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=473",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=471",
"results": [
{
"id": "jvasp-100392",
"created_at": "2022-09-04T14:36:37.546527Z",
"updated_at": "2022-09-04T14:36:37.546555Z",
"structure_string": "Hf1 Ti1 Mo4\n1.0\n4.584552 0.000000 2.646892\n1.528184 4.322357 2.646892\n0.000000 0.000000 5.293785\nHf Ti Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ti\n0.625115 0.625116 0.124653 Mo\n0.625115 0.124653 0.625115 Mo\n0.124652 0.625116 0.625115 Mo\n0.625115 0.625116 0.625115 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Mo"
],
"chemical_system": "Hf-Mo-Ti",
"density": 9.657804001299521,
"density_atomic": 0.05719623136062364,
"volume": 104.90201639632257,
"volume_molar": 10.528911812441374,
"formula_full": "Hf1 Ti1 Mo4",
"formula_reduced": "HfTiMo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.137947488888889,
"spacegroup": 216
},
{
"id": "jvasp-10995",
"created_at": "2022-09-04T14:36:39.384755Z",
"updated_at": "2022-09-04T14:36:39.384780Z",
"structure_string": "Mg2 Se2 O8\n1.0\n4.947814 0.005498 -0.000000\n-1.903113 4.567171 0.000000\n0.000000 0.000000 6.518990\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.353265 0.646735 0.750000 Se\n0.646735 0.353265 0.250000 Se\n0.225954 0.276336 0.750000 O\n0.774046 0.723664 0.250000 O\n0.276336 0.225954 0.250000 O\n0.723664 0.774046 0.750000 O\n0.245881 0.754119 0.963032 O\n0.754119 0.245881 0.463032 O\n0.754119 0.245881 0.036968 O\n0.245881 0.754119 0.536968 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.769085067749963,
"density_atomic": 0.08142152814406213,
"volume": 147.3811690044426,
"volume_molar": 7.39625120931752,
"formula_full": "Mg2 Se2 O8",
"formula_reduced": "MgSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.628729402777778,
"spacegroup": 63
},
{
"id": "jvasp-66515",
"created_at": "2022-09-04T14:36:19.759492Z",
"updated_at": "2022-09-04T14:36:19.759524Z",
"structure_string": "Ba4 Ni1 Pt1\n1.0\n-0.000000 4.718276 4.718276\n4.718276 -0.000000 4.718276\n4.718276 4.718276 0.000000\nBa Ni Pt\n4 1 1\ndirect\n0.124030 0.625324 0.625324 Ba\n0.625324 0.625324 0.625324 Ba\n0.625324 0.124030 0.625324 Ba\n0.625324 0.625324 0.124030 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pt"
],
"chemical_system": "Ba-Ni-Pt",
"density": 6.3479106773039,
"density_atomic": 0.028560856649000328,
"volume": 210.0777323921763,
"volume_molar": 21.085294583454957,
"formula_full": "Ba4 Ni1 Pt1",
"formula_reduced": "Ba4NiPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.62364128,
"spacegroup": 216
},
{
"id": "jvasp-100312",
"created_at": "2022-09-04T14:36:33.036684Z",
"updated_at": "2022-09-04T14:36:33.036706Z",
"structure_string": "Zr1 Ti1 Co4\n1.0\n4.139942 -0.000000 2.390197\n1.379981 3.903176 2.390197\n-0.000000 -0.000000 4.780393\nZr Ti Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624430 0.624431 0.126707 Co\n0.624430 0.126707 0.624431 Co\n0.126706 0.624431 0.624431 Co\n0.624430 0.624431 0.624431 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Co"
],
"chemical_system": "Co-Ti-Zr",
"density": 8.057498629500216,
"density_atomic": 0.07767392603072203,
"volume": 77.24599883913228,
"volume_molar": 7.753104635934187,
"formula_full": "Zr1 Ti1 Co4",
"formula_reduced": "ZrTiCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.876696072222223,
"spacegroup": 216
},
{
"id": "jvasp-69276",
"created_at": "2022-09-04T14:36:18.904799Z",
"updated_at": "2022-09-04T14:36:18.904820Z",
"structure_string": "Ba1 Zr4 Ge1\n1.0\n0.000000 4.252394 4.252394\n4.252394 -0.000000 4.252394\n4.252394 4.252394 0.000000\nBa Zr Ge\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.127904 0.624031 0.624031 Zr\n0.624031 0.624031 0.624031 Zr\n0.624031 0.127904 0.624031 Zr\n0.624031 0.624031 0.127904 Zr\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ge"
],
"chemical_system": "Ba-Ge-Zr",
"density": 6.207017483438923,
"density_atomic": 0.0390140256005007,
"volume": 153.79084592395913,
"volume_molar": 15.435835362559237,
"formula_full": "Ba1 Zr4 Ge1",
"formula_reduced": "BaZr4Ge",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.369614986666667,
"spacegroup": 216
},
{
"id": "jvasp-102098",
"created_at": "2022-09-04T14:36:34.266218Z",
"updated_at": "2022-09-04T14:36:34.266245Z",
"structure_string": "Nb1 Rh1 O4\n1.0\n4.688155 -0.004073 0.000000\n-0.050013 4.687890 0.000000\n0.000000 0.000000 3.133575\nNb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.499999 Rh\n0.196090 0.803911 0.499999 O\n0.803910 0.196090 0.499999 O\n0.305378 0.305378 0.000000 O\n0.694622 0.694622 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Rh",
"O"
],
"chemical_system": "Nb-O-Rh",
"density": 6.264532235757351,
"density_atomic": 0.08712359902877803,
"volume": 68.86767841188613,
"volume_molar": 6.912180886846526,
