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=4146",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4144",
"results": [
{
"id": "jvasp-68780",
"created_at": "2022-09-04T14:35:57.226437Z",
"updated_at": "2022-09-04T14:35:57.226457Z",
"structure_string": "Ca1 Be2 Nb1\n1.0\n3.270860 0.000000 -0.000000\n-0.000000 3.270860 -0.000000\n0.000000 -0.000000 6.311393\nCa Be Nb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.673158 Be\n0.000000 0.000000 0.326841 Be\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Nb"
],
"chemical_system": "Be-Ca-Nb",
"density": 3.7136592955978185,
"density_atomic": 0.059239427938030116,
"volume": 67.52259667639545,
"volume_molar": 10.165764541649041,
"formula_full": "Ca1 Be2 Nb1",
"formula_reduced": "CaBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.235060505,
"spacegroup": 123
},
{
"id": "jvasp-48671",
"created_at": "2022-09-04T14:35:57.225240Z",
"updated_at": "2022-09-04T14:35:57.225253Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.198678 0.017671 -0.002931\n0.149140 5.197417 0.012974\n0.052951 0.032016 6.316043\nLi Co Si O\n3 2 2 8\ndirect\n0.187530 0.187189 0.248861 Li\n0.685535 0.314402 0.499981 Li\n0.812912 0.812352 0.751164 Li\n0.182351 0.174237 0.758231 Co\n0.825869 0.817548 0.241722 Co\n0.673335 0.326572 0.999995 Si\n0.318946 0.681156 0.500012 Si\n0.799193 0.194407 0.218393 O\n0.805409 0.200651 0.781582 O\n0.364758 0.271022 0.997369 O\n0.287759 0.363172 0.507945 O\n0.729210 0.635032 0.002629 O\n0.637017 0.712082 0.492053 O\n0.186496 0.812044 0.289474 O\n0.188169 0.813657 0.710574 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.141793656753522,
"density_atomic": 0.08790458133178038,
"volume": 170.63957046089712,
"volume_molar": 6.850770083609737,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.6905998,
"spacegroup": 5
},
{
"id": "jvasp-98267",
"created_at": "2022-09-04T14:35:57.224855Z",
"updated_at": "2022-09-04T14:35:57.224872Z",
"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.527774408393434,
"density_atomic": 0.08531560931393177,
"volume": 351.63553587961184,
"volume_molar": 7.058662310950178,
"formula_full": "Ti4 Fe2 P4 O20",
"formula_reduced": "Ti2Fe(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.237647877777778,
"spacegroup": 14
},
{
"id": "jvasp-47990",
"created_at": "2022-09-04T14:35:57.224401Z",
"updated_at": "2022-09-04T14:35:57.224426Z",
"structure_string": "Li8 Mn4 F16\n1.0\n2.941253 0.000000 0.000000\n-0.000000 9.234757 0.000000\n0.000000 0.000000 10.129333\nLi Mn F\n8 4 16\ndirect\n0.749999 0.079773 0.391880 Li\n0.749999 0.059665 0.880630 Li\n0.250000 0.440335 0.380630 Li\n0.250000 0.420227 0.891880 Li\n0.749999 0.579773 0.108119 Li\n0.749999 0.559665 0.619370 Li\n0.250000 0.940336 0.119370 Li\n0.250000 0.920228 0.608119 Li\n0.250000 0.747846 0.345112 Mn\n0.749999 0.752154 0.845112 Mn\n0.250000 0.247846 0.154888 Mn\n0.749999 0.252154 0.654888 Mn\n0.749999 0.876726 0.456475 F\n0.749999 0.803039 0.188819 F\n0.250000 0.696962 0.688818 F\n0.250000 0.623274 0.956475 F\n0.749999 0.600486 0.435260 F\n0.250000 0.553407 0.222290 F\n0.749999 0.446593 0.777710 F\n0.749999 0.100486 0.064740 F\n0.749999 0.376726 0.043525 F\n0.749999 0.303038 0.311181 F\n0.250000 0.196962 0.811181 F\n0.250000 0.123274 0.543525 F\n0.250000 0.899515 0.935259 F\n0.250000 0.053407 0.277710 F\n0.250000 0.399515 0.564740 F\n0.749999 0.946594 0.722290 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4960682976756225,
"density_atomic": 0.1017698952268047,
"volume": 275.1304787884385,
"volume_molar": 5.917408823679182,
"formula_full": "Li8 Mn4 F16",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4230440530541869,
