373 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Lu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Lu",
"density": 3.8058494201902384,
"density_atomic": 0.03457709019887244,
"volume": 289.2088357488827,
"volume_molar": 17.416563179154917,
"formula_full": "K2 Lu1 Au1 Cl6",
"formula_reduced": "K2LuAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37199",
"created_at": "2022-09-04T14:38:04.549975Z",
"updated_at": "2022-09-04T14:38:04.550005Z",
"structure_string": "Mg3 Mo1\n1.0\n4.192164 -0.000000 -0.000000\n-0.000000 4.192164 -0.000000\n0.000000 0.000000 4.192164\nMg Mo\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 3.805819877685439,
"density_atomic": 0.05429316992342088,
"volume": 73.6740920753365,
"volume_molar": 11.091893821071924,
"formula_full": "Mg3 Mo1",
"formula_reduced": "Mg3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9285132625,
"spacegroup": 221
},
{
"id": "jvasp-29783",
"created_at": "2022-09-04T14:38:06.845626Z",
"updated_at": "2022-09-04T14:38:06.845653Z",
"structure_string": "Ni1 H2 O2\n1.0\n3.367314 -0.000379 0.000124\n-1.683985 2.916749 0.000000\n0.000125 0.000072 4.118972\nNi H O\n1 2 2\ndirect\n0.999957 0.999979 0.979906 Ni\n0.666725 0.333364 0.028936 H\n0.333365 0.666682 0.438221 H\n0.666585 0.333292 0.787873 O\n0.333368 0.666684 0.198795 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.805602239542306,
"density_atomic": 0.12360234604694074,
"volume": 40.45230660995009,
"volume_molar": 4.872189689435957,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.22817188,
"spacegroup": 156
},
{
"id": "jvasp-18390",
"created_at": "2022-09-04T14:38:08.661228Z",
"updated_at": "2022-09-04T14:38:08.661253Z",
"structure_string": "Ti1 H2\n1.0\n2.714210 0.000000 1.567051\n0.904737 2.558983 1.567051\n0.000000 0.000000 3.134100\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.8051950284525624,
"density_atomic": 0.13781533918157463,
"volume": 21.768259018304462,
"volume_molar": 4.369717330278964,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4860394444444447,
"spacegroup": 225
},
{
"id": "jvasp-70779",
"created_at": "2022-09-04T14:35:56.718705Z",
"updated_at": "2022-09-04T14:35:56.718730Z",
"structure_string": "Be1 Cu1 P2\n1.0\n2.938019 0.000000 0.000000\n-0.000000 2.938019 -0.000000\n0.000000 -0.000000 6.799920\nBe Cu P\n1 1 2\ndirect\n0.000000 0.000000 0.528983 Be\n0.500000 0.500000 0.711347 Cu\n0.000000 0.000000 0.903989 P\n0.500000 0.500000 0.355681 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"P"
],
"chemical_system": "Be-Cu-P",
"density": 3.80519399279,
"density_atomic": 0.06814703861442692,
"volume": 58.696607825203266,
"volume_molar": 8.83698086144729,
"formula_full": "Be1 Cu1 P2",
"formula_reduced": "BeCuP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9107543875,
"spacegroup": 99
},
{
"id": "jvasp-29750",
"created_at": "2022-09-04T14:37:13.087629Z",
"updated_at": "2022-09-04T14:37:13.087655Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.973256 -0.000332 -0.000016\n-1.987033 5.445417 -0.434872\n0.000029 0.074281 6.383516\nHg C S N\n1 2 2 2\ndirect\n0.002176 0.998920 -0.000555 Hg\n0.740306 0.474940 0.773638 C\n0.264436 0.522900 0.225238 C\n0.873898 0.742522 0.668476 S\n0.130876 0.255321 0.330403 S\n0.643251 0.280609 0.843183 N\n0.361456 0.717231 0.155694 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Hg-N-S",
"density": 3.8049108659988615,
"density_atomic": 0.050637263193965776,
"volume": 138.2381186990011,
"volume_molar": 11.892705845756753,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036558728571428,
"spacegroup": 12
}
]
}