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=940",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=938",
"results": [
{
"id": "jvasp-97834",
"created_at": "2022-09-04T14:35:48.298928Z",
"updated_at": "2022-09-04T14:35:48.298946Z",
"structure_string": "Sc4 Se6 O18\n1.0\n8.066422 0.000000 -0.000000\n-4.033211 6.985726 0.000000\n0.000000 0.000000 7.692224\nSc Se O\n4 6 18\ndirect\n0.333334 0.666667 0.454688 Sc\n0.666667 0.333333 0.954688 Sc\n0.666667 0.333333 0.545311 Sc\n0.333334 0.666667 0.045312 Sc\n0.706142 0.967026 0.750000 Se\n0.967026 0.260884 0.250000 Se\n0.032975 0.739117 0.750000 Se\n0.293858 0.032974 0.250000 Se\n0.260884 0.293858 0.750000 Se\n0.739116 0.706142 0.250000 Se\n0.232589 0.410140 0.576484 O\n0.410140 0.177551 0.076484 O\n0.878435 0.489422 0.750000 O\n0.389013 0.878436 0.250000 O\n0.410140 0.177551 0.423516 O\n0.610987 0.121565 0.750000 O\n0.121565 0.510578 0.250000 O\n0.177552 0.767411 0.576484 O\n0.822449 0.232589 0.076484 O\n0.767411 0.589860 0.076484 O\n0.589860 0.822449 0.576484 O\n0.589860 0.822449 0.923515 O\n0.767411 0.589860 0.423516 O\n0.822449 0.232589 0.423516 O\n0.177552 0.767411 0.923515 O\n0.232589 0.410140 0.923515 O\n0.510578 0.389013 0.750000 O\n0.489422 0.610987 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Se",
"O"
],
"chemical_system": "O-Sc-Se",
"density": 3.6071035942167784,
"density_atomic": 0.06459718945271682,
"volume": 433.45539081843725,
"volume_molar": 9.322604916748004,
"formula_full": "Sc4 Se6 O18",
"formula_reduced": "Sc2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.60637015,
"spacegroup": 176
},
{
"id": "jvasp-88474",
"created_at": "2022-09-04T14:35:52.155450Z",
"updated_at": "2022-09-04T14:35:52.155484Z",
"structure_string": "K8 U2 P4 O20\n1.0\n6.904584 0.000000 0.000000\n0.000000 6.904584 0.000000\n-0.000000 -0.000000 11.903618\nK U P O\n8 2 4 20\ndirect\n0.750000 0.502195 0.921515 K\n0.250000 0.497805 0.078485 K\n0.750000 0.997804 0.921515 K\n0.002195 0.250000 0.578485 K\n0.250000 0.002195 0.078485 K\n0.497805 0.250000 0.578485 K\n0.997804 0.750000 0.421515 K\n0.502195 0.750000 0.421515 K\n0.750000 0.250000 0.250000 U\n0.250000 0.750000 0.750000 U\n0.750000 0.750000 0.168990 P\n0.250000 0.250000 0.331010 P\n0.250000 0.250000 0.831010 P\n0.750000 0.750000 0.668990 P\n0.750000 0.250000 0.093717 O\n0.250000 0.750000 0.906284 O\n0.065181 0.250000 0.901715 O\n0.250000 0.065181 0.401714 O\n0.074254 0.250000 0.245203 O\n0.250000 0.425746 0.745203 O\n0.425746 0.250000 0.245203 O\n0.934818 0.750000 0.098286 O\n0.250000 0.434818 0.401714 O\n0.925746 0.750000 0.754797 O\n0.250000 0.750000 0.593717 O\n0.250000 0.074254 0.745203 O\n0.750000 0.250000 0.406284 O\n0.434818 0.250000 0.901715 O\n0.750000 0.925746 0.254797 O\n0.750000 0.565181 0.598286 O\n0.750000 0.574253 0.254797 O\n0.565181 0.750000 0.098286 O\n0.574253 0.750000 0.754797 O\n0.750000 0.934818 0.598286 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"K",
"U",
"P",
"O"
],
"chemical_system": "K-O-P-U",
"density": 3.6071324020166675,
"density_atomic": 0.05991352893979123,
"volume": 567.4845164631772,
"volume_molar": 10.051387168417032,
"formula_full": "K8 U2 P4 O20",
"formula_reduced": "K4U(PO5)2",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 2.2259172941176475,
