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=887",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=885",
"results": [
{
"id": "jvasp-48387",
"created_at": "2022-09-04T14:37:52.110026Z",
"updated_at": "2022-09-04T14:37:52.110051Z",
"structure_string": "V6 O10 F2\n1.0\n-4.682216 4.682216 2.903463\n-0.083668 4.607325 -2.918049\n-4.607325 0.083668 -2.918049\nV O F\n6 10 2\ndirect\n0.818995 0.660535 0.660535 V\n0.666667 0.333334 0.333334 V\n0.348276 0.643842 0.643842 V\n0.166667 0.333333 0.333333 V\n0.514338 0.006133 0.006133 V\n0.985059 0.022827 0.022827 V\n0.002438 0.702486 0.297851 O\n0.330897 0.964181 0.368817 O\n0.666667 0.634766 0.031901 O\n0.002438 0.297851 0.702486 O\n0.367289 0.429301 0.429301 O\n0.966045 0.237367 0.237367 O\n0.633471 0.565577 0.565577 O\n0.330897 0.368817 0.964181 O\n0.666667 0.031901 0.634766 O\n0.699864 0.101090 0.101090 O\n0.298736 0.897887 0.897887 F\n0.034599 0.768781 0.768781 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.515106908098538,
"density_atomic": 0.09717876986608598,
"volume": 185.2256416170354,
"volume_molar": 6.196971589883896,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9898933758333333,
"spacegroup": 12
},
{
"id": "jvasp-109975",
"created_at": "2022-09-04T14:38:17.441722Z",
"updated_at": "2022-09-04T14:38:17.441751Z",
"structure_string": "La1 Pm1 Ir2\n1.0\n4.358849 -0.000000 2.516583\n1.452950 4.109562 2.516583\n-0.000000 -0.000000 5.033165\nLa Pm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Ir"
],
"chemical_system": "Ir-La-Pm",
"density": 12.309422494724371,
"density_atomic": 0.04436612128453699,
"volume": 90.15888439619191,
"volume_molar": 13.573737314960882,
"formula_full": "La1 Pm1 Ir2",
"formula_reduced": "LaPmIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.98982709375,
"spacegroup": 225
},
{
"id": "jvasp-35456",
"created_at": "2022-09-04T14:37:31.914059Z",
"updated_at": "2022-09-04T14:37:31.914093Z",
"structure_string": "Ti1 Cr2 Se4\n1.0\n0.000000 3.637636 0.000000\n-0.060604 0.000000 6.468940\n5.933388 -1.818818 -3.134306\nTi Cr Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.259007 0.275622 0.518014 Cr\n0.740994 0.724378 0.481987 Cr\n0.123913 0.450553 0.247826 Se\n0.876088 0.549447 0.752175 Se\n0.367631 0.031988 0.735262 Se\n0.632370 0.968011 0.264739 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Ti",
"density": 5.590043917523463,
"density_atomic": 0.05038456755170671,
"volume": 138.93142960523204,
"volume_molar": 11.952351786724838,
"formula_full": "Ti1 Cr2 Se4",
"formula_reduced": "Ti(CrSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.9897966571428576,
"spacegroup": 12
},
{
"id": "jvasp-42745",
"created_at": "2022-09-04T14:36:13.107296Z",
"updated_at": "2022-09-04T14:36:13.107322Z",
