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_atomic&page=416",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=414",
"results": [
{
"id": "jvasp-93478",
"created_at": "2022-09-04T14:36:30.892930Z",
"updated_at": "2022-09-04T14:36:30.892950Z",
"structure_string": "Cr1 Ir1 O4\n1.0\n-0.000674 3.071603 0.000004\n-4.486282 3.070484 -0.097190\n-0.082257 0.000007 4.486816\nCr Ir O\n1 1 4\ndirect\n0.499959 0.999526 0.000416 Cr\n0.499963 0.499526 0.500417 Ir\n0.189252 0.810238 0.811157 O\n0.199934 0.299538 0.700381 O\n0.810670 0.188813 0.189677 O\n0.799991 0.699513 0.300452 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"O"
],
"chemical_system": "Cr-Ir-O",
"density": 8.275602842605196,
"density_atomic": 0.09701839399329194,
"volume": 61.843942710645706,
"volume_molar": 6.207215469281406,
"formula_full": "Cr1 Ir1 O4",
"formula_reduced": "CrIrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.270185416666666,
"spacegroup": 65
},
{
"id": "jvasp-101792",
"created_at": "2022-09-04T14:36:58.372277Z",
"updated_at": "2022-09-04T14:36:58.372292Z",
"structure_string": "H6 C10 S1\n1.0\n3.691528 0.139226 0.000239\n-0.250895 5.751141 -0.000272\n0.002587 0.001219 8.239924\nH C S\n6 10 1\ndirect\n0.335078 0.862976 0.101135 H\n0.294077 0.132837 0.592115 H\n0.294116 0.132828 0.909025 H\n0.803406 0.178818 0.399939 H\n0.803396 0.178806 0.101033 H\n0.335066 0.862983 0.399895 H\n0.447126 0.713981 0.165761 C\n0.559454 0.517829 0.422927 C\n0.559464 0.517821 0.078078 C\n0.696815 0.328432 0.334373 C\n0.513540 0.483969 0.903120 C\n0.513523 0.483978 0.597904 C\n0.447118 0.713984 0.335253 C\n0.389443 0.278519 0.665268 C\n0.389457 0.278514 0.835821 C\n0.696815 0.328427 0.166611 C\n0.627163 0.679155 0.750482 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4993814665574827,
"density_atomic": 0.09701783306440431,
"volume": 175.22551744393962,
"volume_molar": 6.2072513575955295,
"formula_full": "H6 C10 S1",
"formula_reduced": "H6C10S",
"formula_anonymous": "AB6C10",
"energy_above_hull": 5.727200000000001,
"spacegroup": 6
},
{
"id": "jvasp-106179",
"created_at": "2022-09-04T14:36:14.653500Z",
"updated_at": "2022-09-04T14:36:14.653516Z",
"structure_string": "Cr1 Ir1 O4\n1.0\n4.487065 0.032405 0.000000\n-0.047640 4.486929 0.000000\n0.000000 0.000000 3.071582\nCr Ir O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Cr\n0.500001 0.500000 0.000000 Ir\n0.810727 0.810725 0.000000 O\n0.699985 0.300016 0.500000 O\n0.189275 0.189274 0.000000 O\n0.300017 0.699984 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"O"
],
"chemical_system": "Cr-Ir-O",
"density": 8.275416053530117,
"density_atomic": 0.09701620418592388,
"volume": 61.845338625096836,
"volume_molar": 6.207355575836633,
"formula_full": "Cr1 Ir1 O4",
"formula_reduced": "CrIrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.270185416666666,
"spacegroup": 65
},
{
"id": "jvasp-71519",
"created_at": "2022-09-04T14:36:01.747680Z",
"updated_at": "2022-09-04T14:36:01.747719Z",
"structure_string": "Be1 Cr1 Ni1\n1.0\n1.227591 -2.126251 -0.000000\n1.227591 2.126251 0.000000\n-0.000000 -0.000000 5.923586\nBe Cr Ni\n1 1 1\ndirect\n0.000000 0.000000 0.010288 Be\n0.333333 0.666666 0.670203 Cr\n0.666666 0.333333 0.319510 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Ni"
],
"chemical_system": "Be-Cr-Ni",
"density": 6.427860309800218,
"density_atomic": 0.09701487632716296,
"volume": 30.92309255627054,
"volume_molar": 6.207440536945646,
"formula_full": "Be1 Cr1 Ni1",
"formula_reduced": "BeCrNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.289571966666667,
"spacegroup": 156
},
{
"id": "jvasp-43735",
"created_at": "2022-09-04T14:38:16.215622Z",
