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=-energy_above_hull&page=860",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=858",
"results": [
{
"id": "jvasp-78457",
"created_at": "2022-09-04T14:37:01.461931Z",
"updated_at": "2022-09-04T14:37:01.461962Z",
"structure_string": "Tl1 C1\n1.0\n3.247503 -0.000000 -0.000000\n-0.000000 3.247503 -0.000000\n-0.000000 0.000000 3.247503\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"C"
],
"chemical_system": "C-Tl",
"density": 10.491694337548564,
"density_atomic": 0.05839575971001683,
"volume": 34.249062088268936,
"volume_molar": 10.312633639676754,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy_above_hull": 3.0272463000000003,
"spacegroup": 221
},
{
"id": "jvasp-119385",
"created_at": "2022-09-04T14:38:32.091648Z",
"updated_at": "2022-09-04T14:38:32.091684Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.279620 -0.000000 0.000000\n0.000000 4.803628 -0.058555\n-0.000000 -0.455336 9.038945\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.608119 0.973030 0.888606 Na\n0.108119 0.026969 0.111394 Na\n0.242195 0.259909 0.664656 Cr\n0.742195 0.740090 0.335344 Cr\n0.234763 0.443043 0.917469 C\n0.734763 0.556956 0.082531 C\n0.743777 0.292797 0.578649 S\n0.243777 0.707203 0.421351 S\n0.748077 0.408386 0.199633 O\n0.427856 0.762872 0.325130 O\n0.056652 0.772037 0.328314 O\n0.745716 0.121213 0.438936 O\n0.238597 0.408291 0.458180 O\n0.738597 0.591709 0.541820 O\n0.248077 0.591614 0.800367 O\n0.556652 0.227962 0.671686 O\n0.927856 0.237128 0.674870 O\n0.745299 0.830508 0.122771 O\n0.245299 0.169492 0.877229 O\n0.711099 0.464635 0.952088 O\n0.245716 0.878787 0.561064 O\n0.211099 0.535364 0.047912 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Cr",
"C",
"S",
"O"
],
"chemical_system": "C-Cr-Na-O-S",
"density": 2.816081409882046,
"density_atomic": 0.08073632349705469,
"volume": 272.49197197841903,
"volume_molar": 7.4590227782909775,
"formula_full": "Na2 Cr2 C2 S2 O14",
"formula_reduced": "NaCrCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.0269537181818174,
"spacegroup": 4
},
{
"id": "jvasp-86344",
"created_at": "2022-09-04T14:35:54.296044Z",
"updated_at": "2022-09-04T14:35:54.296075Z",
"structure_string": "La2 Ir4\n1.0\n4.747449 0.000000 2.740942\n1.582483 4.475938 2.740942\n0.000000 0.000000 5.481883\nLa Ir\n2 4\ndirect\n0.874999 0.875000 0.874999 La\n0.125000 0.125000 0.125000 La\n0.500000 0.500000 0.499999 Ir\n0.500000 0.500000 -0.000000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 14.920674326788742,
"density_atomic": 0.051508288335919965,
"volume": 116.48610726238836,
"volume_molar": 11.69159557530935,
"formula_full": "La2 Ir4",
"formula_reduced": "LaIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.026575733333333,
"spacegroup": 227
},
{
"id": "jvasp-85845",
"created_at": "2022-09-04T14:36:09.916360Z",
"updated_at": "2022-09-04T14:36:09.916378Z",
"structure_string": "La2 Ir4\n1.0\n4.747450 0.000000 2.740942\n1.582483 4.475939 2.740942\n0.000000 0.000000 5.481884\nLa Ir\n2 4\ndirect\n0.874999 0.875000 0.874999 La\n0.125000 0.125000 0.125000 La\n0.500000 0.500000 0.499999 Ir\n0.500000 0.500000 -0.000000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.499999 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 14.920665128564336,
"density_atomic": 0.051508256582342045,
"volume": 116.48617907321886,
"volume_molar": 11.691602782891506,
"formula_full": "La2 Ir4",
"formula_reduced": "LaIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.026575733333333,
"spacegroup": 227
},
{
"id": "jvasp-114818",
"created_at": "2022-09-04T14:38:43.976133Z",
"updated_at": "2022-09-04T14:38:43.976151Z",
"structure_string": "Co1 Se1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nCo Se O\n1 1 1\ndirect\n0.371636 -0.058114 0.000000 Co\n0.002536 0.345929 0.000000 Se\n-0.138345 -0.078231 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se",
"density": 1.3306331737355543,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Co1 Se1 O1",
"formula_reduced": "CoSeO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.026492588888889,
"spacegroup": 6
},
{
"id": "jvasp-114009",
"created_at": "2022-09-04T14:38:43.971674Z",
"updated_at": "2022-09-04T14:38:43.971692Z",
"structure_string": "Zr1 B1 O3\n1.0\n3.435056 -0.000000 -0.000000\n-0.000000 3.435056 -0.000000\n-0.000000 -0.000000 3.435056\nZr B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"O"
],
"chemical_system": "B-O-Zr",
"density": 6.1466007570833785,
"density_atomic": 0.12335834657752585,
"volume": 40.53232017711665,
"volume_molar": 4.881826748719693,
"formula_full": "Zr1 B1 O3",
"formula_reduced": "ZrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0263695166666658,
"spacegroup": 221
},
{
"id": "jvasp-110086",