"structure_string": "V6 O10 F2\n1.0\n0.000000 5.452414 0.075397\n4.596172 0.000000 0.000000\n0.000000 -0.650491 -7.399266\nV O F\n6 10 2\ndirect\n0.079784 0.468932 0.832230 V\n0.400583 0.519415 0.159198 V\n0.748100 0.512778 0.522311 V\n0.599416 0.019416 0.840802 V\n0.251899 0.012778 0.477689 V\n0.920216 0.968932 0.167770 V\n0.614874 0.803038 0.068843 O\n0.949496 0.795428 0.400832 O\n0.115283 0.702760 0.062868 O\n0.455077 0.693257 0.399250 O\n0.785021 0.704710 0.738075 O\n0.884717 0.202760 0.937132 O\n0.385125 0.303039 0.931157 O\n0.214978 0.204711 0.261925 O\n0.544923 0.193257 0.600751 O\n0.050503 0.295429 0.599168 O\n0.715572 0.299677 0.269711 F\n0.284427 0.799677 0.730289 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.515685539584287,
"density_atomic": 0.09719122376742993,
"volume": 185.20190715030424,
"volume_molar": 6.196177521553236,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.989691153611111,
"spacegroup": 4
},
{
"id": "jvasp-48419",
"created_at": "2022-09-04T14:36:17.687558Z",
"updated_at": "2022-09-04T14:36:17.687587Z",
"structure_string": "V6 O10 F2\n1.0\n5.455311 0.013287 -0.015018\n1.547824 5.229670 -0.010846\n2.329523 1.737434 6.494959\nV O F\n6 10 2\ndirect\n0.642623 0.664235 0.852292 V\n0.369964 0.311649 0.671594 V\n0.640918 0.652767 0.335341 V\n0.331567 0.329322 0.163840 V\n0.010151 0.033188 0.495745 V\n-0.000948 0.009801 0.981959 V\n0.701545 0.301444 0.999241 O\n0.959023 0.370171 0.330356 O\n0.651477 0.022606 0.667126 O\n0.294698 0.704049 0.000679 O\n0.428364 0.426461 0.368888 O\n0.569211 0.566950 0.634342 O\n0.104967 0.106832 0.694940 O\n0.235894 0.233460 0.963190 O\n0.361588 0.960729 0.333472 O\n0.764538 0.770539 0.039074 O\n0.037678 0.636065 0.666212 F\n0.896732 0.899731 0.301701 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.510635877419343,
"density_atomic": 0.09708253975010392,
"volume": 185.40924090297847,
"volume_molar": 6.203114149569366,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9895089313888885,
"spacegroup": 1
},
{
"id": "jvasp-58230",
"created_at": "2022-09-04T14:37:03.029446Z",
"updated_at": "2022-09-04T14:37:03.029466Z",
"structure_string": "Ba1 Ca1 Mn4 O8\n1.0\n2.745411 -4.755191 0.000000\n2.745411 4.755191 0.000000\n-0.000000 -0.000000 7.599748\nBa Ca Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.755268 Mn\n0.666667 0.333333 0.755268 Mn\n0.333333 0.666667 0.244732 Mn\n0.666667 0.333333 0.244732 Mn\n0.328676 0.328676 0.699368 O\n0.671324 -0.000000 0.699368 O\n-0.000000 0.671324 0.699368 O\n0.671324 0.671324 0.300632 O\n-0.000000 0.328676 0.300632 O\n0.328676 -0.000000 0.300632 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ba-Ca-Mn-O",
"density": 4.39470687275044,
"density_atomic": 0.07055430416997041,
"volume": 198.4287162165612,
"volume_molar": 8.535468999158761,
"formula_full": "Ba1 Ca1 Mn4 O8",
"formula_reduced": "BaCaMn4O8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.988742382536945,
"spacegroup": 162
},
{
"id": "jvasp-118844",
"created_at": "2022-09-04T14:38:49.352967Z",
"updated_at": "2022-09-04T14:38:49.352995Z",
"structure_string": "Ca1 As1 N2\n1.0\n3.249995 0.000000 0.000000\n0.000000 3.249995 0.000000\n-0.000000 0.000000 5.255143\nCa As N\n1 1 2\ndirect\n0.500000 0.500000 0.478685 Ca\n0.000000 0.000000 0.927409 As\n0.000000 0.000000 0.592734 N\n0.500000 0.500000 0.011170 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"As",
"N"
],
"chemical_system": "As-Ca-N",
