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=nsites&page=3375",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3373",
"results": [
{
"id": "jvasp-56212",
"created_at": "2022-09-04T14:37:29.700134Z",
"updated_at": "2022-09-04T14:37:29.700158Z",
"structure_string": "Cr8 B4\n1.0\n4.044444 -0.000000 1.168638\n2.022222 3.673653 0.584319\n-0.000801 -0.000000 7.585635\nCr B\n8 4\ndirect\n0.792409 0.250000 0.415181 Cr\n0.207590 0.749999 0.584819 Cr\n0.209393 0.581213 0.250000 Cr\n0.042409 0.749999 0.915181 Cr\n0.790606 0.418786 0.750000 Cr\n0.540606 0.918786 0.250000 Cr\n0.957590 0.250000 0.084819 Cr\n0.459393 0.081213 0.750000 Cr\n0.750482 0.749999 0.499035 B\n0.500482 0.250000 0.999034 B\n0.499517 0.749999 0.000966 B\n0.249517 0.250000 0.500965 B\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 6.765516092974123,
"density_atomic": 0.10646799977704965,
"volume": 112.70992246617496,
"volume_molar": 5.656291817833267,
"formula_full": "Cr8 B4",
"formula_reduced": "Cr2B",
"formula_anonymous": "AB2",
"energy_above_hull": 4.042145794444445,
"spacegroup": 70
},
{
"id": "jvasp-29195",
"created_at": "2022-09-04T14:37:16.290283Z",
"updated_at": "2022-09-04T14:37:16.290303Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.361890 0.000000 0.000000\n-1.680945 2.911271 -0.000006\n-0.000003 -0.000176 39.181856\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333403 0.666803 0.330115 Te\n0.333349 0.666696 0.233152 Te\n0.333266 0.666529 0.093195 Mo\n0.666702 0.333405 0.281612 Mo\n0.333367 0.666730 0.470583 W\n0.666662 0.333323 0.657473 W\n0.666583 0.333164 0.051240 Se\n0.666633 0.333263 0.427873 Se\n0.666633 0.333265 0.135607 Se\n0.666710 0.333418 0.513218 Se\n0.333381 0.666760 0.696064 S\n0.333319 0.666635 0.618614 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.173300772395239,
"density_atomic": 0.0312917684724888,
"volume": 383.4874341010863,
"volume_molar": 19.245127565399713,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.528775066666667,
"spacegroup": 156
},
{
"id": "jvasp-42397",
"created_at": "2022-09-04T14:37:29.581515Z",
"updated_at": "2022-09-04T14:37:29.581547Z",
"structure_string": "Na2 Co4 O6\n1.0\n5.016849 2.906880 0.000000\n-5.016849 2.906880 0.000000\n0.000000 0.000000 5.191404\nNa Co O\n2 4 6\ndirect\n0.323014 0.323014 0.999485 Na\n0.676986 0.676986 0.499485 Na\n0.333078 0.994015 0.518715 Co\n0.005985 0.666922 0.018715 Co\n0.994015 0.333078 0.518715 Co\n0.666922 0.005985 0.018715 Co\n0.061558 0.665257 0.382229 O\n0.334743 0.938442 0.882229 O\n0.283599 0.283599 0.459524 O\n0.716401 0.716401 0.959523 O\n0.665257 0.061558 0.382229 O\n0.938442 0.334743 0.882229 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.142219898482362,
"density_atomic": 0.07925164573777214,
"volume": 151.41641398470892,
"volume_molar": 7.598757986586247,
"formula_full": "Na2 Co4 O6",
"formula_reduced": "NaCo2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.233465216666666,
"spacegroup": 36
},
{
"id": "jvasp-29063",
"created_at": "2022-09-04T14:37:29.590950Z",
"updated_at": "2022-09-04T14:37:29.590978Z",
"structure_string": "Te8 Mo3 W1\n1.0\n3.568220 0.000000 0.000004\n-1.784110 3.090163 -0.000027\n0.000045 -0.000318 38.025470\nTe Mo W\n8 3 1\ndirect\n0.333343 0.666692 0.329560 Te\n0.333354 0.666716 0.704552 Te\n0.666648 0.333294 0.046997 Te\n0.666660 0.333299 0.421636 Te\n0.666648 0.333299 0.142258 Te\n0.666669 0.333324 0.517280 Te\n0.333339 0.666680 0.234250 Te\n0.333343 0.666691 0.609299 Te\n0.333314 0.666630 0.094583 Mo\n0.666675 0.333353 0.281909 Mo\n0.666682 0.333371 0.656965 Mo\n0.333331 0.666644 0.469458 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 5.910771841794038,
"density_atomic": 0.028620264564943137,
"volume": 419.28333586052025,
