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&page=972",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=970",
"results": [
{
"id": "jvasp-120971",
"created_at": "2022-09-04T14:38:54.193291Z",
"updated_at": "2022-09-04T14:38:54.193319Z",
"structure_string": "Rb1 Mo1 Cl3\n1.0\n5.074098 0.000000 0.000000\n-0.000000 5.074098 0.000000\n-0.000000 -0.000000 5.074098\nRb Mo Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Rb",
"density": 3.6577433750156256,
"density_atomic": 0.038273083406275124,
"volume": 130.64011454013703,
"volume_molar": 15.734663173264558,
"formula_full": "Rb1 Mo1 Cl3",
"formula_reduced": "RbMoCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9303376205,
"spacegroup": 221
},
{
"id": "jvasp-47023",
"created_at": "2022-09-04T14:38:04.833778Z",
"updated_at": "2022-09-04T14:38:04.833806Z",
"structure_string": "Li2 V4 O2 F10\n1.0\n0.000000 4.667090 0.019733\n4.671661 0.000000 0.000000\n0.000000 -4.584676 -9.173147\nLi V O F\n2 4 2 10\ndirect\n0.000547 0.757264 0.000762 Li\n0.000547 0.242736 0.500762 Li\n0.355201 0.273832 0.834548 V\n0.671093 0.742407 0.679659 V\n0.355201 0.726168 0.334548 V\n0.671093 0.257593 0.179659 V\n0.602295 0.542804 0.812401 O\n0.602296 0.457196 0.312401 O\n0.363968 0.949266 0.168174 F\n0.039078 0.039404 0.331094 F\n0.306094 0.553192 0.502031 F\n0.694716 0.938545 0.504020 F\n0.306094 0.446808 0.002031 F\n0.967009 0.445748 0.667313 F\n0.039077 0.960596 0.831094 F\n0.967009 0.554252 0.167313 F\n0.363968 0.050734 0.668174 F\n0.694717 0.061455 0.004020 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6578012623510308,
"density_atomic": 0.09018937358531916,
"volume": 199.58005344135137,
"volume_molar": 6.677217637289668,
"formula_full": "Li2 V4 O2 F10",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1282048125,
"spacegroup": 7
},
{
"id": "jvasp-57545",
"created_at": "2022-09-04T14:37:15.563113Z",
"updated_at": "2022-09-04T14:37:15.563135Z",
"structure_string": "V2 F6\n1.0\n4.478165 0.069291 2.975748\n1.631193 4.171088 2.975748\n0.099833 0.069291 5.375786\nV F\n2 6\ndirect\n0.500000 0.500000 0.500001 V\n0.000000 0.000000 0.000000 V\n0.120610 0.750000 0.379390 F\n0.750001 0.379389 0.120611 F\n0.620610 0.879390 0.250001 F\n0.249999 0.620610 0.879391 F\n0.879390 0.250000 0.620611 F\n0.379390 0.120610 0.750001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.657813080249829,
"density_atomic": 0.08163252458696779,
"volume": 98.0001542335879,
"volume_molar": 7.377134041204704,
"formula_full": "V2 F6",
"formula_reduced": "VF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2243262618750001,
"spacegroup": 167
},
{
"id": "jvasp-42155",
"created_at": "2022-09-04T14:36:44.867239Z",
"updated_at": "2022-09-04T14:36:44.867260Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n-0.000001 -2.036057 -2.036034\n0.010267 4.154855 -4.154837\n6.217621 0.027940 -2.063978\nLi V O F\n4 2 4 2\ndirect\n0.000618 0.485369 -0.001239 Li\n0.332745 0.181304 0.334561 Li\n0.666636 0.333331 0.666666 Li\n0.666642 0.833337 0.666663 Li\n0.992328 0.004777 0.015330 V\n0.341014 0.661886 0.318008 V\n0.504600 0.238286 0.990785 O\n0.499883 0.758644 0.000231 O\n0.828735 0.428378 0.342553 O\n0.833464 0.908022 0.333105 O\n0.163796 0.078659 0.672383 F\n0.169532 0.588008 0.660956 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6580461330922684,
"density_atomic": 0.11412088574334357,
