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=3531",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3529",
"results": [
{
"id": "jvasp-65500",
"created_at": "2022-09-04T14:36:07.363743Z",
"updated_at": "2022-09-04T14:36:07.363763Z",
"structure_string": "Ba1 Sc2 Be1\n1.0\n3.324468 0.000000 0.000000\n0.000000 3.324671 0.000000\n0.000000 0.000000 9.119370\nBa Sc Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.658419 Sc\n0.000000 0.000000 0.341581 Sc\n0.500000 0.500000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Be"
],
"chemical_system": "Ba-Be-Sc",
"density": 3.892127826692685,
"density_atomic": 0.03968481156242142,
"volume": 100.79422939197484,
"volume_molar": 15.174925929855043,
"formula_full": "Ba1 Sc2 Be1",
"formula_reduced": "BaSc2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7512281424999998,
"spacegroup": 123
},
{
"id": "jvasp-35977",
"created_at": "2022-09-04T14:37:12.963926Z",
"updated_at": "2022-09-04T14:37:12.963960Z",
"structure_string": "Zr1 B6\n1.0\n4.053404 0.000000 -0.000000\n0.000000 4.053404 -0.000000\n-0.000000 -0.000000 4.053404\nZr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.197462 0.500000 0.500000 B\n0.500000 0.500000 0.802537 B\n0.500000 0.500000 0.197462 B\n0.500000 0.197462 0.500000 B\n0.500000 0.802537 0.500000 B\n0.802537 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.8919253616094323,
"density_atomic": 0.10510862742128153,
"volume": 66.59776815411726,
"volume_molar": 5.729444773227708,
"formula_full": "Zr1 B6",
"formula_reduced": "ZrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 5.075757142857143,
"spacegroup": 221
},
{
"id": "jvasp-116328",
"created_at": "2022-09-04T14:38:42.464608Z",
"updated_at": "2022-09-04T14:38:42.464648Z",
"structure_string": "Mg1 V1 O3\n1.0\n3.746440 0.000000 -0.000000\n0.000000 3.746440 0.000000\n-0.000000 -0.000000 3.746440\nMg V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 V\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.8918940105051023,
"density_atomic": 0.09508536092165487,
"volume": 52.584330032881994,
"volume_molar": 6.333404744566216,
"formula_full": "Mg1 V1 O3",
"formula_reduced": "MgVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81172275,
"spacegroup": 221
},
{
"id": "jvasp-35193",
"created_at": "2022-09-04T14:38:29.833360Z",
"updated_at": "2022-09-04T14:38:29.833396Z",
"structure_string": "Sr2 Ge2 P4 O16\n1.0\n-0.000000 -5.127950 0.000000\n-7.363408 2.563976 3.453617\n0.003268 0.000000 -7.916021\nSr Ge P O\n2 2 4 16\ndirect\n0.801290 -0.000000 0.250000 Sr\n0.198710 -0.000000 0.750000 Sr\n-0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 -0.000000 Ge\n0.594527 0.707276 0.736503 P\n0.887252 0.292724 0.763496 P\n0.405472 0.292724 0.263496 P\n0.112748 0.707276 0.236503 P\n0.824065 0.103014 0.608842 O\n0.721051 0.896986 0.891158 O\n0.039924 0.548245 0.292090 O\n0.491679 0.451755 0.207909 O\n0.960076 0.451755 0.707909 O\n0.508320 0.548245 0.792090 O\n0.372433 0.701885 0.131307 O\n0.865409 0.673874 0.095203 O\n0.627566 0.298115 0.868693 O\n0.329450 0.701885 0.631307 O\n0.278949 0.103014 0.108842 O\n0.191536 0.326126 0.404797 O\n0.134590 0.326126 0.904796 O\n0.808463 0.673874 0.595203 O\n0.670549 0.298115 0.368693 O\n0.175934 0.896986 0.391158 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ge",
"P",
"O"
],
"chemical_system": "Ge-O-P-Sr",
"density": 3.8918234316459808,