"updated_at": "2022-09-04T14:38:16.215642Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.105455 0.054702 0.038524\n1.823655 4.881993 -0.029359\n1.067228 2.320975 7.461546\nLi Fe O F\n8 2 6 2\ndirect\n0.214105 0.829355 0.273504 Li\n0.751956 0.958056 0.052840 Li\n0.747829 0.485397 0.922035 Li\n0.764622 0.744558 0.492506 Li\n0.235381 0.255440 0.507494 Li\n0.252174 0.514601 0.077964 Li\n0.248047 0.041942 0.947159 Li\n0.785898 0.170643 0.726496 Li\n0.780486 0.404548 0.262586 Fe\n0.219517 0.595450 0.737414 Fe\n0.976504 0.443111 0.685242 O\n0.485104 0.301833 0.889864 O\n0.033350 0.831490 0.876716 O\n0.966653 0.168508 0.123284 O\n0.514899 0.698165 0.110136 O\n0.023499 0.556887 0.314757 O\n0.346866 0.836288 0.497428 F\n0.653137 0.163710 0.502572 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.695744513786806,
"density_atomic": 0.09701324066386979,
"volume": 185.54168355602266,
"volume_molar": 6.207545195676365,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.5175406980555552,
"spacegroup": 2
},
{
"id": "jvasp-48415",
"created_at": "2022-09-04T14:35:48.215012Z",
"updated_at": "2022-09-04T14:35:48.215036Z",
"structure_string": "V6 O10 F2\n1.0\n5.461083 -0.019713 0.041419\n1.427692 5.255352 0.053239\n2.148142 1.626667 6.488591\nV O F\n6 10 2\ndirect\n0.360751 0.336400 0.152529 V\n0.636869 0.700859 0.330863 V\n0.363130 0.299141 0.669137 V\n0.639248 0.663600 0.847471 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.703429 0.295828 -0.001058 O\n0.638192 0.021075 0.671236 O\n0.296570 0.704172 0.001058 O\n0.565961 0.565318 0.630800 O\n0.235104 0.236690 0.965340 O\n0.434037 0.434683 0.369200 O\n0.103325 0.100934 0.695653 O\n0.764895 0.763310 0.034660 O\n0.361806 0.978925 0.328764 O\n0.896673 0.899067 0.304347 O\n0.033300 0.627611 0.670693 F\n0.966698 0.372390 0.329307 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.507019248641737,
"density_atomic": 0.0970046989496924,
"volume": 185.55802136281028,
"volume_molar": 6.208091798855168,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9906444869444444,
"spacegroup": 2
},
{
"id": "jvasp-116677",
"created_at": "2022-09-04T14:38:44.398502Z",
"updated_at": "2022-09-04T14:38:44.398531Z",
"structure_string": "Mn4 Co2 O8\n1.0\n5.212105 -0.000174 2.745375\n-1.438881 5.017138 2.731226\n0.235834 0.329081 5.872257\nMn Co O\n4 2 8\ndirect\n0.625000 0.374999 0.749999 Mn\n0.625001 0.374999 0.250003 Mn\n0.124996 0.374999 0.250003 Mn\n0.625000 0.875004 0.749999 Mn\n0.250005 0.750002 0.500002 Co\n-0.000005 -0.000002 -0.000001 Co\n0.400743 0.133471 0.733067 O\n0.866192 0.133482 0.733062 O\n0.383806 0.616519 0.766939 O\n0.849256 0.616531 0.766934 O\n0.866529 0.133810 0.266941 O\n0.866533 0.599243 0.266935 O\n0.383465 0.150757 0.233069 O\n0.383470 0.616192 0.233062 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.357176694640482,
"density_atomic": 0.09700387726817371,
"volume": 144.3241280067194,
"volume_molar": 6.208144385148018,
"formula_full": "Mn4 Co2 O8",
"formula_reduced": "Mn2CoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.2619570546798027,
"spacegroup": 227
},
{
"id": "jvasp-44377",
"created_at": "2022-09-04T14:38:35.900176Z",
"updated_at": "2022-09-04T14:38:35.900202Z",
"structure_string": "Li4 Cr6 Sb2 O16\n1.0\n2.952156 -5.113284 0.000000\n2.952156 5.113284 0.000000\n-0.000000 -0.000000 9.561663\nLi Cr Sb O\n4 6 2 16\ndirect\n0.666668 0.333334 0.097048 Li\n0.000000 0.000000 0.007583 Li\n0.000000 0.000000 0.507583 Li\n0.333334 0.666668 0.597048 Li\n0.169548 0.339096 0.285500 Cr\n0.169548 0.830453 0.285500 Cr\n0.660905 0.830453 0.285500 Cr\n0.830453 0.660905 0.785500 Cr\n0.339096 0.169548 0.785500 Cr\n0.830453 0.169548 0.785500 Cr\n0.666668 0.333334 0.510716 Sb\n0.333334 0.666668 0.010716 Sb\n0.162864 0.837137 0.903631 O\n0.162864 0.325726 0.903631 O\n0.333334 0.666668 0.391542 O\n0.482553 0.965106 0.159884 O\n0.034896 0.517448 0.159884 O\n0.837137 0.162864 0.403631 O\n0.965106 0.482553 0.659883 O\n0.517449 0.482553 0.659883 O\n0.837137 0.674275 0.403631 O\n0.000000 0.000000 0.192245 O\n0.000000 0.000000 0.692245 O\n0.666668 0.333334 0.891542 O\n0.482553 0.517449 0.159884 O\n0.325726 0.162864 0.403631 O\n0.517448 0.034896 0.659883 O\n0.674275 0.837137 0.903631 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.827678254196241,
