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=-formula_anonymous&page=579",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=577",
"results": [
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 6.257918333119993,
"density_atomic": 0.0573621916740438,
"volume": 348.6617128168402,
"volume_molar": 10.498449561028538,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.176487841,
"spacegroup": 15
},
{
"id": "jvasp-10134",
"created_at": "2022-09-04T14:36:52.086017Z",
"updated_at": "2022-09-04T14:36:52.086052Z",
"structure_string": "La2 B2 O6\n1.0\n0.000000 4.191599 -0.047497\n5.112303 0.000000 0.000000\n0.000000 -1.951926 -5.996563\nLa B O\n2 2 6\ndirect\n0.378899 0.750000 0.224622 La\n0.621100 0.250000 0.775378 La\n0.004524 0.750000 0.745704 B\n0.995475 0.250000 0.254296 B\n0.159590 0.982894 0.827042 O\n0.840409 0.482894 0.172958 O\n0.325351 0.250000 0.383960 O\n0.674648 0.750000 0.616040 O\n0.840409 0.017105 0.172958 O\n0.159590 0.517105 0.827042 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"B",
"O"
],
"chemical_system": "B-La-O",
"density": 5.09120205349418,
"density_atomic": 0.07753581313500515,
"volume": 128.97265915800776,
"volume_molar": 7.766915076410259,
"formula_full": "La2 B2 O6",
"formula_reduced": "LaBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2339896166666664,
"spacegroup": 11
},
{
"id": "jvasp-47056",
"created_at": "2022-09-04T14:36:52.471173Z",
"updated_at": "2022-09-04T14:36:52.471194Z",
"structure_string": "Co4 Sn4 O12\n1.0\n5.354139 0.000057 0.000173\n-0.000075 5.411343 0.000120\n-0.000146 0.000046 7.791577\nCo Sn O\n4 4 12\ndirect\n0.025159 0.985694 0.750025 Co\n0.525154 0.514311 0.750000 Co\n0.474818 0.485721 0.250016 Co\n0.974826 0.014280 0.250006 Co\n0.499991 0.000014 0.000007 Sn\n0.500002 0.000004 0.499999 Sn\n0.999985 0.499998 0.000006 Sn\n-0.000001 0.499985 0.500002 Sn\n0.165003 0.837043 0.069204 O\n0.665040 0.662977 0.430783 O\n0.665025 0.662988 0.069237 O\n0.902367 0.628722 0.750000 O\n0.097616 0.371254 0.250001 O\n0.835017 0.162929 0.569202 O\n0.334996 0.337037 0.569210 O\n0.834965 0.162982 0.930774 O\n0.165063 0.836991 0.430746 O\n0.597618 0.128749 0.250001 O\n0.334972 0.337050 0.930784 O\n0.402370 0.871281 0.750001 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 6.63907833717252,
"density_atomic": 0.08859514513490842,
"volume": 225.74600413538423,
"volume_molar": 6.79737106455413,
"formula_full": "Co4 Sn4 O12",
"formula_reduced": "CoSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.07238462,
"spacegroup": 62
},
{
"id": "jvasp-100294",
"created_at": "2022-09-04T14:36:53.152816Z",
"updated_at": "2022-09-04T14:36:53.152841Z",
"structure_string": "Dy2 B6 Mo2\n1.0\n3.161115 0.000000 0.000000\n0.000000 5.313796 1.141834\n0.000000 -0.014687 6.880463\nDy B Mo\n2 6 2\ndirect\n0.250000 0.326312 0.708495 Dy\n0.749999 0.673688 0.291504 Dy\n0.250000 0.919819 0.524675 B\n0.749999 0.080182 0.475324 B\n0.250000 0.912523 0.004141 B\n0.749999 0.087477 0.995858 B\n0.250000 0.583648 0.006330 B\n0.749999 0.416352 0.993669 B\n0.250000 0.188430 0.220816 Mo\n0.749999 0.811570 0.779183 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 8.354500862237265,
"density_atomic": 0.08648444542690611,
"volume": 115.62772878565406,
"volume_molar": 6.963264585063126,
"formula_full": "Dy2 B6 Mo2",
"formula_reduced": "DyB3Mo",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.31348603,
