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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1247",
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"results": [
{
"id": "jvasp-32420",
"created_at": "2022-09-04T14:38:06.397150Z",
"updated_at": "2022-09-04T14:38:06.397179Z",
"structure_string": "Sb2 P2 O4 F12\n1.0\n5.317889 -0.042446 1.206377\n0.752854 7.301129 0.221783\n-0.103560 0.090711 7.270997\nSb P O F\n2 2 4 12\ndirect\n0.580909 0.238869 0.749545 Sb\n0.419091 0.761130 0.250455 Sb\n0.226600 0.194427 0.168394 P\n0.773400 0.805572 0.831607 P\n0.559011 0.726457 0.968191 O\n0.784458 0.010448 0.828889 O\n0.440988 0.273542 0.031810 O\n0.215541 0.989552 0.171111 O\n0.684452 0.914145 0.244072 F\n0.315548 0.085855 0.755928 F\n0.150710 0.628195 0.219343 F\n0.849290 0.371804 0.780658 F\n0.616810 0.547490 0.304575 F\n0.236038 0.259944 0.364100 F\n0.726679 0.183295 0.495885 F\n0.026073 0.719179 0.868774 F\n0.763961 0.740056 0.635901 F\n0.383189 0.452510 0.695425 F\n0.273321 0.816705 0.504115 F\n0.973926 0.280820 0.131226 F\n",
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"elements": [
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],
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"formula_full": "Sb2 P2 O4 F12",
"formula_reduced": "SbP(OF3)2",
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},
{
"id": "jvasp-10554",
"created_at": "2022-09-04T14:37:01.301860Z",
"updated_at": "2022-09-04T14:37:01.301880Z",
"structure_string": "Sb2 P2 O10\n1.0\n5.096677 -0.013373 -1.493411\n-1.374557 4.907839 -1.493411\n0.002852 0.003750 7.104310\nSb P O\n2 2 10\ndirect\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.332933 0.667067 0.250000 P\n0.667067 0.332933 0.750000 P\n0.260580 0.375475 0.093354 O\n0.624525 0.739420 0.406646 O\n0.739420 0.624526 0.906646 O\n0.375475 0.260580 0.593354 O\n0.095877 0.904123 0.750000 O\n0.904123 0.095878 0.250000 O\n0.128514 0.681433 0.368895 O\n0.318567 0.871486 0.131105 O\n0.871486 0.318568 0.631105 O\n0.681433 0.128515 0.868895 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "O-P-Sb",
"density": 4.351239188525558,
"density_atomic": 0.07881485997089283,
"volume": 177.63147717537467,
"volume_molar": 7.640869706834525,
"formula_full": "Sb2 P2 O10",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-52516",
"created_at": "2022-09-04T14:38:17.314668Z",
"updated_at": "2022-09-04T14:38:17.314685Z",
"structure_string": "Sb2 O4 F2\n1.0\n1.940611 -4.645563 -0.105064\n3.418359 4.328211 -0.290687\n-0.126070 -2.721856 4.234841\nSb O F\n2 4 2\ndirect\n0.689308 0.150146 0.752785 Sb\n0.252785 0.650146 0.189308 Sb\n0.102210 0.413153 0.818367 O\n0.459049 0.399608 0.126438 O\n0.318368 0.913153 0.602209 O\n0.626438 0.899608 0.959049 O\n0.836312 0.400740 0.457962 F\n0.957961 0.900740 0.336313 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-O-Sb",
"density": 5.6229914234055105,
"density_atomic": 0.07840470956576097,
"volume": 102.0346870016794,
"volume_molar": 7.680840594083197,
"formula_full": "Sb2 O4 F2",
"formula_reduced": "SbO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.163520845625,
"spacegroup": 9
},
{
"id": "jvasp-22697",
"created_at": "2022-09-04T14:37:51.170794Z",
"updated_at": "2022-09-04T14:37:51.170823Z",
"structure_string": "Sb2 O4 F2\n1.0\n5.172914 -0.156860 0.158480\n-2.472630 1.427574 4.477949\n2.722301 -4.401444 0.158480\nSb O F\n2 4 2\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.243197 0.746445 0.895883 O\n0.604116 0.753555 0.256803 O\n0.395883 0.246445 0.743197 O\n0.756802 0.253555 0.104117 O\n0.102867 0.250000 0.397133 F\n0.897132 0.750000 0.602867 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.610558357780801,
"density_atomic": 0.07823134794631055,
"volume": 102.26079711026232,
"volume_molar": 7.697861430347511,
"formula_full": "Sb2 O4 F2",
"formula_reduced": "SbO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1663333456249998,
"spacegroup": 15
},
{
"id": "jvasp-8394",
"created_at": "2022-09-04T14:37:06.661078Z",
"updated_at": "2022-09-04T14:37:06.661105Z",
"structure_string": "Sb2 O4\n1.0\n-3.436514 -0.036515 0.043582\n1.694670 2.935120 0.571064\n-0.089337 -2.228011 -8.955804\nSb O\n2 4\ndirect\n0.002041 0.002012 0.497945 Sb\n0.002456 0.001914 -0.002094 Sb\n0.409330 0.816545 0.608936 O\n0.259964 0.517059 0.884226 O\n0.594757 0.187471 0.386948 O\n0.744776 0.486761 0.111582 O\n",
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],
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"density": 5.9895783512240985,
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"volume": 85.25558203320121,
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"formula_full": "Sb2 O4",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-16913",
"created_at": "2022-09-04T14:36:54.846505Z",
"updated_at": "2022-09-04T14:36:54.846517Z",
