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=1078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1076",
"results": [
{
"id": "jvasp-5473",
"created_at": "2022-09-04T14:37:57.396425Z",
"updated_at": "2022-09-04T14:37:57.396462Z",
"structure_string": "Zr2 Fe2 Cl12\n1.0\n3.113815 -5.393285 0.000000\n3.113815 5.393285 0.000000\n0.000000 0.000000 11.713574\nZr Fe Cl\n2 2 12\ndirect\n0.333332 0.666666 0.750000 Zr\n0.666666 0.333332 0.250000 Zr\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.013846 0.331147 0.871363 Cl\n0.317299 0.986153 0.871363 Cl\n0.668852 0.682699 0.871363 Cl\n0.668852 0.986153 0.628636 Cl\n0.682699 0.668852 0.371363 Cl\n0.986153 0.317299 0.371363 Cl\n0.331147 0.013846 0.371363 Cl\n0.331146 0.317300 0.128637 Cl\n0.682699 0.013845 0.128637 Cl\n0.986153 0.668852 0.128637 Cl\n0.317300 0.331146 0.628636 Cl\n0.013845 0.682699 0.628636 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Zr",
"density": 3.037099093309285,
"density_atomic": 0.04066814698318164,
"volume": 393.4283016783828,
"volume_molar": 14.808003822968535,
"formula_full": "Zr2 Fe2 Cl12",
"formula_reduced": "ZrFeCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.036325550625,
"spacegroup": 163
},
{
"id": "jvasp-57099",
"created_at": "2022-09-04T14:37:10.561827Z",
"updated_at": "2022-09-04T14:37:10.561853Z",
"structure_string": "Yb4 Pr2 Dy2 S12\n1.0\n0.000000 10.862447 -0.016495\n4.099566 0.000000 0.000000\n0.000000 -2.901733 -11.038038\nYb Pr Dy S\n4 2 2 12\ndirect\n0.328417 0.250000 0.414571 Yb\n0.052487 0.250000 0.649413 Yb\n0.947514 0.750001 0.350587 Yb\n0.671583 0.750001 0.585428 Yb\n0.472244 0.250000 0.818042 Pr\n0.527757 0.750001 0.181958 Pr\n0.169735 0.750001 0.030711 Dy\n0.830265 0.250000 0.969289 Dy\n0.272474 0.750001 0.727385 S\n0.700072 0.250000 0.740625 S\n0.950263 0.750001 0.105634 S\n0.049738 0.250000 0.894366 S\n0.299929 0.750001 0.259374 S\n0.403094 0.750001 0.614930 S\n0.596907 0.250000 0.385069 S\n0.629218 0.750001 0.967882 S\n0.099352 0.250000 0.429225 S\n0.370782 0.250000 0.032118 S\n0.900649 0.750001 0.570775 S\n0.727527 0.250000 0.272615 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Pr",
"Dy",
"S"
],
"chemical_system": "Dy-Pr-S-Yb",
"density": 5.6858748936023495,
"density_atomic": 0.0406723458745536,
"volume": 491.7346066461555,
"volume_molar": 14.806475088931899,
"formula_full": "Yb4 Pr2 Dy2 S12",
"formula_reduced": "Yb2PrDyS6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.3500067750000002,
"spacegroup": 11
},
{
"id": "jvasp-91497",
"created_at": "2022-09-04T14:35:43.425085Z",
"updated_at": "2022-09-04T14:35:43.425111Z",
"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n5.999341 0.043592 0.000000\n-0.243523 7.685208 0.000000\n0.000000 0.000000 12.795199\nAg Sb Pb S\n4 4 4 12\ndirect\n0.224889 0.883921 0.741598 Ag\n0.775111 0.116079 0.258402 Ag\n0.775111 0.616079 0.241598 Ag\n0.224889 0.383921 0.758402 Ag\n0.735219 0.635373 0.911481 Sb\n0.264781 0.864627 0.411480 Sb\n0.264781 0.364627 0.088520 Sb\n0.735219 0.135373 0.588520 Sb\n0.251802 0.853710 0.082847 Pb\n0.251802 0.353709 0.417153 Pb\n0.748199 0.646291 0.582847 Pb\n0.748198 0.146290 0.917153 Pb\n0.856741 0.360313 0.125339 S\n0.260605 0.648755 0.560354 S\n0.143259 0.139687 0.625339 S\n0.260604 0.148755 0.939646 S\n0.739396 0.351245 0.439646 S\n0.143259 0.639687 0.874661 S\n0.856741 0.860313 0.374661 S\n0.739396 0.851245 0.060354 S\n0.340210 0.637245 0.277251 S\n0.340210 0.137245 0.222749 S\n0.659790 0.862755 0.777251 S\n0.659790 0.362755 0.722749 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 5.999968914821515,
"density_atomic": 0.040672890830830206,
"volume": 590.0736217600719,
"volume_molar": 14.806276704175632,
"formula_full": "Ag4 Sb4 Pb4 S12",
"formula_reduced": "AgSbPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2838456966666667,
"spacegroup": 14
},
{
"id": "jvasp-5491",
"created_at": "2022-09-04T14:35:54.379163Z",
"updated_at": "2022-09-04T14:35:54.379179Z",