"spacegroup": 137
},
{
"id": "jvasp-74902",
"created_at": "2022-09-04T14:35:58.960108Z",
"updated_at": "2022-09-04T14:35:58.960127Z",
"structure_string": "Ca1 Be1 Br2\n1.0\n4.891917 0.000000 0.000000\n0.000000 4.891917 -0.000000\n0.000000 -0.000000 4.018181\nCa Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ca",
"density": 3.607414963650239,
"density_atomic": 0.04159798901139216,
"volume": 96.15849455858424,
"volume_molar": 14.47699973753721,
"formula_full": "Ca1 Be1 Br2",
"formula_reduced": "CaBeBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1617961825,
"spacegroup": 123
},
{
"id": "jvasp-42458",
"created_at": "2022-09-04T14:37:29.518014Z",
"updated_at": "2022-09-04T14:37:29.518042Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n4.996811 -0.024065 0.001560\n2.339293 4.423479 -0.002597\n0.628263 0.187146 13.324195\nLi V O F\n3 6 9 9\ndirect\n0.647994 0.674062 0.884384 Li\n0.964061 0.030852 0.217285 Li\n0.314336 0.355453 0.551901 Li\n0.673287 0.685690 0.670285 V\n0.625360 0.681337 0.157952 V\n0.025717 0.973870 0.001841 V\n0.367761 0.297926 0.825479 V\n0.318286 0.377580 0.337528 V\n0.016570 0.987783 0.492802 V\n0.088237 0.265700 0.421617 O\n0.270536 0.058771 0.913787 O\n0.261865 0.681125 0.415268 O\n0.327393 0.734475 0.082383 O\n0.433613 0.582610 0.756124 O\n0.602785 0.394164 0.248537 O\n0.613216 0.993264 0.750105 O\n0.749676 0.910071 0.085011 O\n0.937938 0.727683 0.581246 O\n0.014384 0.378612 0.746690 F\n0.949593 0.321338 0.088700 F\n0.690223 0.344298 0.579015 F\n0.346880 0.013450 0.246619 F\n0.662580 0.294656 0.922526 F\n0.325420 0.974218 0.587875 F\n0.662084 0.067056 0.416149 F\n0.028418 0.665222 0.911040 F\n0.983050 0.648186 0.253689 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.607551859635948,
"density_atomic": 0.09144562470983975,
"volume": 295.2574285065247,
"volume_molar": 6.585488129266402,
"formula_full": "Li3 V6 O9 F9",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.8252955275,
"spacegroup": 1
},
{
"id": "jvasp-45750",
"created_at": "2022-09-04T14:38:03.440113Z",
"updated_at": "2022-09-04T14:38:03.440138Z",
"structure_string": "Na4 Tb2 P2 C2 O14\n1.0\n0.000000 5.034325 -0.005768\n6.990519 0.000000 0.000000\n0.000000 -0.149542 -9.413625\nTb Na P C O\n2 4 2 2 14\ndirect\n0.771580 0.750000 0.377073 Tb\n0.228419 0.250000 0.622927 Tb\n0.234750 0.488079 0.207315 Na\n0.234750 0.011922 0.207315 Na\n0.765249 0.511922 0.792685 Na\n0.765249 0.988079 0.792685 Na\n0.697042 0.250000 0.410360 P\n0.302957 0.750000 0.589640 P\n0.733264 0.750000 0.083915 C\n0.266735 0.250000 0.916084 C\n0.470149 0.250000 0.828735 O\n0.180287 0.931416 0.654280 O\n0.180287 0.568584 0.654280 O\n0.750260 0.250000 0.575720 O\n0.610709 0.750000 0.608377 O\n0.389291 0.250000 0.391623 O\n0.965505 0.750000 0.148186 O\n0.819712 0.431416 0.345720 O\n0.819712 0.068584 0.345720 O\n0.529851 0.750000 0.171265 O\n0.034494 0.250000 0.851814 O\n0.297266 0.250000 0.049072 O\n0.249740 0.750000 0.424280 O\n0.702733 0.750000 0.950928 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Tb",
"Na",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Tb",
"density": 3.6076762134938343,
"density_atomic": 0.07244289112078678,
"volume": 331.29544705751584,
"volume_molar": 8.312949230531201,