"volume_molar": 21.041527223953405,
"formula_full": "Te8 Mo3 W1",
"formula_reduced": "Te8Mo3W",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.360593319444445,
"spacegroup": 156
},
{
"id": "jvasp-57040",
"created_at": "2022-09-04T14:37:29.609228Z",
"updated_at": "2022-09-04T14:37:29.609248Z",
"structure_string": "Ba1 Zr1 P2 O8\n1.0\n2.654413 -4.597578 -0.000000\n2.654413 4.597578 0.000000\n-0.000000 -0.000000 7.522330\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zr\n0.333332 0.666666 0.252308 P\n0.666666 0.333332 0.747692 P\n0.824277 0.175722 0.673322 O\n0.175722 0.351444 0.326678 O\n0.175722 0.824277 0.326678 O\n0.351444 0.175722 0.673322 O\n0.824276 0.648555 0.673322 O\n0.666666 0.333332 0.949024 O\n0.333332 0.666666 0.050976 O\n0.648555 0.824276 0.326678 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Zr",
"density": 3.784931882186714,
"density_atomic": 0.06535837818992107,
"volume": 183.60308704616116,
"volume_molar": 9.214030284687627,
"formula_full": "Ba1 Zr1 P2 O8",
"formula_reduced": "BaZr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7319782891666664,
"spacegroup": 164
},
{
"id": "jvasp-5410",
"created_at": "2022-09-04T14:37:28.926579Z",
"updated_at": "2022-09-04T14:37:28.926593Z",
"structure_string": "Bi6 Se6\n1.0\n2.133138 -3.694703 -0.000000\n2.133138 3.694703 0.000000\n-0.000000 -0.000000 23.334684\nBi Se\n6 6\ndirect\n0.666667 0.333334 0.538674 Bi\n0.333334 0.666667 0.461325 Bi\n0.666667 0.333334 0.284439 Bi\n0.333334 0.666667 0.715561 Bi\n-0.000000 0.000000 0.121728 Bi\n-0.000000 0.000000 0.878271 Bi\n-0.000000 0.000000 0.351658 Se\n-0.000000 0.000000 0.648342 Se\n0.666667 0.333334 0.795609 Se\n0.333334 0.666667 0.204391 Se\n0.666667 0.333334 0.056501 Se\n0.333334 0.666667 0.943499 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.799603872325718,
"density_atomic": 0.03262502407277233,
"volume": 367.81582055642883,
"volume_molar": 18.4586553762143,
"formula_full": "Bi6 Se6",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5950938333333333,
"spacegroup": 164
},
{
"id": "jvasp-28582",
"created_at": "2022-09-04T14:37:28.960078Z",
"updated_at": "2022-09-04T14:37:28.960098Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.257884 0.000000 0.000000\n-1.628942 2.821338 0.000781\n0.000000 -0.000944 25.664819\nMo Se S\n4 4 4\ndirect\n0.333879 0.667758 0.005446 Mo\n0.332911 0.665822 0.496145 Mo\n0.667089 0.334180 0.255313 Mo\n0.666121 0.332244 0.746012 Mo\n0.332711 0.665425 0.812190 Se\n0.667290 0.334578 0.939268 Se\n0.667145 0.334293 0.071602 Se\n0.332855 0.665709 0.679856 Se\n0.333679 0.667360 0.315533 S\n0.666321 0.332642 0.435925 S\n0.666175 0.332349 0.556394 S\n0.333825 0.667652 0.195064 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 5.827429810802457,
"density_atomic": 0.05086889464663132,
"volume": 235.90054557622815,
"volume_molar": 11.838552423507009,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4768997555555554,
"spacegroup": 164
},
{
"id": "jvasp-9117",
"created_at": "2022-09-04T14:37:16.217759Z",
"updated_at": "2022-09-04T14:37:16.217778Z",
"structure_string": "Fe4 S8\n1.0\n5.421639 0.000000 -0.000000\n-0.000000 5.421639 0.000000\n-0.000000 -0.000000 5.421639\nFe S\n4 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.382644 0.117356 0.882644 S\n0.117356 0.882644 0.382644 S\n0.882644 0.382644 0.117356 S\n0.617356 0.617356 0.617356 S\n0.382644 0.382644 0.382644 S\n0.117356 0.617356 0.882644 S\n0.882644 0.117356 0.617356 S\n0.617356 0.882644 0.117356 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.000438120248708,
"density_atomic": 0.07529904288113537,
"volume": 159.36457544278232,
"volume_molar": 7.997632545617287,
"formula_full": "Fe4 S8",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9303185,