"structure_string": "Sb2 O4\n1.0\n1.818829 -3.150303 0.000000\n1.818829 3.150303 -0.000000\n-0.000000 0.000000 10.667351\nSb O\n2 4\ndirect\n0.333334 0.666667 0.750000 Sb\n0.666667 0.333334 0.250000 Sb\n0.666667 0.333334 0.425318 O\n0.333334 0.666667 0.925318 O\n0.666667 0.333334 0.074682 O\n0.333334 0.666667 0.574682 O\n",
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"density": 4.177229112402611,
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"volume": 122.24490798240299,
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"formula_full": "Sb2 O4",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-120162",
"created_at": "2022-09-04T14:38:44.750204Z",
"updated_at": "2022-09-04T14:38:44.750231Z",
"structure_string": "Sb2 O2 F2\n1.0\n3.901230 0.000000 0.000000\n0.000000 3.901230 -0.000000\n0.000000 0.000000 5.675357\nSb O F\n2 2 2\ndirect\n0.500000 0.000000 0.285784 Sb\n0.000000 0.500000 0.714217 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.027149526588664,
"density_atomic": 0.06946322690600361,
"volume": 86.37663793130561,
"volume_molar": 8.669537866631295,
"formula_full": "Sb2 O2 F2",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-38028",
"created_at": "2022-09-04T14:38:12.376505Z",
"updated_at": "2022-09-04T14:38:12.376521Z",
"structure_string": "Sb2 O2 F2\n1.0\n3.902036 0.000000 0.000000\n0.000000 3.902383 0.000000\n0.000000 0.000000 5.678840\nSb O F\n2 2 2\ndirect\n0.500000 0.000000 0.285990 Sb\n0.000000 0.500000 0.714010 Sb\n0.000000 0.000000 0.500107 O\n0.500000 0.500000 0.499893 O\n0.000000 0.000000 0.000200 F\n0.500000 0.500000 0.999800 F\n",
"nsites": 6,
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"formula_full": "Sb2 O2 F2",
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"spacegroup": 129
},
{
"id": "jvasp-8329",
"created_at": "2022-09-04T14:37:17.637832Z",
"updated_at": "2022-09-04T14:37:17.637852Z",
"structure_string": "Sb2 N2\n1.0\n3.285695 0.011671 -0.420773\n-0.008451 4.003879 0.046688\n-0.896975 -0.069555 5.804585\nSb N\n2 2\ndirect\n0.734697 0.785093 0.966598 Sb\n0.020677 0.285096 0.530744 Sb\n0.562346 0.978118 0.615670 N\n0.192991 0.478107 0.881687 N\n",
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"volume": 74.86171517277596,
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"formula_full": "Sb2 N2",
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"energy_above_hull": 2.4167446750000003,
"spacegroup": 36
},
{
"id": "jvasp-30632",
"created_at": "2022-09-04T14:37:19.673140Z",
"updated_at": "2022-09-04T14:37:19.673158Z",
"structure_string": "Sb2 N2\n1.0\n3.279299 0.020000 -0.468095\n-0.033001 4.003505 -0.059568\n-0.831380 0.080066 5.818482\nSb N\n2 2\ndirect\n0.264084 0.785108 0.033376 Sb\n0.980569 0.285079 0.469272 Sb\n0.438414 0.978108 0.384364 N\n0.806230 0.478126 0.118286 N\n",
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"spacegroup": 36
},
{
"id": "jvasp-32348",
"created_at": "2022-09-04T14:36:54.699004Z",
"updated_at": "2022-09-04T14:36:54.699023Z",
"structure_string": "Sb2 N18\n1.0\n6.357418 0.042358 4.397266\n2.327594 5.916152 4.397266\n0.061741 0.042359 7.729741\nSb N\n2 18\ndirect\n0.693181 0.693181 0.693182 Sb\n0.306818 0.306819 0.306819 Sb\n0.165955 0.855354 0.346288 N\n0.144645 0.653712 0.834045 N\n0.653712 0.834045 0.144647 N\n0.834045 0.144646 0.653713 N\n0.742671 0.242661 0.263457 N\n0.242661 0.263457 0.742671 N\n0.263457 0.742671 0.242662 N\n0.257329 0.757339 0.736544 N\n0.757338 0.736543 0.257330 N\n0.736543 0.257329 0.757339 N\n0.624084 0.130815 0.367656 N\n0.130815 0.367656 0.624084 N\n0.367656 0.624084 0.130816 N\n0.375915 0.869185 0.632345 N\n0.869185 0.632344 0.375917 N\n0.632344 0.375916 0.869185 N\n0.346287 0.165955 0.855354 N\n0.855354 0.346288 0.165956 N\n",
"nsites": 20,
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"formula_full": "Sb2 N18",
"formula_reduced": "SbN9",
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"spacegroup": 148
},
{
"id": "jvasp-97980",
"created_at": "2022-09-04T14:36:16.760758Z",
"updated_at": "2022-09-04T14:36:16.760784Z",
"structure_string": "Sb2 Mo4 S4\n1.0\n3.219211 0.000000 0.000000\n0.000000 6.308482 -1.758556\n0.000000 0.002335 9.498516\nSb Mo S\n2 4 4\ndirect\n0.750000 0.003309 0.662718 Sb\n0.250000 0.996690 0.337281 Sb\n0.750000 0.105064 0.113363 Mo\n0.750000 0.339032 0.520309 Mo\n0.250000 0.894935 0.886637 Mo\n0.250000 0.660967 0.479690 Mo\n0.250000 0.266441 0.992087 S\n0.250000 0.525125 0.690838 S\n0.750000 0.733557 0.007913 S\n0.750000 0.474874 0.309162 S\n",
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],
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"volume": 192.91226039973495,
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"formula_full": "Sb2 Mo4 S4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 11
}
]
}