"spacegroup": 62
},
{
"id": "jvasp-71140",
"created_at": "2022-09-04T14:35:57.220457Z",
"updated_at": "2022-09-04T14:35:57.220486Z",
"structure_string": "Ca1 Be2 Tc1\n1.0\n2.998272 -3.415573 0.000000\n2.998272 3.415573 0.000000\n0.000000 0.000000 2.716700\nCa Be Tc\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tc"
],
"chemical_system": "Be-Ca-Tc",
"density": 4.658566488296397,
"density_atomic": 0.07188755486633076,
"volume": 55.64245448934359,
"volume_molar": 8.377167329168026,
"formula_full": "Ca1 Be2 Tc1",
"formula_reduced": "CaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.27836103,
"spacegroup": 65
},
{
"id": "jvasp-14670",
"created_at": "2022-09-04T14:35:57.220419Z",
"updated_at": "2022-09-04T14:35:57.220440Z",
"structure_string": "Si1\n1.0\n1.346367 -2.331976 0.000000\n1.346367 2.331976 -0.000000\n-0.000000 0.000000 2.504817\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.9650889391049566,
"density_atomic": 0.06357794222420762,
"volume": 15.728725482707505,
"volume_molar": 9.472059883226354,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.4286099999999999,
"spacegroup": 191
},
{
"id": "jvasp-61455",
"created_at": "2022-09-04T14:35:57.218811Z",
"updated_at": "2022-09-04T14:35:57.218833Z",
"structure_string": "Sc6 Al16 Ru7\n1.0\n0.000000 6.190384 6.190384\n6.190384 -0.000000 6.190384\n6.190384 6.190384 0.000000\nSc Al Ru\n6 16 7\ndirect\n0.709911 0.290088 0.709911 Sc\n0.709911 0.290088 0.290088 Sc\n0.290088 0.709911 0.709911 Sc\n0.290088 0.290088 0.709911 Sc\n0.709911 0.709911 0.290088 Sc\n0.290088 0.709911 0.290088 Sc\n0.010232 0.663255 0.663255 Al\n0.663255 0.010232 0.663255 Al\n0.663255 0.663255 0.663255 Al\n0.989767 0.336744 0.336744 Al\n0.120172 0.639484 0.120172 Al\n0.336744 0.336744 0.336744 Al\n0.120172 0.120172 0.120172 Al\n0.120172 0.120172 0.639484 Al\n0.639484 0.120172 0.120172 Al\n0.879828 0.879828 0.879828 Al\n0.336744 0.336744 0.989767 Al\n0.663255 0.663255 0.010232 Al\n0.879828 0.360515 0.879828 Al\n0.879828 0.879828 0.360515 Al\n0.360515 0.879828 0.879828 Al\n0.336744 0.989767 0.336744 Al\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Sc",
"density": 4.931235872430251,
"density_atomic": 0.06112448775465259,
"volume": 474.44160377102907,
"volume_molar": 9.852255587273394,
"formula_full": "Sc6 Al16 Ru7",
"formula_reduced": "Sc6Al16Ru7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.2631958551724143,
"spacegroup": 225
},
{
"id": "jvasp-96736",
"created_at": "2022-09-04T14:35:57.211825Z",
"updated_at": "2022-09-04T14:35:57.211853Z",
"structure_string": "Si2\n1.0\n3.364158 -0.000000 1.942298\n1.121386 3.171759 1.942298\n-0.000000 -0.000000 3.884595\nSi\n2\ndirect\n0.875001 0.875000 0.875001 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.2502923346377885,
"density_atomic": 0.0482511516441613,
"volume": 41.44978786722934,
"volume_molar": 12.480822850429764,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 2.9999999999752447e-05,
"spacegroup": 227
},
{
"id": "jvasp-70687",
"created_at": "2022-09-04T14:35:57.210309Z",
"updated_at": "2022-09-04T14:35:57.210328Z",
"structure_string": "K1 Be2 Fe1\n1.0\n-2.205134 2.205134 3.427487\n2.205134 -2.205134 3.427487\n2.205134 2.205134 -3.427487\nK Be Fe\n1 2 1\ndirect\n0.749999 0.250000 0.499999 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-K",
"density": 2.8138274833796277,
"density_atomic": 0.060000409267999384,
"volume": 66.66621192754697,
"volume_molar": 10.03683280409197,
"formula_full": "K1 Be2 Fe1",
"formula_reduced": "KBe2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.886623925,
"spacegroup": 119
},
{
"id": "jvasp-74038",