"volume": 105.15165494761273,
"volume_molar": 5.276983893678953,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.490610247083334,
"spacegroup": 12
},
{
"id": "jvasp-70764",
"created_at": "2022-09-04T14:35:49.288211Z",
"updated_at": "2022-09-04T14:35:49.288239Z",
"structure_string": "Be2 Se1 Cl1\n1.0\n4.380306 0.000000 -0.000000\n0.000000 4.380306 -0.000000\n-0.000000 0.000000 3.133138\nBe Se Cl\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Se",
"Cl"
],
"chemical_system": "Be-Cl-Se",
"density": 3.658231630302482,
"density_atomic": 0.06653827938761771,
"volume": 60.11577150497179,
"volume_molar": 9.050640947473429,
"formula_full": "Be2 Se1 Cl1",
"formula_reduced": "Be2SeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3922299085416667,
"spacegroup": 123
},
{
"id": "jvasp-99641",
"created_at": "2022-09-04T14:36:37.443240Z",
"updated_at": "2022-09-04T14:36:37.443263Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n4.970901 -0.000000 2.869951\n1.656967 4.686610 2.869951\n-0.000000 -0.000000 5.739902\nSr Li Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Cd"
],
"chemical_system": "Cd-Li-Sr",
"density": 3.6582353331908117,
"density_atomic": 0.02991311117381845,
"volume": 133.7206276123165,
"volume_molar": 20.132111049922816,
"formula_full": "Sr2 Li1 Cd1",
"formula_reduced": "Sr2LiCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98298",
"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-K-O",
"density": 3.658312606419128,
"density_atomic": 0.06831640124278991,
"volume": 878.2664032135677,
"volume_molar": 8.815073174885036,
"formula_full": "K8 Fe8 As8 O36",
"formula_reduced": "K2Fe2As2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.4929354666666668,
"spacegroup": 62
},
{
"id": "jvasp-46993",
"created_at": "2022-09-04T14:38:02.686874Z",
"updated_at": "2022-09-04T14:38:02.686897Z",
"structure_string": "Na2 Ni1 O2\n1.0\n-2.869769 0.000849 -0.005107\n-0.001256 -4.557746 -0.007116\n1.426967 2.271372 4.749037\nNa Ni O\n2 1 2\ndirect\n0.320402 0.819015 0.646743 Na\n0.673040 0.171610 0.351958 Na\n0.996721 0.495303 0.999362 Ni\n0.628250 0.626838 0.262437 O\n0.365209 0.363807 0.736294 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 3.6583227292470735,
"density_atomic": 0.08059798851162966,
"volume": 62.036287658451165,
"volume_molar": 7.471825130140875,
"formula_full": "Na2 Ni1 O2",
"formula_reduced": "Na2NiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6738554799999996,
"spacegroup": 71
},
{
"id": "jvasp-61681",
"created_at": "2022-09-04T14:35:51.202143Z",
"updated_at": "2022-09-04T14:35:51.202154Z",
"structure_string": "Sr22 Al8 Sn6\n1.0\n0.000000 8.653872 8.653872\n8.653872 -0.000000 8.653872\n8.653872 8.653872 -0.000000\nSr Al Sn\n22 8 6\ndirect\n0.128749 0.128749 0.128749 Sr\n0.871250 0.871250 0.871250 Sr\n0.386247 0.871250 0.871250 Sr\n0.871250 0.386247 0.871250 Sr\n0.871250 0.871250 0.386247 Sr\n0.166346 0.500000 0.833653 Sr\n0.500000 0.833653 0.500000 Sr\n0.128749 0.128749 0.613753 Sr\n0.500000 0.166346 0.500000 Sr\n0.166346 0.833653 0.500000 Sr\n0.500000 0.500000 0.166346 Sr\n0.500000 0.500000 0.833653 Sr\n0.833653 0.166346 0.500000 Sr\n0.166346 0.500000 0.500000 Sr\n0.500000 0.166346 0.833653 Sr\n0.833653 0.500000 0.166346 Sr\n0.128749 0.613753 0.128749 Sr\n0.833653 0.500000 0.500000 Sr\n0.613753 0.128749 0.128749 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.833653 0.166346 Sr\n0.305945 0.305945 0.305945 Al\n0.305945 0.082165 0.305945 Al\n0.305945 0.305945 0.082165 Al\n0.694055 0.694055 0.694055 Al\n0.917835 0.694055 0.694055 Al\n0.694055 0.917835 0.694055 Al\n0.082165 0.305945 0.305945 Al\n0.694055 0.694055 0.917835 Al\n0.216810 0.783190 0.216810 Sn\n0.783190 0.783190 0.216810 Sn\n0.216810 0.216810 0.783190 Sn\n0.783190 0.216810 0.216810 Sn\n0.216810 0.783190 0.783190 Sn\n0.783190 0.216810 0.783190 Sn\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Sn"