"density_atomic": 0.08030928460695022,
"volume": 298.84464937598216,
"volume_molar": 7.498685599645878,
"formula_full": "Sr2 Ge2 P4 O16",
"formula_reduced": "SrGe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.3852392716666664,
"spacegroup": 15
},
{
"id": "jvasp-71130",
"created_at": "2022-09-04T14:36:14.768825Z",
"updated_at": "2022-09-04T14:36:14.768858Z",
"structure_string": "Be2 P1 Se1\n1.0\n3.242639 -2.651387 0.000000\n3.242639 2.651387 0.000000\n0.000000 0.000000 3.175170\nBe P Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 -0.000000 0.500000 P\n-0.000000 0.500000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Se"
],
"chemical_system": "Be-P-Se",
"density": 3.8917798571563496,
"density_atomic": 0.07326411177615248,
"volume": 54.59699030026326,
"volume_molar": 8.2197690165135,
"formula_full": "Be2 P1 Se1",
"formula_reduced": "Be2PSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1523627666666667,
"spacegroup": 65
},
{
"id": "jvasp-99602",
"created_at": "2022-09-04T14:36:37.818181Z",
"updated_at": "2022-09-04T14:36:37.818199Z",
"structure_string": "Pm1 Mg2 Sc1\n1.0\n4.538807 -0.000000 2.620482\n1.512936 4.279229 2.620482\n-0.000000 0.000000 5.240963\nPm Mg Sc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.249999 Mg\n0.750001 0.750000 0.749998 Mg\n0.500001 0.500000 0.499999 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Mg",
"Sc"
],
"chemical_system": "Mg-Pm-Sc",
"density": 3.8916981541569156,
"density_atomic": 0.03929539453711094,
"volume": 101.79309934710955,
"volume_molar": 15.325309316623946,
"formula_full": "Pm1 Mg2 Sc1",
"formula_reduced": "PmMg2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.60669363125,
"spacegroup": 225
},
{
"id": "jvasp-35522",
"created_at": "2022-09-04T14:37:46.844750Z",
"updated_at": "2022-09-04T14:37:46.844766Z",
"structure_string": "Ti2 V1 S4\n1.0\n0.000000 3.377239 0.000000\n0.005111 0.000000 5.995608\n5.791335 -1.688620 -2.942066\nTi V S\n2 1 4\ndirect\n0.255432 0.277603 0.510863 Ti\n0.744569 0.722397 0.489138 Ti\n0.000000 0.000000 0.000000 V\n0.117073 0.447255 0.234146 S\n0.882927 0.552745 0.765855 S\n0.372044 0.036094 0.744088 S\n0.627957 0.963906 0.255913 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"S"
],
"chemical_system": "S-Ti-V",
"density": 3.891510169950514,
"density_atomic": 0.05966728710682527,
"volume": 117.31721583834634,
"volume_molar": 10.09286839071176,
"formula_full": "Ti2 V1 S4",
"formula_reduced": "Ti2VS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.992214409523809,
"spacegroup": 12
},
{
"id": "jvasp-118277",
"created_at": "2022-09-04T14:38:50.791421Z",
"updated_at": "2022-09-04T14:38:50.791436Z",
"structure_string": "Rb1 In1 F1\n1.0\n5.060817 2.075775 0.000000\n2.803934 6.564875 0.000000\n0.000000 0.000000 3.415164\nRb In F\n1 1 1\ndirect\n-0.017779 0.457870 0.000000 Rb\n-0.044006 -0.037611 0.000000 In\n0.377303 -0.051405 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"In",
"F"
],
"chemical_system": "F-In-Rb",
"density": 3.890828570718275,
"density_atomic": 0.03205582115637644,
"volume": 93.58674623760965,
"volume_molar": 18.786418637109524,
"formula_full": "Rb1 In1 F1",
"formula_reduced": "RbInF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-117991",
"created_at": "2022-09-04T14:38:30.247519Z",
"updated_at": "2022-09-04T14:38:30.247543Z",
