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=-volume_molar&page=4615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4613",
"results": [
{
"id": "jvasp-78468",
"created_at": "2022-09-04T14:37:10.110391Z",
"updated_at": "2022-09-04T14:37:10.110417Z",
"structure_string": "N2\n1.0\n-1.125704 -3.050048 -0.000000\n-1.125704 3.050048 0.000000\n0.000000 0.000000 -2.251678\nN\n2\ndirect\n0.749972 0.250024 0.750001 N\n0.250024 0.749972 0.250000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.008484348311285,
"density_atomic": 0.12934892748504964,
"volume": 15.462053214404605,
"volume_molar": 4.655733044787749,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy_above_hull": 2.95324325,
"spacegroup": 139
},
{
"id": "jvasp-24597",
"created_at": "2022-09-04T14:37:18.246339Z",
"updated_at": "2022-09-04T14:37:18.246366Z",
"structure_string": "H12 O4 F4\n1.0\n4.209485 0.000000 0.000000\n-0.000000 6.169054 0.000000\n0.000000 0.000000 5.953150\nH O F\n12 4 4\ndirect\n0.750001 0.541382 0.198919 H\n0.546185 0.758567 0.101432 H\n0.046185 0.241432 0.898568 H\n0.453816 0.258568 0.398568 H\n0.546185 0.741432 0.601432 H\n0.046185 0.258568 0.398568 H\n0.953817 0.741432 0.601432 H\n0.453816 0.241432 0.898568 H\n0.250000 0.041383 0.301081 H\n0.750001 0.958617 0.698919 H\n0.250000 0.458617 0.801081 H\n0.953817 0.758567 0.101432 H\n0.250000 0.165884 0.418701 O\n0.750001 0.834116 0.581299 O\n0.250000 0.334116 0.918701 O\n0.750001 0.665883 0.081299 O\n0.750001 0.126959 0.866313 F\n0.750001 0.373040 0.366313 F\n0.250000 0.626959 0.633687 F\n0.250000 0.873040 0.133687 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 1.6335986987400286,
"density_atomic": 0.12937061183338708,
"volume": 154.59461555115362,
"volume_molar": 4.65495267793566,
"formula_full": "H12 O4 F4",
"formula_reduced": "H3OF",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8691107565,
"spacegroup": 62
},
{
"id": "jvasp-36573",
"created_at": "2022-09-04T14:37:30.468418Z",
"updated_at": "2022-09-04T14:37:30.468449Z",
"structure_string": "Cr3 N6\n1.0\n2.081006 -3.604407 0.000000\n2.081005 3.604408 -0.000000\n0.000000 -0.000000 4.637118\nCr N\n3 6\ndirect\n0.357744 0.388518 0.001635 Cr\n0.030773 0.642255 0.334968 Cr\n0.611482 0.969226 0.668302 Cr\n0.189433 0.348184 0.579928 N\n0.158749 0.810566 0.913261 N\n0.651816 0.841250 0.246594 N\n0.337601 0.188223 0.418471 N\n0.811778 0.149378 0.085138 N\n0.850623 0.662400 0.751805 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.729630991086942,
"density_atomic": 0.12937705276163933,
"volume": 69.56411363444296,
"volume_molar": 4.654720935013897,
"formula_full": "Cr3 N6",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.490531299999999,
"spacegroup": 145
},
{
"id": "jvasp-34244",
"created_at": "2022-09-04T14:37:13.282957Z",
"updated_at": "2022-09-04T14:37:13.282989Z",
"structure_string": "Li4 C1 O4\n1.0\n4.089178 0.281562 -0.346511\n-0.399852 4.079306 -0.346515\n0.238228 0.281587 4.096922\nLi C O\n4 1 4\ndirect\n0.231501 0.231502 0.231494 Li\n0.777595 0.777596 0.203888 Li\n0.777601 0.203892 0.777593 Li\n0.203892 0.777602 0.777591 Li\n0.518729 0.518728 0.518730 C\n0.317234 0.714378 0.317235 O\n0.725206 0.725206 0.725206 O\n0.317231 0.317230 0.714382 O\n0.714379 0.317233 0.317235 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.4774863351362915,