"spacegroup": 205
},
{
"id": "jvasp-36569",
"created_at": "2022-09-04T14:37:29.855576Z",
"updated_at": "2022-09-04T14:37:29.855593Z",
"structure_string": "Cr4 N8\n1.0\n4.355789 -0.000000 0.000000\n-0.000000 4.809664 0.000000\n0.000000 0.000000 5.569198\nCr N\n4 8\ndirect\n0.000000 0.250000 0.913921 Cr\n0.500000 0.749999 0.586079 Cr\n0.000000 0.749999 0.086079 Cr\n0.500000 0.250000 0.413921 Cr\n0.723613 0.076437 0.635420 N\n0.776387 0.576436 0.864581 N\n0.223613 0.923562 0.864581 N\n0.276387 0.423563 0.635420 N\n0.276387 0.923562 0.364581 N\n0.223613 0.423563 0.135420 N\n0.776387 0.076437 0.135420 N\n0.723613 0.576436 0.364581 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 4.554874495509055,
"density_atomic": 0.1028506441068952,
"volume": 116.67403840007171,
"volume_molar": 5.855229019023975,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.4992413,
"spacegroup": 60
},
{
"id": "jvasp-51368",
"created_at": "2022-09-04T14:37:16.154836Z",
"updated_at": "2022-09-04T14:37:16.154858Z",
"structure_string": "Sc1 Mo3 O8\n1.0\n4.844790 0.001342 0.033559\n-0.023091 5.739839 -0.004013\n-0.012225 -2.833610 4.991807\nSc Mo O\n1 3 8\ndirect\n0.264942 0.675527 0.324830 Sc\n0.743361 0.691250 0.837050 Mo\n0.747376 0.148012 0.852347 Mo\n0.743373 0.163287 0.309096 Mo\n0.530418 0.007848 0.507586 O\n0.951694 0.332333 0.668015 O\n-0.004613 0.832396 0.664610 O\n0.975875 0.835891 0.164440 O\n0.530389 0.492750 0.992480 O\n0.460483 0.986821 0.013539 O\n0.995380 0.335754 0.167969 O\n0.522219 0.500214 0.500128 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc",
"density": 5.513908491075859,
"density_atomic": 0.08647816380249067,
"volume": 138.7633533409319,
"volume_molar": 6.963770384572569,
"formula_full": "Sc1 Mo3 O8",
"formula_reduced": "ScMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.849202579166666,
"spacegroup": 8
},
{
"id": "jvasp-58378",
"created_at": "2022-09-04T14:37:29.725472Z",
"updated_at": "2022-09-04T14:37:29.725492Z",
"structure_string": "Ta3 Co9\n1.0\n4.780043 -0.002697 4.994470\n2.003125 4.340082 4.994470\n-0.004217 -0.002697 6.913287\nTa Co\n3 9\ndirect\n0.000000 0.000000 0.000000 Ta\n0.218556 0.218556 0.218557 Ta\n0.781442 0.781442 0.781445 Ta\n0.499999 0.499999 0.000001 Co\n-0.000001 0.499999 0.500001 Co\n0.500000 -0.000001 0.500001 Co\n0.714064 0.241411 0.714066 Co\n0.714063 0.714063 0.241413 Co\n0.241411 0.714063 0.714066 Co\n0.758588 0.285935 0.285937 Co\n0.285935 0.758588 0.285937 Co\n0.285935 0.285935 0.758590 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Co"
],
"chemical_system": "Co-Ta",
"density": 12.411650929379704,
"density_atomic": 0.0835725938536443,
"volume": 143.5877414671954,
"volume_molar": 7.205879921049497,
"formula_full": "Ta3 Co9",
"formula_reduced": "TaCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.068122975,
"spacegroup": 166
},
{
"id": "jvasp-28779",
"created_at": "2022-09-04T14:37:29.731325Z",
"updated_at": "2022-09-04T14:37:29.731339Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384559 -0.000000 -0.000020\n-1.692279 2.931114 0.000000\n-0.000210 -0.000120 36.058748\nTe Mo W Se\n2 3 1 6\ndirect\n0.666677 0.333368 0.416522 Te\n0.666718 0.333424 0.520998 Te\n0.333304 0.666626 0.095902 Mo\n0.333363 0.666728 0.468764 Mo\n0.666665 0.333308 0.276927 Mo\n0.666665 0.333329 0.661323 W\n0.333333 0.666634 0.322830 Se\n0.333338 0.666664 0.707365 Se\n0.666634 0.333298 0.050073 Se\n0.666646 0.333297 0.141788 Se\n0.333329 0.666649 0.231055 Se\n0.333328 0.666668 0.615201 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.573259033525113,
"density_atomic": 0.033545618500536487,
"volume": 357.7218288524949,
"volume_molar": 17.952093385619616,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.626023619444444,
"spacegroup": 156
}
]
}