"structure_string": "V4 Se18\n1.0\n8.175157 -0.044490 -0.492723\n-0.570495 8.076229 -1.318988\n-0.040718 -0.030108 8.202932\nV Se\n4 18\ndirect\n0.083841 0.135975 0.601158 V\n0.416159 0.398842 0.864025 V\n0.916159 0.864025 0.398842 V\n0.583841 0.601158 0.135975 V\n0.458537 0.707812 0.406900 Se\n0.041463 0.593100 0.292188 Se\n0.823348 0.993446 0.678604 Se\n0.676651 0.321395 0.006554 Se\n0.176651 0.006553 0.321395 Se\n0.323348 0.678604 0.993446 Se\n0.057043 0.846585 0.679759 Se\n0.442957 0.320240 0.153415 Se\n0.557043 0.679760 0.846585 Se\n0.250000 0.414642 0.585357 Se\n0.112896 0.290803 0.912137 Se\n0.387103 0.087863 0.709197 Se\n0.887103 0.709197 0.087863 Se\n0.612896 0.912137 0.290803 Se\n0.958537 0.406900 0.707812 Se\n0.541463 0.292188 0.593100 Se\n0.942957 0.153414 0.320240 Se\n0.750000 0.585357 0.414643 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 4.988927648240748,
"density_atomic": 0.04067383570003376,
"volume": 540.8882546079061,
"volume_molar": 14.805932748543313,
"formula_full": "V4 Se18",
"formula_reduced": "V2Se9",
"formula_anonymous": "A2B9",
"energy_above_hull": 2.3005462454545453,
"spacegroup": 15
},
{
"id": "jvasp-58848",
"created_at": "2022-09-04T14:38:14.801698Z",
"updated_at": "2022-09-04T14:38:14.801730Z",
"structure_string": "V4 Se18\n1.0\n8.174908 -0.044258 -0.492512\n-0.570289 8.076320 -1.319084\n-0.040501 -0.030176 8.203024\nV Se\n4 18\ndirect\n0.083826 0.135997 0.601145 V\n0.416175 0.398854 0.864003 V\n0.916175 0.864003 0.398855 V\n0.583826 0.601145 0.135997 V\n0.458513 0.707791 0.406937 Se\n0.041487 0.593064 0.292209 Se\n0.823334 0.993472 0.678606 Se\n0.676666 0.321394 0.006527 Se\n0.176666 0.006527 0.321394 Se\n0.323334 0.678605 0.993473 Se\n0.057052 0.846617 0.679783 Se\n0.442948 0.320216 0.153383 Se\n0.557052 0.679783 0.846617 Se\n0.250000 0.414661 0.585338 Se\n0.112885 0.290835 0.912115 Se\n0.387115 0.087884 0.709165 Se\n0.887115 0.709165 0.087885 Se\n0.612885 0.912115 0.290835 Se\n0.958513 0.406936 0.707791 Se\n0.541487 0.292208 0.593064 Se\n0.942948 0.153382 0.320217 Se\n0.750000 0.585338 0.414662 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 4.988954997277413,
"density_atomic": 0.040674058671843004,
"volume": 540.8852895034472,
"volume_molar": 14.8058515836505,
"formula_full": "V4 Se18",
"formula_reduced": "V2Se9",
"formula_anonymous": "A2B9",
"energy_above_hull": 2.300579881818181,
"spacegroup": 15
},
{
"id": "jvasp-39370",
"created_at": "2022-09-04T14:37:53.042620Z",
"updated_at": "2022-09-04T14:37:53.042630Z",
"structure_string": "Lu2 Tl1 Hg1\n1.0\n-0.000182 3.663471 3.663471\n3.663471 -0.000182 3.663471\n3.663471 3.663471 -0.000182\nLu Tl Hg\n2 1 1\ndirect\n0.000008 0.000008 0.000008 Lu\n0.499990 0.499990 0.499990 Lu\n0.749999 0.749999 0.749999 Tl\n0.250002 0.250002 0.250002 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"Hg"
],
"chemical_system": "Hg-Lu-Tl",
"density": 12.746826970431073,
"density_atomic": 0.04067423180876803,
"volume": 98.34236129661166,
"volume_molar": 14.805788559974287,
"formula_full": "Lu2 Tl1 Hg1",
"formula_reduced": "Lu2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.008969675,
"spacegroup": 225
},
{
"id": "jvasp-50879",
"created_at": "2022-09-04T14:36:13.917358Z",
"updated_at": "2022-09-04T14:36:13.917383Z",
"structure_string": "Li3 Cr1 S4\n1.0\n5.815533 -0.000000 0.000000\n-0.000000 5.815533 0.000000\n-0.000000 -0.000000 5.815533\nLi Cr S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.211862 0.211862 0.211862 S\n0.211862 0.788138 0.788138 S\n0.788138 0.211862 0.788138 S\n0.788138 0.788138 0.211862 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 1.6976472599061898,
"density_atomic": 0.040674424198303624,
"volume": 196.68379227685907,
"volume_molar": 14.805718528773076,
"formula_full": "Li3 Cr1 S4",
"formula_reduced": "Li3CrS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9787184250000005,
"spacegroup": 215
},
{
"id": "jvasp-35099",
"created_at": "2022-09-04T14:37:35.175196Z",
"updated_at": "2022-09-04T14:37:35.175207Z",