"created_at": "2022-09-04T14:38:26.249330Z",
"updated_at": "2022-09-04T14:38:26.249350Z",
"structure_string": "Th2 Co2 Si4\n1.0\n8.495406 -0.005704 0.000000\n-7.488193 4.012346 0.000000\n-0.000000 0.000000 4.100953\nTh Co Si\n2 2 4\ndirect\n0.608125 0.391878 0.749999 Th\n0.391878 0.608124 0.250000 Th\n0.820318 0.179684 0.749999 Co\n0.179685 0.820318 0.250000 Co\n0.958790 0.041212 0.749999 Si\n0.041212 0.958790 0.250000 Si\n0.250402 0.749601 0.749999 Si\n0.749601 0.250401 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"Co",
"Si"
],
"chemical_system": "Co-Si-Th",
"density": 8.257789474696803,
"density_atomic": 0.05730166222519478,
"volume": 139.6120058186114,
"volume_molar": 10.509539385320211,
"formula_full": "Th2 Co2 Si4",
"formula_reduced": "ThCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.026150925,
"spacegroup": 63
},
{
"id": "jvasp-114282",
"created_at": "2022-09-04T14:38:40.356006Z",
"updated_at": "2022-09-04T14:38:40.356027Z",
"structure_string": "Ga1 N1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nGa N O\n1 1 1\ndirect\n0.321684 -0.027610 0.000000 Ga\n-0.093871 -0.191640 0.000000 N\n0.018873 0.364386 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 0.8623082146791433,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ga1 N1 O1",
"formula_reduced": "GaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0260796916666663,
"spacegroup": 6
},
{
"id": "jvasp-56887",
"created_at": "2022-09-04T14:38:36.015016Z",
"updated_at": "2022-09-04T14:38:36.015031Z",
"structure_string": "Pr4 B6 Cl2\n1.0\n1.785499 -3.092575 0.000000\n1.785499 3.092575 -0.000000\n-0.000000 0.000000 17.881761\nPr B Cl\n4 6 2\ndirect\n0.666667 0.333333 0.372325 Pr\n0.333333 0.666667 0.872325 Pr\n0.666667 0.333333 0.127675 Pr\n0.333333 0.666667 0.627675 Pr\n0.833564 0.166436 0.750000 B\n0.166436 0.332872 0.250000 B\n0.667128 0.833564 0.250000 B\n0.332872 0.166436 0.750000 B\n0.833564 0.667128 0.750000 B\n0.166436 0.833564 0.250000 B\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"B",
"Cl"
],
"chemical_system": "B-Cl-Pr",
"density": 5.881068070602307,
"density_atomic": 0.0607660647859438,
"volume": 197.47864276338328,
"volume_molar": 9.910368198457078,
"formula_full": "Pr4 B6 Cl2",
"formula_reduced": "Pr2B3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.026036919583333,
"spacegroup": 194
},
{
"id": "jvasp-51296",
"created_at": "2022-09-04T14:36:37.502117Z",
"updated_at": "2022-09-04T14:36:37.502149Z",
"structure_string": "Mn1 V1 Ni1\n1.0\n-0.000000 2.729909 2.729909\n2.729909 -0.000000 2.729909\n2.729909 2.729909 0.000000\nMn V Ni\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"V",
"Ni"
],
"chemical_system": "Mn-Ni-V",
"density": 6.716345543304441,
"density_atomic": 0.0737304268363592,
"volume": 40.688764852241285,
"volume_molar": 8.167782309691253,
"formula_full": "Mn1 V1 Ni1",
"formula_reduced": "MnVNi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0258512804597704,
"spacegroup": 216
},
{
"id": "jvasp-48682",
"created_at": "2022-09-04T14:36:06.613989Z",
"updated_at": "2022-09-04T14:36:06.614013Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.579112 4.579112 2.951542\n-0.063279 4.482213 -2.901064\n-4.482213 0.063279 -2.901064\nMn O F\n6 10 2\ndirect\n0.842779 0.668759 0.668759 Mn\n0.671182 0.348452 0.348452 Mn\n0.328819 0.651547 0.651547 Mn\n0.157221 0.331240 0.331240 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.696430 0.303569 O\n0.000000 0.303569 0.696430 O\n0.670889 0.641402 0.031809 O\n0.329111 0.968190 0.358597 O\n0.371986 0.430992 0.430992 O\n0.628014 0.569007 0.569007 O\n0.958084 0.234814 0.234814 O\n0.329111 0.358597 0.968190 O\n0.670889 0.031809 0.641402 O\n0.041917 0.765185 0.765185 O\n0.317564 0.884947 0.884947 F\n0.682436 0.115052 0.115052 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.9585773785203715,
"density_atomic": 0.1018732152035919,
"volume": 176.69021208398405,
"volume_molar": 5.911407378244472,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.025681056293103,
"spacegroup": 12
},
{
"id": "jvasp-17772",
"created_at": "2022-09-04T14:38:14.449214Z",
"updated_at": "2022-09-04T14:38:14.449238Z",
"structure_string": "U1 Fe2 Ge2\n1.0\n3.773998 -0.000000 -1.413385\n-0.529321 3.736693 -1.413385\n-0.072204 -0.083154 5.552526\nU Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250001 0.750000 0.500001 Fe\n0.750001 0.250000 0.500002 Fe\n0.629868 0.629867 0.259736 Ge\n0.370134 0.370133 0.740267 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-U",
"density": 10.617490387012444,
"density_atomic": 0.06458602267491065,
"volume": 77.41613112123594,
"volume_molar": 9.324216774133987,
"formula_full": "U1 Fe2 Ge2",
"formula_reduced": "U(FeGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.02558978,
"spacegroup": 139
}
]
}