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=-created_at&page=4458",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4456",
"results": [
{
"id": "jvasp-65635",
"created_at": "2022-09-04T14:35:46.885913Z",
"updated_at": "2022-09-04T14:35:46.885930Z",
"structure_string": "Ba2 Mg1 Ga1\n1.0\n0.000000 4.187741 4.187741\n4.187741 0.000000 4.187741\n4.187741 4.187741 -0.000000\nBa Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 4.168037279694056,
"density_atomic": 0.027232690719828246,
"volume": 146.88229088900061,
"volume_molar": 22.11364577212068,
"formula_full": "Ba2 Mg1 Ga1",
"formula_reduced": "Ba2MgGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96778",
"created_at": "2022-09-04T14:35:46.874146Z",
"updated_at": "2022-09-04T14:35:46.874170Z",
"structure_string": "Ce4 Ni14 P8\n1.0\n3.783435 0.000000 0.000000\n0.000000 9.155554 0.000000\n0.000000 0.000000 10.368713\nCe Ni P\n4 14 8\ndirect\n0.000000 0.059856 0.001893 Ce\n0.499999 0.940143 0.501893 Ce\n0.000000 0.441197 0.778256 Ce\n0.499999 0.558803 0.278256 Ce\n0.499999 0.186778 0.766256 Ni\n0.000000 0.813221 0.266257 Ni\n0.499999 0.220272 0.166501 Ni\n0.000000 0.779728 0.666501 Ni\n0.499999 0.244263 0.398773 Ni\n0.499999 0.559014 0.974521 Ni\n0.000000 0.755737 0.898773 Ni\n0.499999 0.599796 0.577721 Ni\n0.000000 0.400204 0.077721 Ni\n0.499999 0.808062 0.064818 Ni\n0.000000 0.191937 0.564818 Ni\n0.499999 0.921633 0.811972 Ni\n0.000000 0.078367 0.311972 Ni\n0.000000 0.440985 0.474521 Ni\n0.000000 0.689578 0.464874 P\n0.000000 0.028604 0.719432 P\n0.499999 0.971396 0.219432 P\n0.000000 0.315616 0.282447 P\n0.499999 0.684384 0.782447 P\n0.000000 0.655578 0.087844 P\n0.499999 0.344422 0.587844 P\n0.499999 0.310421 0.964873 P\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"P"
],
"chemical_system": "Ce-Ni-P",
"density": 7.535823826018044,
"density_atomic": 0.07238983533768023,
"volume": 359.1664475919387,
"volume_molar": 8.319041937183917,
"formula_full": "Ce4 Ni14 P8",
"formula_reduced": "Ce2Ni7P4",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.158350753846154,
"spacegroup": 31
},
{
"id": "jvasp-18545",
"created_at": "2022-09-04T14:35:46.868738Z",
"updated_at": "2022-09-04T14:35:46.868769Z",
"structure_string": "La1 B2 Ru3\n1.0\n2.805537 -4.859334 0.000000\n2.805537 4.859334 -0.000000\n-0.000000 0.000000 3.039520\nLa B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333334 0.000000 B\n0.333334 0.666667 0.000000 B\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"B",
"Ru"
],
"chemical_system": "B-La-Ru",
"density": 9.291664784017275,
"density_atomic": 0.07239748805731501,
"volume": 82.87580358105757,
"volume_molar": 8.318162579387346,
"formula_full": "La1 B2 Ru3",
"formula_reduced": "LaB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.433531944444445,
"spacegroup": 191
},
{
"id": "jvasp-68285",
"created_at": "2022-09-04T14:35:46.866293Z",
"updated_at": "2022-09-04T14:35:46.866313Z",
"structure_string": "Ti1 Be1 V2\n1.0\n-1.857283 1.857283 3.794638\n1.857283 -1.857283 3.794638\n1.857283 1.857283 -3.794638\nTi Be V\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Ti\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.499999 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"V"