"structure_string": "Th2 As2 Se2\n1.0\n4.151712 0.000000 0.000000\n0.000000 4.151712 -0.000000\n0.000000 0.000000 8.557857\nTh As Se\n2 2 2\ndirect\n0.500000 0.000000 0.734904 Th\n0.000000 0.500000 0.265096 Th\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.368877 Se\n0.000000 0.500000 0.631123 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"As",
"Se"
],
"chemical_system": "As-Se-Th",
"density": 8.688734619593983,
"density_atomic": 0.04067539569523021,
"volume": 147.5093209899268,
"volume_molar": 14.805364906889364,
"formula_full": "Th2 As2 Se2",
"formula_reduced": "ThAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.597950238888889,
"spacegroup": 129
},
{
"id": "jvasp-13421",
"created_at": "2022-09-04T14:36:59.057565Z",
"updated_at": "2022-09-04T14:36:59.057593Z",
"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223875 -0.069933\n7.127005 0.000000 0.000000\n0.000000 -2.044794 -12.170257\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700369 0.788127 0.978969 S\n0.700369 0.711872 0.478969 S\n0.299630 0.211873 0.021031 S\n0.299631 0.288127 0.521031 S\n0.256872 0.664198 0.624567 Cl\n0.743128 0.164198 0.875433 Cl\n0.743128 0.335801 0.375433 Cl\n0.256872 0.835801 0.124567 Cl\n0.298098 0.159126 0.666866 Cl\n0.701902 0.659126 0.833134 Cl\n0.701902 0.840873 0.333134 Cl\n0.219452 0.074866 0.413287 Cl\n0.780548 0.574866 0.086713 Cl\n0.171579 0.894621 0.854213 Cl\n0.219452 0.425133 0.913287 Cl\n0.780548 0.925133 0.586713 Cl\n0.828421 0.105379 0.145787 Cl\n0.171579 0.605378 0.354213 Cl\n0.298098 0.340874 0.166866 Cl\n0.828421 0.394621 0.645787 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pt",
"S",
"Cl"
],
"chemical_system": "Cl-Pt-S",
"density": 3.333208983040695,
"density_atomic": 0.0406757799819371,
"volume": 540.8624004203372,
"volume_molar": 14.805225032376152,
"formula_full": "Pt2 S4 Cl16",
"formula_reduced": "Pt(SCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.7631849036363636,
"spacegroup": 14
},
{
"id": "jvasp-101181",
"created_at": "2022-09-04T14:36:41.703087Z",
"updated_at": "2022-09-04T14:36:41.703105Z",
"structure_string": "La2 Al3 Ge1\n1.0\n4.380415 0.000000 0.000000\n-2.190208 3.793551 0.000000\n-0.000000 -0.000000 8.876731\nLa Al Ge\n2 3 1\ndirect\n0.666667 0.333333 0.249151 La\n0.666667 0.333333 0.750849 La\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 -0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 4.8563560539761665,
"density_atomic": 0.04067588460932769,
"volume": 147.5075479642819,
"volume_molar": 14.805186950055953,
"formula_full": "La2 Al3 Ge1",
"formula_reduced": "La2Al3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6709790583333333,
"spacegroup": 187
},
{
"id": "jvasp-52016",
"created_at": "2022-09-04T14:37:37.746217Z",
"updated_at": "2022-09-04T14:37:37.746244Z",
"structure_string": "Fe1 Bi1 O3\n1.0\n4.764233 -0.253489 2.299534\n1.337287 4.579721 2.299532\n-0.357508 -0.253487 5.278065\nFe Bi O\n1 1 3\ndirect\n0.280407 0.280407 0.280407 Fe\n0.029084 0.029084 0.029084 Bi\n0.024932 0.186302 0.593274 O\n0.593274 0.024932 0.186302 O\n0.186303 0.593274 0.024931 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 4.225914631750613,
"density_atomic": 0.040676363229852866,
"volume": 122.92151025759452,
"volume_molar": 14.805012744060361,
"formula_full": "Fe1 Bi1 O3",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.28324406,
"spacegroup": 146
},
{
"id": "jvasp-120849",
"created_at": "2022-09-04T14:38:54.774429Z",
"updated_at": "2022-09-04T14:38:54.774462Z",
"structure_string": "Ba1 C1 N1\n1.0\n4.519046 0.000000 -0.000000\n-2.259523 3.913608 0.000000\n0.000000 -0.000000 4.170133\nBa C N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333335 0.666666 0.000000 C\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"C",
"N"
],
"chemical_system": "Ba-C-N",
"density": 3.6777258798999926,
"density_atomic": 0.040676845241905596,
"volume": 73.75203219814543,
"volume_molar": 14.804837307776134,
"formula_full": "Ba1 C1 N1",
"formula_reduced": "BaCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9798564066666655,
"spacegroup": 187
}
]
}