"density": 4.278334044547656,
"density_atomic": 0.07206262323976097,
"volume": 55.50727714548388,
"volume_molar": 8.356815904360875,
"formula_full": "Ca1 As1 N2",
"formula_reduced": "CaAsN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9887196675,
"spacegroup": 99
},
{
"id": "jvasp-91274",
"created_at": "2022-09-04T14:35:41.216486Z",
"updated_at": "2022-09-04T14:35:41.216506Z",
"structure_string": "Rb2 V6 O16\n1.0\n5.042342 -0.011538 0.000000\n-0.860920 7.831989 0.000000\n0.000000 0.000000 8.441937\nRb V O\n2 6 16\ndirect\n0.056227 0.936729 0.750000 Rb\n0.943773 0.063271 0.250000 Rb\n0.075703 0.426192 0.750000 V\n0.924297 0.573808 0.250000 V\n0.562757 0.315290 0.946263 V\n0.437242 0.684709 0.446263 V\n0.437242 0.684709 0.053738 V\n0.562757 0.315290 0.553738 V\n0.316565 0.494274 0.587469 O\n0.683435 0.505725 0.087469 O\n0.683435 0.505725 0.412531 O\n0.316565 0.494274 0.912531 O\n0.889732 0.269600 0.599170 O\n0.123260 0.425635 0.250000 O\n0.876739 0.574365 0.750000 O\n0.564405 0.832310 0.932880 O\n0.435594 0.167690 0.432880 O\n0.435594 0.167690 0.067121 O\n0.564405 0.832310 0.567121 O\n0.889732 0.269600 0.900831 O\n0.110267 0.730400 0.400830 O\n0.110267 0.730400 0.099170 O\n0.421420 0.243599 0.750000 O\n0.578580 0.756401 0.250000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"V",
"O"
],
"chemical_system": "O-Rb-V",
"density": 3.6497571545685137,
"density_atomic": 0.07200688420617442,
"volume": 333.3014650555045,
"volume_molar": 8.363284741993622,
"formula_full": "Rb2 V6 O16",
"formula_reduced": "RbV3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.988305883333334,
"spacegroup": 11
},
{
"id": "jvasp-51602",
"created_at": "2022-09-04T14:37:58.624359Z",
"updated_at": "2022-09-04T14:37:58.624381Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.979497 0.000000 0.000000\n0.000000 6.227361 -0.000000\n0.000000 0.000000 10.628060\nBa Nb O\n2 4 12\ndirect\n0.000000 0.315204 0.750000 Ba\n0.000000 0.684795 0.250000 Ba\n0.500000 0.214491 0.078293 Nb\n0.500000 0.214491 0.421707 Nb\n0.500000 0.785509 0.578293 Nb\n0.500000 0.785509 0.921706 Nb\n0.500000 0.105626 0.891635 O\n0.500000 0.500000 0.000000 O\n0.500000 0.350186 0.250000 O\n0.000000 0.782170 0.913302 O\n0.000000 0.782170 0.586698 O\n0.500000 0.894374 0.108365 O\n0.000000 0.217830 0.086698 O\n0.500000 0.649814 0.750000 O\n0.500000 0.894374 0.391635 O\n0.000000 0.217830 0.413302 O\n0.500000 0.105626 0.608365 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 5.2850366296193885,
"density_atomic": 0.06834177958945485,
"volume": 263.3820791341729,
"volume_molar": 8.811799745596934,
"formula_full": "Ba2 Nb4 O12",
"formula_reduced": "BaNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.9877206411111112,
"spacegroup": 51
},
{
"id": "jvasp-97809",
"created_at": "2022-09-04T14:37:41.312200Z",
"updated_at": "2022-09-04T14:37:41.312211Z",