"formula_full": "Na4 Tb2 P2 C2 O14",
"formula_reduced": "Na2TbPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.4268697,
"spacegroup": 11
},
{
"id": "jvasp-42418",
"created_at": "2022-09-04T14:37:29.695813Z",
"updated_at": "2022-09-04T14:37:29.695824Z",
"structure_string": "V4 O8 F4\n1.0\n4.969930 0.001454 0.028776\n2.333887 4.401398 0.026227\n2.180550 1.217621 8.597302\nV O F\n4 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.212494 0.312189 0.250298 V\n0.500000 0.500000 0.500000 V\n0.787506 0.687810 0.749703 V\n0.222389 0.621691 0.120827 O\n0.126923 0.519711 0.627260 O\n0.044905 0.195155 0.127282 O\n0.530486 0.716168 0.623917 O\n0.469515 0.283831 0.376083 O\n0.955097 0.804844 0.872719 O\n0.873078 0.480288 0.372741 O\n0.777611 0.378308 0.879174 O\n0.272472 0.869016 0.377173 F\n0.372630 0.984734 0.872310 F\n0.627371 0.015265 0.127691 F\n0.727529 0.130983 0.622828 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.607685109123665,
"density_atomic": 0.08525118280063311,
"volume": 187.68068048295956,
"volume_molar": 7.063996723756045,
"formula_full": "V4 O8 F4",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6319803706250002,
"spacegroup": 2
},
{
"id": "jvasp-120123",
"created_at": "2022-09-04T14:38:39.200378Z",
"updated_at": "2022-09-04T14:38:39.200400Z",
"structure_string": "Al2 As2\n1.0\n5.634689 -0.899683 -0.454218\n4.783712 -6.528634 0.148352\n2.546649 -0.712801 -3.064723\nAl As\n2 2\ndirect\n0.855465 0.031388 0.022200 Al\n-0.144454 0.531388 0.022126 Al\n0.105515 0.281369 0.522163 As\n0.105575 0.781377 0.522084 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"As"
],
"chemical_system": "Al-As",
"density": 3.6078140191836794,
"density_atomic": 0.04264199153319064,
"volume": 93.80424919616094,
"volume_molar": 14.12255981363495,
"formula_full": "Al2 As2",
"formula_reduced": "AlAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.041667275,
"spacegroup": 216
},
{
"id": "jvasp-87124",
"created_at": "2022-09-04T14:36:06.682613Z",
"updated_at": "2022-09-04T14:36:06.682630Z",
"structure_string": "Li1 Ge1 B1 O4\n1.0\n3.964605 0.000000 -2.166056\n-1.183421 3.783861 -2.166056\n0.007505 0.010210 4.725039\nLi Ge B O\n1 1 1 4\ndirect\n0.500001 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.750000 0.499999 B\n0.156612 0.693048 0.734668 O\n0.578057 0.041622 0.734669 O\n0.958379 0.843387 0.265330 O\n0.306952 0.421943 0.265330 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-Li-O",
"density": 3.6078920612042635,
"density_atomic": 0.09851093398050748,
"volume": 71.05810205174892,
"volume_molar": 6.113169895629668,
"formula_full": "Li1 Ge1 B1 O4",
"formula_reduced": "LiGeBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.226180361904762,
"spacegroup": 82
},
{
"id": "jvasp-114885",
"created_at": "2022-09-04T14:38:43.684843Z",
"updated_at": "2022-09-04T14:38:43.684858Z",
"structure_string": "Al1 B1 N2\n1.0\n2.657203 -0.000000 -0.000000\n0.000000 2.657203 -0.000000\n-0.000000 0.000000 4.289328\nAl B N\n1 1 2\ndirect\n0.500000 0.500000 0.477995 Al\n0.000000 0.000000 -0.077138 B\n0.000000 0.000000 0.578351 N\n0.500000 0.500000 0.030793 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"B",
"N"
],
"chemical_system": "Al-B-N",
"density": 3.608074195530094,
"density_atomic": 0.13207519654169833,