"spacegroup": 11
},
{
"id": "jvasp-4498",
"created_at": "2022-09-04T14:36:42.920716Z",
"updated_at": "2022-09-04T14:36:42.920735Z",
"structure_string": "Fe2 P2 S6\n1.0\n5.845396 -0.003140 -0.872360\n-3.120208 4.942973 -0.872360\n-0.000781 -0.001416 6.680485\nFe P S\n2 2 6\ndirect\n0.331992 0.668007 -0.000000 Fe\n0.668008 0.331992 -0.000000 Fe\n0.058077 0.058077 0.172919 P\n0.941923 0.941922 0.827080 P\n0.419957 0.082575 0.247352 S\n0.917425 0.580042 0.752647 S\n0.255750 0.255750 0.754305 S\n0.744250 0.744249 0.245694 S\n0.580043 0.917424 0.752647 S\n0.082575 0.419957 0.247352 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"S"
],
"chemical_system": "Fe-P-S",
"density": 3.1501589860714825,
"density_atomic": 0.05182861832285929,
"volume": 192.94359609793895,
"volume_molar": 11.61933494442375,
"formula_full": "Fe2 P2 S6",
"formula_reduced": "FePS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5208982000000004,
"spacegroup": 12
},
{
"id": "jvasp-102910",
"created_at": "2022-09-04T14:36:58.972719Z",
"updated_at": "2022-09-04T14:36:58.972739Z",
"structure_string": "N1 Cl1 O3\n1.0\n4.972877 0.393154 1.026962\n-1.323166 4.809709 1.026962\n0.283447 0.404069 3.716661\nN Cl O\n1 1 3\ndirect\n0.546338 0.546337 0.456236 N\n0.103930 0.103929 0.874162 Cl\n0.348592 0.348592 0.901757 O\n0.461818 0.749325 0.331422 O\n0.749325 0.461818 0.331421 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.8616297064164737,
"density_atomic": 0.05751712349081892,
"volume": 86.93063381026204,
"volume_molar": 10.470170263228262,
"formula_full": "N1 Cl1 O3",
"formula_reduced": "NClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6634215635,
"spacegroup": 8
},
{
"id": "jvasp-100243",
"created_at": "2022-09-04T14:36:48.144179Z",
"updated_at": "2022-09-04T14:36:48.144198Z",
"structure_string": "Yb1 Pt1 O3\n1.0\n3.939311 -0.000000 -0.000000\n0.000000 3.939311 -0.000000\n-0.000000 0.000000 3.939311\nYb Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Pt",
"O"
],
"chemical_system": "O-Pt-Yb",
"density": 11.303402096914715,
"density_atomic": 0.08179169306278701,
"volume": 61.13090232967514,
"volume_molar": 7.362777972302312,
"formula_full": "Yb1 Pt1 O3",
"formula_reduced": "YbPtO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6296445199999998,
"spacegroup": 221
},
{
"id": "jvasp-55606",
"created_at": "2022-09-04T14:36:43.202838Z",
"updated_at": "2022-09-04T14:36:43.202864Z",
"structure_string": "Li4 I4 O12\n1.0\n5.206316 0.000000 0.000000\n0.000000 5.836815 0.000000\n0.000000 0.000000 9.341019\nLi I O\n4 4 12\ndirect\n0.977082 0.413927 0.481274 Li\n0.977082 0.086073 0.981274 Li\n0.477081 0.586073 0.518726 Li\n0.477081 0.913928 0.018726 Li\n0.511883 0.422273 0.181478 I\n0.011883 0.577728 0.818522 I\n0.511883 0.077727 0.681478 I\n0.011883 0.922274 0.318522 I\n0.190973 0.832450 0.873464 O\n0.690973 0.332449 0.626536 O\n0.690973 0.167551 0.126536 O\n0.190973 0.667552 0.373464 O\n0.180012 0.527756 0.650263 O\n0.173252 0.142520 0.426214 O\n0.673252 0.857481 0.573787 O\n0.180012 0.972246 0.150263 O\n0.680012 0.027755 0.849738 O\n0.680012 0.472245 0.349737 O\n0.673252 0.642521 0.073786 O\n0.173252 0.357480 0.926214 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"I",
"O"
],
"chemical_system": "I-Li-O",
"density": 4.255068622511334,
"density_atomic": 0.07045783391051742,
"volume": 283.85771872295027,
"volume_molar": 8.54715568981047,