],
"chemical_system": "Be-Ti-V",
"density": 5.035117927577435,
"density_atomic": 0.07639650332734656,
"volume": 52.358417280705275,
"volume_molar": 7.882743970880591,
"formula_full": "Ti1 Be1 V2",
"formula_reduced": "TiBeV2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.603558208333333,
"spacegroup": 119
},
{
"id": "jvasp-16189",
"created_at": "2022-09-04T14:35:46.864128Z",
"updated_at": "2022-09-04T14:35:46.864153Z",
"structure_string": "Pr1 Ga1 O3\n1.0\n4.615352 0.000000 -0.000000\n-0.000000 4.615352 -0.000000\n-0.000000 0.000000 4.615352\nPr Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"O"
],
"chemical_system": "Ga-O-Pr",
"density": 4.368291173123558,
"density_atomic": 0.050857559654127034,
"volume": 98.31380101609447,
"volume_molar": 11.84119096739104,
"formula_full": "Pr1 Ga1 O3",
"formula_reduced": "PrGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5390265349999996,
"spacegroup": 221
},
{
"id": "jvasp-69068",
"created_at": "2022-09-04T14:35:46.862545Z",
"updated_at": "2022-09-04T14:35:46.862572Z",
"structure_string": "Ba1 Y1 Pd2\n1.0\n4.303460 0.000000 -0.000000\n0.000000 4.303460 -0.000000\n0.000000 0.000000 6.105982\nBa Y Pd\n1 1 2\ndirect\n0.500000 0.500000 0.874944 Ba\n0.000000 0.000000 0.375003 Y\n0.000000 0.000000 0.875120 Pd\n0.500000 0.500000 0.374933 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Pd"
],
"chemical_system": "Ba-Pd-Y",
"density": 6.447548533326603,
"density_atomic": 0.03537275860991405,
"volume": 113.08136987876614,
"volume_molar": 17.024798168588845,
"formula_full": "Ba1 Y1 Pd2",
"formula_reduced": "BaYPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.363728205,
"spacegroup": 123
},
{
"id": "jvasp-67251",
"created_at": "2022-09-04T14:35:46.860706Z",
"updated_at": "2022-09-04T14:35:46.860731Z",
"structure_string": "Hf1 Be1 Si1\n1.0\n-1.510832 1.510832 4.822901\n1.510832 -1.510832 4.822901\n1.510832 1.510832 -4.822901\nHf Be Si\n1 1 1\ndirect\n0.338568 0.338568 0.000000 Hf\n0.024468 0.024468 0.000000 Be\n0.636964 0.636964 0.000000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Si"
],
"chemical_system": "Be-Hf-Si",
"density": 8.129659429651479,
"density_atomic": 0.06812720417830924,
"volume": 44.03527249038584,
"volume_molar": 8.839553644735311,
"formula_full": "Hf1 Be1 Si1",
"formula_reduced": "HfBeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0836059,
"spacegroup": 107
},
{
"id": "jvasp-85913",
"created_at": "2022-09-04T14:35:46.853305Z",
"updated_at": "2022-09-04T14:35:46.853335Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333691 -0.006469 -1.555629\n-2.674103 4.614917 -1.555629\n-0.003222 -0.005583 6.094405\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500001 Li\n0.000000 0.500000 0.000000 Li\n0.948432 0.051569 0.750001 B\n0.698431 0.301569 0.250000 B\n0.301570 0.698432 0.750001 B\n0.051570 0.948432 0.250000 B\n0.258542 0.008542 0.017084 Ir\n0.741459 0.991459 0.982917 Ir\n0.008543 0.258543 0.517085 Ir\n0.991459 0.741458 0.482916 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"Ir"
],
"chemical_system": "B-Ir-Li",
"density": 9.309261171802047,
"density_atomic": 0.08009994023056001,
"volume": 149.8128458705356,
"volume_molar": 7.5182837124045845,