"volume": 30.285777380896295,
"volume_molar": 4.559630360344541,
"formula_full": "Al1 B1 N2",
"formula_reduced": "AlBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.991175470833333,
"spacegroup": 99
},
{
"id": "jvasp-120418",
"created_at": "2022-09-04T14:38:50.508978Z",
"updated_at": "2022-09-04T14:38:50.509009Z",
"structure_string": "Na3 La5 Cl18\n1.0\n7.574853 0.000000 0.000000\n-3.787427 6.560015 0.000000\n-0.000000 -0.000000 12.981480\nNa La Cl\n3 5 18\ndirect\n0.000000 0.000000 0.500000 Na\n0.666666 0.333333 0.343445 Na\n0.666666 0.333333 0.656555 Na\n0.000000 0.000000 0.832797 La\n0.000000 0.000000 0.167203 La\n0.333333 0.666666 0.336568 La\n0.333333 0.666666 -0.000000 La\n0.333333 0.666666 0.663432 La\n0.369682 0.419864 0.834029 Cl\n0.572725 0.957597 0.500000 Cl\n0.580135 0.949817 0.165971 Cl\n0.580135 0.949817 0.834029 Cl\n0.274977 0.023579 0.670141 Cl\n0.274977 0.023579 0.329859 Cl\n0.278227 0.029773 -0.000000 Cl\n0.042402 0.615128 0.500000 Cl\n0.748601 0.725022 0.329859 Cl\n0.050182 0.630317 0.834029 Cl\n0.748601 0.725022 0.670141 Cl\n0.369682 0.419864 0.165971 Cl\n0.751545 0.721773 -0.000000 Cl\n0.976421 0.251398 0.670141 Cl\n0.976421 0.251398 0.329859 Cl\n0.970226 0.248454 -0.000000 Cl\n0.050182 0.630317 0.165971 Cl\n0.384871 0.427274 0.500000 Cl\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"La",
"Cl"
],
"chemical_system": "Cl-La-Na",
"density": 3.6081587107833104,
"density_atomic": 0.04030603686410228,
"volume": 645.0646608512471,
"volume_molar": 14.941039180568737,
"formula_full": "Na3 La5 Cl18",
"formula_reduced": "Na3La5Cl18",
"formula_anonymous": "A3B5C18",
"energy_above_hull": 0.3547594313461539,
"spacegroup": 174
},
{
"id": "jvasp-57639",
"created_at": "2022-09-04T14:38:36.138083Z",
"updated_at": "2022-09-04T14:38:36.138108Z",
"structure_string": "Zr1 B12\n1.0\n4.537241 0.000000 2.619577\n1.512414 4.277751 2.619577\n0.000000 0.000000 5.239154\nZr B\n1 12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.160567 0.500000 0.500000 B\n0.839432 0.500000 0.500001 B\n0.500000 0.500000 0.839433 B\n0.839432 0.160567 0.500000 B\n0.499999 0.839432 0.160568 B\n0.500000 0.160567 0.839432 B\n0.499999 0.839432 0.500001 B\n0.839432 0.500000 0.160568 B\n0.160567 0.839432 0.500001 B\n0.500000 0.160567 0.500000 B\n0.160567 0.500000 0.839433 B\n0.500000 0.500000 0.160568 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.608164946571849,
"density_atomic": 0.1278423774931722,
"volume": 101.6877208865605,
"volume_molar": 4.710598221095841,
"formula_full": "Zr1 B12",
"formula_reduced": "ZrB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.467538115384616,
"spacegroup": 225
},
{
"id": "jvasp-16432",
"created_at": "2022-09-04T14:37:37.119672Z",
"updated_at": "2022-09-04T14:37:37.119694Z",
"structure_string": "Y1 Al3\n1.0\n4.275689 -0.000000 0.000000\n0.000000 4.275689 0.000000\n-0.000000 0.000000 4.275689\nY Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Al"
],
"chemical_system": "Al-Y",
"density": 3.608257427034934,
"density_atomic": 0.05117309282393274,
"volume": 78.1660786804989,
"volume_molar": 11.768178211779986,
"formula_full": "Y1 Al3",
"formula_reduced": "YAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8752584625,
"spacegroup": 221
}
]
}