"density_atomic": 0.0969963484133613,
"volume": 288.6706608858585,
"volume_molar": 6.208626261203094,
"formula_full": "Li4 Cr6 Sb2 O16",
"formula_reduced": "Li2Cr3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.087358307142858,
"spacegroup": 186
},
{
"id": "jvasp-107960",
"created_at": "2022-09-04T14:36:13.048910Z",
"updated_at": "2022-09-04T14:36:13.048939Z",
"structure_string": "Mn2 Co6\n1.0\n4.921870 -0.000000 0.000000\n-2.460934 4.262465 0.000000\n-0.000000 -0.000000 3.931383\nMn Co\n2 6\ndirect\n0.333334 0.666667 0.749999 Mn\n0.666667 0.333334 0.250000 Mn\n0.167696 0.335392 0.250000 Co\n0.664609 0.832305 0.250000 Co\n0.167697 0.832305 0.250000 Co\n0.832305 0.664609 0.749999 Co\n0.335392 0.167696 0.749999 Co\n0.832304 0.167696 0.749999 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 9.331239455348197,
"density_atomic": 0.09699596476375813,
"volume": 82.47765790550851,
"volume_molar": 6.208650818276238,
"formula_full": "Mn2 Co6",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.528567485344828,
"spacegroup": 194
},
{
"id": "jvasp-115495",
"created_at": "2022-09-04T14:38:46.828324Z",
"updated_at": "2022-09-04T14:38:46.828335Z",
"structure_string": "Rb1 B1 O2\n1.0\n1.401160 0.808960 6.063792\n-1.401160 0.808960 6.063792\n0.000000 -1.617920 6.063792\nRb B O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 B\n0.785517 0.785517 0.785517 O\n0.214482 0.214482 0.214482 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"B",
"O"
],
"chemical_system": "B-O-Rb",
"density": 5.165229213911565,
"density_atomic": 0.09699507129721505,
"volume": 41.23920882271519,
"volume_molar": 6.208708009035619,
"formula_full": "Rb1 B1 O2",
"formula_reduced": "RbBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8499073958333327,
"spacegroup": 166
},
{
"id": "jvasp-21632",
"created_at": "2022-09-04T14:38:34.352174Z",
"updated_at": "2022-09-04T14:38:34.352199Z",
"structure_string": "Tb2 B4 C4\n1.0\n5.350130 0.000000 -0.000000\n0.000000 5.350130 0.000000\n0.000000 0.000000 3.601973\nTb B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.137289 0.637289 0.500000 B\n0.637289 0.862711 0.500000 B\n0.862711 0.362711 0.500000 B\n0.362711 0.137289 0.500000 B\n0.838430 0.661570 0.500000 C\n0.338430 0.838430 0.500000 C\n0.661570 0.161570 0.500000 C\n0.161570 0.338430 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"B",
"C"
],
"chemical_system": "B-C-Tb",
"density": 6.58945143941128,
"density_atomic": 0.09699087498220721,
"volume": 103.10248259781635,
"volume_molar": 6.208976629095005,
"formula_full": "Tb2 B4 C4",
"formula_reduced": "Tb(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.676016713333334,
"spacegroup": 127
},
{
"id": "jvasp-58468",
"created_at": "2022-09-04T14:38:34.151794Z",
"updated_at": "2022-09-04T14:38:34.151822Z",
"structure_string": "Al2 Fe4 O8\n1.0\n5.128833 0.042711 2.892356\n1.709245 4.835827 2.892356\n0.059866 0.042711 5.887875\nAl Fe O\n2 4 8\ndirect\n0.625003 0.625003 0.625004 Al\n0.374997 0.374997 0.374997 Al\n-0.000001 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.000001 Fe\n0.000000 -0.000000 0.499999 Fe\n0.250305 0.749895 0.749895 O\n0.250105 0.250105 0.749695 O\n0.250104 0.749695 0.250106 O\n0.250112 0.250113 0.250113 O\n0.749894 0.749895 0.250306 O\n0.749695 0.250105 0.250106 O\n0.749895 0.250305 0.749895 O\n0.749887 0.749887 0.749888 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.662842376477232,
"density_atomic": 0.0969866716539147,
"volume": 144.34973137295938,
"volume_molar": 6.209245721401067,
"formula_full": "Al2 Fe4 O8",
"formula_reduced": "Al(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.685903971428571,
"spacegroup": 227
}
]
}