"formula_full": "Li4 I4 O12",
"formula_reduced": "LiIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4073033549999998,
"spacegroup": 33
},
{
"id": "jvasp-12606",
"created_at": "2022-09-04T14:36:47.601963Z",
"updated_at": "2022-09-04T14:36:47.601984Z",
"structure_string": "Mn2 Co2 O6\n1.0\n4.261651 0.019674 3.073076\n1.583417 3.956620 3.073076\n0.028920 0.019674 5.254011\nMn Co O\n2 2 6\ndirect\n0.849054 0.849049 0.849052 Mn\n0.150949 0.150947 0.150948 Mn\n0.654275 0.654274 0.654276 Co\n0.345725 0.345725 0.345726 Co\n0.749991 0.437477 0.062933 O\n0.437479 0.062931 0.749990 O\n0.062934 0.749990 0.437479 O\n0.250011 0.562520 0.937066 O\n0.937068 0.250009 0.562522 O\n0.562523 0.937066 0.250011 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 6.114695374389019,
"density_atomic": 0.11374462116449222,
"volume": 87.91624516062576,
"volume_molar": 5.294440034479571,
"formula_full": "Mn2 Co2 O6",
"formula_reduced": "MnCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8591757282758623,
"spacegroup": 148
},
{
"id": "jvasp-106892",
"created_at": "2022-09-04T14:36:48.188533Z",
"updated_at": "2022-09-04T14:36:48.188552Z",
"structure_string": "Na2 Fe2 O6\n1.0\n4.957467 0.000025 0.000011\n2.478747 3.750090 2.090247\n-0.000029 -0.030402 5.933117\nNa Fe O\n2 2 6\ndirect\n0.643624 0.712755 0.930888 Na\n0.356377 0.287243 0.069114 Na\n0.839358 0.321287 0.518065 Fe\n0.160643 0.678712 0.481937 Fe\n0.437998 0.745368 0.298835 O\n0.183366 0.860842 0.701166 O\n0.955790 0.482218 0.701161 O\n0.044210 0.517783 0.298839 O\n0.816636 0.139156 0.298835 O\n0.562001 0.254632 0.701166 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.807935985804862,
"density_atomic": 0.0904020723069483,
"volume": 110.61693327168786,
"volume_molar": 6.661507426016317,
"formula_full": "Na2 Fe2 O6",
"formula_reduced": "NaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.821235,
"spacegroup": 148
},
{
"id": "jvasp-1237",
"created_at": "2022-09-04T14:36:48.261041Z",
"updated_at": "2022-09-04T14:36:48.261068Z",
"structure_string": "Sr2 Ti2 O6\n1.0\n4.803531 0.000000 -2.772782\n-1.600556 4.529032 -2.772782\n0.008685 0.012282 5.562225\nSr Ti O\n2 2 6\ndirect\n0.750000 0.250000 0.500001 Sr\n0.250000 0.749999 0.500000 Sr\n0.499999 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.772962 0.272962 0.000000 O\n0.727036 0.772962 -0.000000 O\n0.272962 0.227037 -0.000000 O\n0.227037 0.727037 -0.000000 O\n0.250000 0.250000 0.500001 O\n0.749999 0.749999 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti",
"density": 5.022188528838611,
"density_atomic": 0.08241625551917874,
"volume": 121.33528679512675,
"volume_molar": 7.306981762352226,
"formula_full": "Sr2 Ti2 O6",
"formula_reduced": "SrTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5513030286666667,
"spacegroup": 140
},
{
"id": "jvasp-107174",
"created_at": "2022-09-04T14:36:44.138090Z",
"updated_at": "2022-09-04T14:36:44.138120Z",
"structure_string": "Cu1 Pb1 O3\n1.0\n3.866438 -0.000000 0.000000\n0.000000 3.866438 0.000000\n-0.000000 -0.000000 3.866438\nCu Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb",
"density": 9.157105904774442,
"density_atomic": 0.08650413204669437,
"volume": 57.80070710727475,
"volume_molar": 6.961679884550819,
"formula_full": "Cu1 Pb1 O3",
"formula_reduced": "CuPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3661403539999997,
"spacegroup": 221
}
]
}