"formula_full": "Li4 B4 Ir4",
"formula_reduced": "LiBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7247678944444447,
"spacegroup": 70
},
{
"id": "jvasp-86041",
"created_at": "2022-09-04T14:35:46.851445Z",
"updated_at": "2022-09-04T14:35:46.851469Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.3660826340932863,
"density_atomic": 0.04095800371652666,
"volume": 244.15252435667352,
"volume_molar": 14.703208685852166,
"formula_full": "Ba2 Al4 Si4",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.936663754,
"spacegroup": 63
},
{
"id": "jvasp-48888",
"created_at": "2022-09-04T14:35:46.850896Z",
"updated_at": "2022-09-04T14:35:46.850922Z",
"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.056707 0.026572\n5.138301 0.000000 0.000000\n0.000000 -5.046197 -7.689993\nLi V F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.267474 0.532114 0.262757 Li\n0.732527 0.032114 0.237243 Li\n0.500000 0.500000 0.000000 Li\n0.267473 0.967886 0.762757 Li\n0.732526 0.467886 0.737243 Li\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.269077 0.323811 0.440423 F\n0.730923 0.823810 0.059577 F\n0.076927 0.817601 0.414886 F\n0.368791 0.594675 0.734621 F\n0.631209 0.405324 0.265379 F\n0.076927 0.682399 0.914886 F\n0.269077 0.176189 0.940423 F\n0.730923 0.676189 0.559577 F\n0.923073 0.317601 0.085114 F\n0.368791 0.905324 0.234621 F\n0.923073 0.182399 0.585113 F\n0.631208 0.094675 0.765379 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0981773216054176,
"density_atomic": 0.10044234638279935,
"volume": 199.11920340627347,
"volume_molar": 5.995619354658252,
"formula_full": "Li6 V2 F12",
"formula_reduced": "Li3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3577155895000001,
"spacegroup": 14
},
{
"id": "jvasp-74999",
"created_at": "2022-09-04T14:35:46.845259Z",
"updated_at": "2022-09-04T14:35:46.845272Z",
"structure_string": "Be2 Cu1 Se1\n1.0\n3.202206 0.000000 0.000000\n0.000000 3.202206 0.000000\n0.000000 0.000000 4.897492\nBe Cu Se\n2 1 1\ndirect\n0.000000 0.000000 0.767248 Be\n0.000000 0.000000 0.232752 Be\n0.500001 0.500001 0.000000 Cu\n0.500001 0.500001 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Se"
],
"chemical_system": "Be-Cu-Se",
"density": 5.308037945090514,
"density_atomic": 0.07965035618010037,
"volume": 50.21948666438417,
"volume_molar": 7.560720439696609,
"formula_full": "Be2 Cu1 Se1",
"formula_reduced": "Be2CuSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2318015041666666,
"spacegroup": 123
},
{
"id": "jvasp-66644",
"created_at": "2022-09-04T14:35:46.841811Z",
"updated_at": "2022-09-04T14:35:46.841836Z",
"structure_string": "Ba4 Tl1 Tc1\n1.0\n0.000000 4.831551 4.831551\n4.831551 -0.000000 4.831551\n4.831551 4.831551 -0.000000\nBa Tl Tc\n4 1 1\ndirect\n0.126833 0.624388 0.624388 Ba\n0.624388 0.624388 0.624388 Ba\n0.624388 0.126833 0.624388 Ba\n0.624388 0.624388 0.126833 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Tc"
],
"chemical_system": "Ba-Tc-Tl",
"density": 6.269625618222311,
"density_atomic": 0.026598769764456662,
"volume": 225.57434246517917,
"volume_molar": 22.640674036162572,
"formula_full": "Ba4 Tl1 Tc1",
"formula_reduced": "Ba4TlTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8775446633333331,
"spacegroup": 216
}
]
}