"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.441320 -0.004019 4.310332\n2.482598 7.014981 4.310332\n-0.005689 -0.004019 8.599545\nZn B Cl O\n6 14 2 26\ndirect\n0.471649 0.472979 0.034311 Zn\n0.472980 0.034311 0.471648 Zn\n0.972980 0.971648 0.534310 Zn\n0.534311 0.972979 0.971648 Zn\n0.971649 0.534311 0.972979 Zn\n0.034311 0.471648 0.472979 Zn\n0.747423 0.747827 0.253869 B\n0.747828 0.253869 0.747422 B\n0.253870 0.747423 0.747827 B\n0.753870 0.247827 0.247423 B\n0.573519 0.573586 0.267179 B\n0.247423 0.753869 0.247827 B\n0.073519 0.767179 0.073586 B\n0.073586 0.073519 0.767179 B\n0.602627 0.602626 0.602626 B\n0.102627 0.102627 0.102627 B\n0.573586 0.267179 0.573519 B\n0.267179 0.573519 0.573586 B\n0.247828 0.247423 0.753869 B\n0.767179 0.073586 0.073519 B\n0.266525 0.266525 0.266525 Cl\n0.766525 0.766525 0.766524 Cl\n0.935745 0.701382 0.254445 O\n0.435745 0.754445 0.201382 O\n0.201382 0.435745 0.754445 O\n0.191170 0.610367 0.434500 O\n0.110367 0.691169 0.934500 O\n0.934500 0.110367 0.691169 O\n0.691170 0.934500 0.110367 O\n0.754445 0.201382 0.435744 O\n0.701382 0.254445 0.935744 O\n0.445087 0.605382 0.765306 O\n0.605382 0.765306 0.445087 O\n0.765306 0.445087 0.605381 O\n0.265306 0.105382 0.945087 O\n0.105382 0.945087 0.265306 O\n0.945087 0.265306 0.105381 O\n0.989032 0.989031 0.989030 O\n0.750834 0.598679 0.214575 O\n0.598679 0.214576 0.750834 O\n0.214576 0.750834 0.598678 O\n0.098679 0.250834 0.714575 O\n0.250834 0.714576 0.098679 O\n0.714576 0.098679 0.250834 O\n0.610367 0.434500 0.191169 O\n0.434500 0.191169 0.610367 O\n0.254445 0.935745 0.701382 O\n0.489031 0.489031 0.489031 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Zn",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Zn",
"density": 3.8097479302556887,
"density_atomic": 0.10684563385314799,
"volume": 449.24624684217525,
"volume_molar": 5.636300279969344,
"formula_full": "Zn6 B14 Cl2 O26",
"formula_reduced": "Zn3B7ClO13",
"formula_anonymous": "AB3C7D13",
"energy_above_hull": 2.9877007854513886,
"spacegroup": 161
},
{
"id": "jvasp-118573",
"created_at": "2022-09-04T14:38:45.634124Z",
"updated_at": "2022-09-04T14:38:45.634140Z",
"structure_string": "Li1 Sc1 Ir1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nLi Sc Ir\n1 1 1\ndirect\n0.000000 0.000000 -0.002881 Li\n0.000000 0.000000 0.451702 Sc\n0.000000 0.000000 0.217418 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Ir"
],
"chemical_system": "Ir-Li-Sc",
"density": 1.554266649919776,
"density_atomic": 0.011502842018637372,
"volume": 260.805111914019,
"volume_molar": 52.353503162459184,
"formula_full": "Li1 Sc1 Ir1",
"formula_reduced": "LiScIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.98753545,
"spacegroup": 99
},
{
"id": "jvasp-15853",
"created_at": "2022-09-04T14:37:44.405363Z",
"updated_at": "2022-09-04T14:37:44.405390Z",
"structure_string": "Ce3 Al1 C1\n1.0\n4.920082 -0.000000 -0.000000\n0.000000 4.920082 -0.000000\n0.000000 0.000000 4.920082\nCe Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"C"
],
"chemical_system": "Al-C-Ce",
"density": 6.404224773883384,
"density_atomic": 0.0419810195356276,
"volume": 119.10144287364677,
"volume_molar": 14.344913074083994,
"formula_full": "Ce3 Al1 C1",
"formula_reduced": "Ce3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.98741386,
"spacegroup": 221
}
]
}