],
"chemical_system": "Al-Sn-Sr",
"density": 3.658543614037405,
"density_atomic": 0.02777417089577194,
"volume": 1296.1683045408306,
"volume_molar": 21.682522162765082,
"formula_full": "Sr22 Al8 Sn6",
"formula_reduced": "Sr11Al4Sn3",
"formula_anonymous": "A3B4C11",
"energy_above_hull": 0.0990275394444444,
"spacegroup": 225
},
{
"id": "jvasp-95283",
"created_at": "2022-09-04T14:35:57.026841Z",
"updated_at": "2022-09-04T14:35:57.026861Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"N"
],
"chemical_system": "Al-Li-N-Sr",
"density": 3.65867170464208,
"density_atomic": 0.08564559886062445,
"volume": 420.3368355049356,
"volume_molar": 7.031465527843578,
"formula_full": "Sr4 Li4 Al12 N16",
"formula_reduced": "SrLiAl3N4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.239366412222222,
"spacegroup": 2
},
{
"id": "jvasp-47668",
"created_at": "2022-09-04T14:37:19.255308Z",
"updated_at": "2022-09-04T14:37:19.255331Z",
"structure_string": "Li4 Cr2 Ni2 P4 O16\n1.0\n0.000000 4.708693 -0.033133\n6.037738 0.000000 0.000000\n0.000000 -0.076285 -10.041202\nLi Cr Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.525060 0.250000 0.220909 Cr\n0.474940 0.750000 0.779091 Cr\n0.043164 0.750000 0.278779 Ni\n0.956837 0.250000 0.721221 Ni\n0.421188 0.250000 0.907756 P\n0.914288 0.750000 0.594784 P\n0.085712 0.250000 0.405216 P\n0.578813 0.750000 0.092243 P\n0.287381 0.041696 0.839621 O\n0.287381 0.458304 0.839621 O\n0.770207 0.548187 0.666585 O\n0.770207 0.951814 0.666585 O\n0.241509 0.750000 0.603969 O\n0.196229 0.250000 0.550030 O\n0.803772 0.750000 0.449970 O\n0.253163 0.750000 0.092869 O\n0.229793 0.048187 0.333415 O\n0.229793 0.451814 0.333415 O\n0.712619 0.541696 0.160379 O\n0.712619 0.958304 0.160379 O\n0.746837 0.250000 0.907130 O\n0.295458 0.250000 0.052816 O\n0.758491 0.250000 0.396031 O\n0.704543 0.750000 0.947184 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Ni",
"P",
"O"
],
"chemical_system": "Cr-Li-Ni-O-P",
"density": 3.658776029628819,
"density_atomic": 0.09807864834213112,
"volume": 285.48517412604053,
"volume_molar": 6.1401139410004495,
"formula_full": "Li4 Cr2 Ni2 P4 O16",
"formula_reduced": "Li2CrNi(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.7156563428571427,
"spacegroup": 11
},
{
"id": "jvasp-114097",
"created_at": "2022-09-04T14:38:47.214780Z",
"updated_at": "2022-09-04T14:38:47.214794Z",
"structure_string": "Ba2 Te1\n1.0\n4.610206 0.000000 0.000000\n0.000000 4.439841 0.000000\n0.000000 0.000000 8.919158\nBa Te\n2 1\ndirect\n-0.033333 0.000000 0.731990 Ba\n-0.033333 0.000000 0.268011 Ba\n0.466667 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 3.658793193427851,
"density_atomic": 0.016432727304265583,
"volume": 182.5625134801126,
"volume_molar": 36.64723845588785,
"formula_full": "Ba2 Te1",
"formula_reduced": "Ba2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3710619899999999,
"spacegroup": 47
}
]
}