"created_at": "2022-09-04T14:35:57.199090Z",
"updated_at": "2022-09-04T14:35:57.199116Z",
"structure_string": "K1 Be1 Pt2\n1.0\n3.131797 -0.000000 0.000000\n-0.000000 3.131797 -0.000000\n0.000000 -0.000000 7.557822\nK Be Pt\n1 1 2\ndirect\n0.500001 0.500001 0.748315 K\n0.000000 0.000000 0.378446 Be\n0.000000 0.000000 0.063395 Pt\n0.500001 0.500001 0.309843 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pt"
],
"chemical_system": "Be-K-Pt",
"density": 9.817827097231161,
"density_atomic": 0.05396051979325818,
"volume": 74.12827035998566,
"volume_molar": 11.160271960079237,
"formula_full": "K1 Be1 Pt2",
"formula_reduced": "KBePt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5105942250000002,
"spacegroup": 99
},
{
"id": "jvasp-94979",
"created_at": "2022-09-04T14:35:57.197766Z",
"updated_at": "2022-09-04T14:35:57.197787Z",
"structure_string": "Y1 Ti2 Ga4\n1.0\n5.319127 -0.013521 -1.367880\n-3.200585 4.248477 -1.367880\n0.006764 0.013521 5.492191\nY Ti Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Ti\n0.249999 0.750000 0.500000 Ti\n0.696886 0.303115 0.000000 Ga\n0.696885 0.696886 0.393772 Ga\n0.303114 0.303114 0.606227 Ga\n0.303114 0.696886 0.000000 Ga\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti-Y",
"density": 6.203713669762289,
"density_atomic": 0.05641844433531105,
"volume": 124.07289996152652,
"volume_molar": 10.674063829567302,
"formula_full": "Y1 Ti2 Ga4",
"formula_reduced": "Y(TiGa2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3594502023809525,
"spacegroup": 139
},
{
"id": "jvasp-98046",
"created_at": "2022-09-04T14:35:57.192737Z",
"updated_at": "2022-09-04T14:35:57.192760Z",
"structure_string": "Rb8 Zr6 Te32\n1.0\n11.074563 0.013943 -1.335587\n-4.800679 9.979960 -1.335587\n-0.006386 -0.010172 15.112276\nRb Zr Te\n8 6 32\ndirect\n0.747764 0.448985 0.429039 Rb\n0.551015 0.252236 0.070961 Rb\n0.252236 0.551015 0.570961 Rb\n0.448985 0.747764 0.929039 Rb\n0.245446 0.969844 0.368135 Rb\n0.030156 0.754554 0.131865 Rb\n0.754554 0.030156 0.631865 Rb\n0.969844 0.245446 0.868135 Rb\n0.106683 0.893317 0.750000 Zr\n0.893317 0.106683 0.250000 Zr\n0.432329 0.210162 0.728504 Zr\n0.567671 0.789837 0.271496 Zr\n0.210162 0.432329 0.228503 Zr\n0.789837 0.567671 0.771496 Zr\n0.402103 0.882077 0.159584 Te\n0.623618 0.081441 0.285506 Te\n0.081441 0.623618 0.785506 Te\n0.376382 0.918559 0.714494 Te\n0.117923 0.597897 0.340416 Te\n0.882076 0.402103 0.659584 Te\n0.168172 0.526719 0.055268 Te\n0.455849 0.575271 0.378602 Te\n0.424729 0.544151 0.121398 Te\n0.544150 0.424729 0.621398 Te\n0.575270 0.455849 0.878602 Te\n0.473281 0.831827 0.444732 Te\n0.918558 0.376382 0.214494 Te\n0.597897 0.117923 0.840416 Te\n0.637350 0.734078 0.741440 Te\n0.847619 0.911706 0.376125 Te\n0.362649 0.265922 0.258559 Te\n0.734078 0.637350 0.241440 Te\n0.911705 0.847619 0.876126 Te\n0.152381 0.088294 0.623874 Te\n0.088294 0.152381 0.123874 Te\n0.526718 0.168172 0.555268 Te\n0.198165 0.904818 0.946507 Te\n0.095181 0.801834 0.553493 Te\n0.801834 0.095182 0.053493 Te\n0.904818 0.198166 0.446506 Te\n0.249277 0.156411 0.875177 Te\n0.843589 0.750722 0.624822 Te\n0.750722 0.843589 0.124822 Te\n0.156410 0.249277 0.375177 Te\n0.265922 0.362650 0.758559 Te\n0.831827 0.473281 0.944732 Te\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Rb",
"Zr",
"Te"
],
"chemical_system": "Rb-Te-Zr",
"density": 5.281094978191493,
"density_atomic": 0.02752883016397253,
"volume": 1670.9754728408698,
"volume_molar": 21.87575979120712,
"formula_full": "Rb8 Zr6 Te32",
"formula_reduced": "Rb4Zr3Te16",
"formula_anonymous": "A3B4C16",
"energy_above_hull": 1.284614250724638,
"spacegroup": 15
}
]
}