"density_atomic": 0.12939671089193275,
"volume": 69.55354535646939,
"volume_molar": 4.654013783263367,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.234243777777778,
"spacegroup": 160
},
{
"id": "jvasp-117918",
"created_at": "2022-09-04T14:38:50.366455Z",
"updated_at": "2022-09-04T14:38:50.366483Z",
"structure_string": "Si1 C1 N2\n1.0\n2.857153 0.000000 0.000000\n-0.000000 2.857153 -0.000000\n0.000000 0.000000 3.786467\nSi C N\n1 1 2\ndirect\n0.500000 0.500000 0.519046 Si\n0.000000 0.000000 0.056338 C\n0.000000 0.000000 0.434701 N\n0.500000 0.500000 -0.000083 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"C",
"N"
],
"chemical_system": "C-N-Si",
"density": 3.6589481580739345,
"density_atomic": 0.12940731320741092,
"volume": 30.91015415480342,
"volume_molar": 4.653632480838126,
"formula_full": "Si1 C1 N2",
"formula_reduced": "SiCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.130098775,
"spacegroup": 99
},
{
"id": "jvasp-113961",
"created_at": "2022-09-04T14:38:49.093021Z",
"updated_at": "2022-09-04T14:38:49.093042Z",
"structure_string": "Li2 B1 N2\n1.0\n2.667953 -0.000000 -0.000000\n-1.333977 2.310515 -0.000000\n-0.000000 0.000000 6.262985\nLi B N\n2 1 2\ndirect\n0.666666 0.333334 0.322236 Li\n0.333332 0.666667 0.677764 Li\n0.000000 0.000000 0.000000 B\n0.666666 0.333334 0.850485 N\n0.333332 0.666667 0.149516 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"B",
"N"
],
"chemical_system": "B-Li-N",
"density": 2.2669613337084655,
"density_atomic": 0.1295095116891643,
"volume": 38.6072029365727,
"volume_molar": 4.649960208678523,
"formula_full": "Li2 B1 N2",
"formula_reduced": "Li2BN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4675478166666664,
"spacegroup": 164
},
{
"id": "jvasp-116127",
"created_at": "2022-09-04T14:38:40.603477Z",
"updated_at": "2022-09-04T14:38:40.603505Z",
"structure_string": "Li2 H2 O2\n1.0\n1.469598 -5.336743 0.000000\n1.469598 5.336743 -0.000000\n0.000000 0.000000 2.952422\nLi H O\n2 2 2\ndirect\n0.324839 0.675160 0.250000 Li\n0.675160 0.324839 0.750000 Li\n0.052153 0.947847 0.250000 H\n0.947847 0.052153 0.750000 H\n0.856949 0.143050 0.750000 O\n0.143050 0.856949 0.250000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.7173991300496074,
"density_atomic": 0.12955911732296768,
"volume": 46.310905198922235,
"volume_molar": 4.648179830515425,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1438545000000004,
"spacegroup": 63
},
{
"id": "jvasp-79759",
"created_at": "2022-09-04T14:37:12.142643Z",
"updated_at": "2022-09-04T14:37:12.142652Z",
"structure_string": "Cu1 B1 O2\n1.0\n-1.266306 2.193307 -0.000000\n-2.532613 0.000000 -0.000000\n-1.266306 0.731103 5.556484\nCu B O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500001 0.500000 B\n0.114257 0.114259 0.657226 O\n0.885743 0.885743 0.342773 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 5.7219222401078955,
"density_atomic": 0.1295960207515238,
"volume": 30.86514521668265,
"volume_molar": 4.64685622681759,
"formula_full": "Cu1 B1 O2",
"formula_reduced": "CuBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9228075083333336,
"spacegroup": 166
},
{
"id": "jvasp-8753",
"created_at": "2022-09-04T14:37:14.498756Z",