"structure_string": "Ca1 Ti1 O3\n1.0\n3.871314 0.000000 -0.000000\n-0.000000 3.871314 -0.000000\n0.000000 0.000000 3.871314\nCa Ti O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.89073267069181,
"density_atomic": 0.08617768233546767,
"volume": 58.0196619878483,
"volume_molar": 6.988051426768878,
"formula_full": "Ca1 Ti1 O3",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5909378506666665,
"spacegroup": 221
},
{
"id": "jvasp-9852",
"created_at": "2022-09-04T14:38:08.623904Z",
"updated_at": "2022-09-04T14:38:08.623927Z",
"structure_string": "Ca4 Al2 Ni2 O10\n1.0\n5.267970 0.001006 -0.000157\n-0.001022 5.649601 -0.002659\n-2.633362 -2.821683 7.052308\nCa Al Ni O\n4 2 2 10\ndirect\n0.101326 0.571560 0.212303 Ca\n0.388745 0.858971 0.787099 Ca\n0.888732 0.428483 0.787093 Ca\n0.601340 0.141073 0.212293 Ca\n0.205558 0.169002 0.499678 Al\n0.705579 0.831045 0.499718 Al\n0.508030 0.500022 0.999696 Ni\n0.008028 0.000021 0.999695 Ni\n0.770244 0.774225 0.035801 O\n0.734143 0.225823 0.963587 O\n0.884758 0.787409 0.712737 O\n0.171718 0.212632 0.286655 O\n0.868962 0.109387 0.499701 O\n0.671825 0.574354 0.286756 O\n0.368958 0.890655 0.499692 O\n0.270244 0.761916 0.035804 O\n0.384756 0.425690 0.712637 O\n0.234147 0.238119 0.963593 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ca-Ni-O",
"density": 3.8904925397346304,
"density_atomic": 0.08577619149956778,
"volume": 209.84844028766074,
"volume_molar": 7.020760253770822,
"formula_full": "Ca4 Al2 Ni2 O10",
"formula_reduced": "Ca2AlNiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.5346003933333334,
"spacegroup": 46
},
{
"id": "jvasp-116148",
"created_at": "2022-09-04T14:38:41.894962Z",
"updated_at": "2022-09-04T14:38:41.894978Z",
"structure_string": "Li1 Te1 H1\n1.0\n4.567315 -0.000000 -0.000000\n-2.283658 3.955411 0.000000\n-0.000000 0.000000 3.202523\nLi Te H\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Li\n0.666668 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Te",
"H"
],
"chemical_system": "H-Li-Te",
"density": 3.8904548858687713,
"density_atomic": 0.05185330173270554,
"volume": 57.85552510165045,
"volume_molar": 11.61380386352841,
"formula_full": "Li1 Te1 H1",
"formula_reduced": "LiTeH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2915959222222226,
"spacegroup": 187
},
{
"id": "jvasp-11187",
"created_at": "2022-09-04T14:37:12.132641Z",
"updated_at": "2022-09-04T14:37:12.132672Z",
"structure_string": "Rb4 Li2 As2 O8\n1.0\n5.832300 0.000000 -0.000000\n-2.916150 5.862124 -0.000000\n0.000000 -0.000000 7.909902\nRb Li As O\n4 2 2 8\ndirect\n0.057660 0.115320 0.848446 Rb\n0.942339 0.884680 0.348446 Rb\n0.603508 0.207016 0.498117 Rb\n0.396492 0.792983 0.998117 Rb\n0.796641 0.593280 0.768818 Li\n0.203359 0.406719 0.268818 Li\n0.688936 0.377871 0.055814 As\n0.311064 0.622128 0.555814 As\n0.402332 0.284393 0.161666 O\n0.597667 0.715606 0.661666 O\n0.633273 0.266547 0.852873 O\n0.366727 0.733452 0.352873 O\n0.882060 0.284393 0.161666 O\n0.117940 0.715606 0.661666 O\n0.164843 0.329686 0.523500 O\n0.835157 0.670314 0.023500 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Li",
"As",
"O"
],
"chemical_system": "As-Li-O-Rb",
"density": 3.890384710785744,
"density_atomic": 0.05916352261488318,
"volume": 270.4369059318831,
"volume_molar": 10.178806963879243,
"formula_full": "Rb4 Li2 As2 O8",
"formula_reduced": "Rb2LiAsO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.33058071875,
"spacegroup": 36
}
]
}