"formula_full": "Nb1 Rh1 O4",
"formula_reduced": "NbRhO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.012447733333333,
"spacegroup": 65
},
{
"id": "jvasp-64930",
"created_at": "2022-09-04T14:36:19.708426Z",
"updated_at": "2022-09-04T14:36:19.708451Z",
"structure_string": "Li1 Be1 Hg4\n1.0\n0.000000 4.192005 4.192005\n4.192005 -0.000000 4.192005\n4.192005 4.192005 -0.000000\nLi Be Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.624943 0.125174 0.624943 Hg\n0.125174 0.624943 0.624943 Hg\n0.624943 0.624943 0.624943 Hg\n0.624943 0.624943 0.125174 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Li",
"density": 9.223022604364985,
"density_atomic": 0.04072451105303738,
"volume": 147.3314189625488,
"volume_molar": 14.787509056050036,
"formula_full": "Li1 Be1 Hg4",
"formula_reduced": "LiBeHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-100415",
"created_at": "2022-09-04T14:36:37.401406Z",
"updated_at": "2022-09-04T14:36:37.401437Z",
"structure_string": "Ce1 Y1 Al4\n1.0\n4.857895 -0.000000 2.804707\n1.619299 4.580067 2.804707\n-0.000000 -0.000000 5.609413\nCe Y Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Y\n0.624575 0.624576 0.126274 Al\n0.624575 0.126274 0.624576 Al\n0.126274 0.624576 0.624575 Al\n0.624575 0.624576 0.624576 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Al"
],
"chemical_system": "Al-Ce-Y",
"density": 4.483060652693795,
"density_atomic": 0.048074400696114,
"volume": 124.80654804054579,
"volume_molar": 12.526710001164483,
"formula_full": "Ce1 Y1 Al4",
"formula_reduced": "CeYAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1090170250000004,
"spacegroup": 216
},
{
"id": "jvasp-66477",
"created_at": "2022-09-04T14:36:19.707275Z",
"updated_at": "2022-09-04T14:36:19.707307Z",
"structure_string": "Ba4 In1 W1\n1.0\n0.000000 4.918771 4.918771\n4.918771 -0.000000 4.918771\n4.918771 4.918771 0.000000\nBa In W\n4 1 1\ndirect\n0.124453 0.625182 0.625182 Ba\n0.625182 0.625182 0.625182 Ba\n0.625182 0.124453 0.625182 Ba\n0.625182 0.625182 0.124453 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"W"
],
"chemical_system": "Ba-In-W",
"density": 5.915994061239943,
"density_atomic": 0.02520875765143148,
"volume": 238.0125225909056,
"volume_molar": 23.88908189475189,
"formula_full": "Ba4 In1 W1",
"formula_reduced": "Ba4InW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.372543975,
"spacegroup": 216
},
{
"id": "jvasp-66478",
"created_at": "2022-09-04T14:36:19.568324Z",
"updated_at": "2022-09-04T14:36:19.568362Z",
"structure_string": "Ba4 Re1 Cl1\n1.0\n-0.000000 4.783748 4.783748\n4.783748 0.000000 4.783748\n4.783748 4.783748 0.000000\nBa Re Cl\n4 1 1\ndirect\n0.122130 0.625957 0.625957 Ba\n0.625957 0.625957 0.625957 Ba\n0.625957 0.122130 0.625957 Ba\n0.625957 0.625957 0.122130 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Cl"
],
"chemical_system": "Ba-Cl-Re",
"density": 5.847235334498798,
"density_atomic": 0.02740415237989094,
"volume": 218.9449218069148,
"volume_molar": 21.975285630140576,
"formula_full": "Ba4 Re1 Cl1",
"formula_reduced": "Ba4ReCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.26954599125,
"spacegroup": 216
},
{
"id": "jvasp-29109",
"created_at": "2022-09-04T14:36:19.706592Z",
"updated_at": "2022-09-04T14:36:19.706620Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569018 0.000000 0.000000\n-1.784509 3.090837 -0.000021\n0.000000 -0.000268 38.032257\nTe Mo W\n8 2 2\ndirect\n0.333347 0.666694 0.329536 Te\n0.333356 0.666713 0.704784 Te\n0.666655 0.333309 0.047074 Te\n0.666650 0.333298 0.421515 Te\n0.666647 0.333292 0.142301 Te\n0.666668 0.333335 0.517121 Te\n0.333324 0.666648 0.234261 Te\n0.333356 0.666713 0.609237 Te\n0.333316 0.666631 0.094642 Mo\n0.666670 0.333339 0.281902 Mo\n0.333324 0.666648 0.469322 W\n0.666691 0.333382 0.657052 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.255012565444859,
"density_atomic": 0.028602520542935866,
"volume": 419.5434448508319,
"volume_molar": 21.05458066522506,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235511161111112,
"spacegroup": 156
},
{
"id": "jvasp-64650",
"created_at": "2022-09-04T14:36:19.580287Z",
"updated_at": "2022-09-04T14:36:19.580315Z",
"structure_string": "Ba4 Ti1 Bi1\n1.0\n0.000000 5.018692 5.018692\n5.018692 -0.000000 5.018692\n5.018692 5.018692 0.000000\nBa Ti Bi\n4 1 1\ndirect\n0.126737 0.624421 0.624421 Ba\n0.624421 0.624421 0.624421 Ba\n0.624421 0.126737 0.624421 Ba\n0.624421 0.624421 0.126737 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Bi"
],
"chemical_system": "Ba-Bi-Ti",
"density": 5.2950033405962404,
"density_atomic": 0.023732835222162133,
"volume": 252.814294787548,
"volume_molar": 25.37472115584581,
"formula_full": "Ba4 Ti1 Bi1",
"formula_reduced": "Ba4TiBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7884944188888887,
"spacegroup": 216
}
]
}