"updated_at": "2022-09-04T14:37:14.498768Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.577527 -2.732356 0.000000\n1.577527 2.732356 -0.000000\n-0.000000 0.000000 4.475239\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.666668 0.333334 0.443015 H\n0.333334 0.666668 0.556985 H\n0.333334 0.666668 0.775739 O\n0.666668 0.333334 0.224261 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.9903075570077062,
"density_atomic": 0.12960139931868103,
"volume": 38.5798303589712,
"volume_molar": 4.646663378372918,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.17131188,
"spacegroup": 164
},
{
"id": "jvasp-32740",
"created_at": "2022-09-04T14:36:48.152841Z",
"updated_at": "2022-09-04T14:36:48.152865Z",
"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"N"
],
"chemical_system": "B-C-H-N",
"density": 0.8783522438971822,
"density_atomic": 0.12961167480879646,
"volume": 339.4755917235769,
"volume_molar": 4.6462949953265245,
"formula_full": "B4 H32 C4 N4",
"formula_reduced": "BH8CN",
"formula_anonymous": "ABCD8",
"energy_above_hull": 3.967564166666667,
"spacegroup": 62
},
{
"id": "jvasp-97659",
"created_at": "2022-09-04T14:35:48.920204Z",
"updated_at": "2022-09-04T14:35:48.920239Z",
"structure_string": "Li2 B26 C4\n1.0\n5.229134 0.000012 2.198589\n1.859493 6.454275 2.895220\n0.001515 0.002896 7.314267\nLi B C\n2 26 4\ndirect\n0.748807 0.945549 0.556392 Li\n0.248823 0.058847 0.443145 Li\n0.089109 0.912054 0.228689 B\n0.247960 0.388034 0.113860 B\n0.571723 0.605369 0.249050 B\n0.322747 0.879067 0.979308 B\n0.071723 0.751477 0.102939 B\n0.227950 0.092277 0.770789 B\n0.727950 0.273218 0.589847 B\n0.924234 0.252856 0.896536 B\n0.165145 0.847322 0.820264 B\n0.768013 0.912054 0.228711 B\n0.747962 0.616291 0.885606 B\n0.316745 0.481731 0.376639 B\n0.830826 0.157006 0.179215 B\n0.906875 0.092281 0.770766 B\n0.589105 0.731124 0.409624 B\n0.424231 0.398967 0.750424 B\n0.330822 0.681645 0.654576 B\n0.406872 0.273197 0.589850 B\n0.673215 0.125261 0.020171 B\n0.679218 0.522599 0.622830 B\n0.268014 0.731147 0.409621 B\n0.816746 0.879069 0.979300 B\n0.173215 0.522610 0.622823 B\n0.179220 0.125258 0.020165 B\n0.822746 0.481738 0.376640 B\n0.665145 0.322689 0.344898 B\n0.378571 0.251175 0.989544 C\n0.617397 0.753147 0.009926 C\n0.117396 0.512352 0.250722 C\n0.878564 0.491981 0.748742 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.30782710192494,
"density_atomic": 0.12965711551788087,
"volume": 246.80481184688176,
"volume_molar": 4.644666616210118,
"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
"formula_anonymous": "AB2C13",
"energy_above_hull": 5.5216464739583335,
"spacegroup": 74
},
{
"id": "jvasp-29807",
"created_at": "2022-09-04T14:37:30.091048Z",
"updated_at": "2022-09-04T14:37:30.091068Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.307536 0.000027 0.000331\n-1.653745 2.864370 0.000000\n0.000394 0.000227 4.069971\nMn H O\n1 2 2\ndirect\n0.000017 0.000010 0.968181 Mn\n0.666663 0.333331 0.035973 H\n0.333285 0.666644 0.436814 H\n0.666736 0.333369 0.786098 O\n0.333305 0.666653 0.195409 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.830727876370277,
"density_atomic": 0.12967102746278936,
"volume": 38.559114536474304,
"volume_molar": 4.644168306392208,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.910976848275862,
"spacegroup": 156
}
]
}