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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3404",
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"results": [
{
"id": "jvasp-10264",
"created_at": "2022-09-04T14:38:33.285090Z",
"updated_at": "2022-09-04T14:38:33.285118Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.119374 0.000000 -0.000000\n0.000000 6.119374 0.000000\n-0.000000 -0.000000 6.119374\nSb Ir S\n4 4 4\ndirect\n0.376699 0.376699 0.376699 Sb\n0.123301 0.623301 0.876698 Sb\n0.876698 0.123301 0.623301 Sb\n0.623301 0.876698 0.123301 Sb\n0.987465 0.512533 0.487466 Ir\n0.512533 0.487466 0.987465 Ir\n0.487466 0.987465 0.512533 Ir\n0.012534 0.012534 0.012534 Ir\n0.383312 0.116688 0.883312 S\n0.116688 0.883312 0.383312 S\n0.883312 0.383312 0.116688 S\n0.616687 0.616687 0.616687 S\n",
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],
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"density": 10.030369026091162,
"density_atomic": 0.05236730874062065,
"volume": 229.15059583139802,
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"formula_full": "Sb4 Ir4 S4",
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"spacegroup": 198
},
{
"id": "jvasp-87331",
"created_at": "2022-09-04T14:35:54.864760Z",
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"structure_string": "Sb4 Ir4 S4\n1.0\n6.126271 0.000000 0.000000\n0.000000 6.109322 0.000000\n0.000000 0.000000 6.128390\nSb Ir S\n4 4 4\ndirect\n0.379572 0.634027 0.382003 Sb\n0.620427 0.365972 0.882003 Sb\n0.120428 0.634027 0.882003 Sb\n0.879572 0.365972 0.382003 Sb\n0.510151 0.766095 0.999456 Ir\n0.489849 0.233905 0.499456 Ir\n0.989849 0.766095 0.499456 Ir\n0.010151 0.233905 0.999456 Ir\n0.118351 0.126283 0.620742 S\n0.881649 0.873717 0.120742 S\n0.381649 0.126283 0.120742 S\n0.618351 0.873717 0.620742 S\n",
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],
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"density": 10.020797521436938,
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"volume": 229.3694722222068,
"volume_molar": 11.510793731408663,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2374524,
"spacegroup": 29
},
{
"id": "jvasp-102243",
"created_at": "2022-09-04T14:36:43.160002Z",
"updated_at": "2022-09-04T14:36:43.160013Z",
"structure_string": "Sb4 N4\n1.0\n5.406454 0.000000 0.000000\n0.000000 5.736278 0.000000\n0.000000 0.000000 5.085867\nSb N\n4 4\ndirect\n0.533779 0.790125 0.169674 Sb\n0.466220 0.209875 0.669674 Sb\n0.966220 0.790125 0.669674 Sb\n0.033780 0.209875 0.169674 Sb\n0.603742 0.878357 0.563447 N\n0.396257 0.121644 0.063446 N\n0.896257 0.878357 0.063446 N\n0.103743 0.121644 0.563447 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 5.717348286971377,
"density_atomic": 0.05072035509441566,
"volume": 157.72760236216888,
"volume_molar": 11.873222789528619,
"formula_full": "Sb4 N4",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.398239675,
"spacegroup": 29
},
{
"id": "jvasp-9099",
"created_at": "2022-09-04T14:37:27.463411Z",
"updated_at": "2022-09-04T14:37:27.463433Z",
"structure_string": "Sb4 O10\n1.0\n4.546345 -0.000000 -1.719306\n-0.464529 5.342729 -1.228350\n-0.002452 0.013881 6.864097\nSb O\n4 10\ndirect\n0.621778 0.220625 0.724725 Sb\n0.897052 0.279375 0.275274 Sb\n0.378221 0.779375 0.275275 Sb\n0.102947 0.720625 0.724725 Sb\n0.575570 0.250000 -0.000001 O\n0.424429 0.750000 -0.000000 O\n0.189571 0.445889 0.202038 O\n0.987532 0.054111 0.797961 O\n0.782814 0.623871 0.405269 O\n0.377546 0.876129 0.594730 O\n0.217185 0.376129 0.594730 O\n0.622454 0.123871 0.405270 O\n0.012467 0.945889 0.202038 O\n0.810428 0.554111 0.797961 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 6.4416208347966455,
"density_atomic": 0.08393575355288883,
"volume": 166.7942373470019,
"volume_molar": 7.174702680432104,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.294335671428572,
"spacegroup": 15
},
{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.419007809916521,
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"volume": 198.26973352064897,
"volume_molar": 8.528630312207417,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3073113857142857,
"spacegroup": 63
},
{
"id": "jvasp-30212",
"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.084066352907251,
"density_atomic": 0.06314310739396936,
"volume": 316.7408261239635,
"volume_molar": 9.537289196785967,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3676700894999998,
"spacegroup": 2
},
{
"id": "jvasp-50678",
"created_at": "2022-09-04T14:36:52.631792Z",
"updated_at": "2022-09-04T14:36:52.631812Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
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"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
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},
{
"id": "jvasp-30207",
"created_at": "2022-09-04T14:37:06.109521Z",
"updated_at": "2022-09-04T14:37:06.109546Z",
"structure_string": "Sb4 O4 F4\n1.0\n12.641592 0.000000 0.000000\n0.000000 3.568860 0.000000\n0.000000 -0.000000 3.985754\nSb O F\n4 4 4\ndirect\n0.150726 0.250000 0.202145 Sb\n0.349274 0.750000 0.702145 Sb\n0.650726 0.250000 0.297854 Sb\n0.849274 0.750000 0.797854 Sb\n0.251608 0.750000 0.291812 O\n0.248392 0.250000 0.791811 O\n0.751608 0.750000 0.208188 O\n0.748392 0.250000 0.708187 O\n0.085744 0.750000 0.881246 F\n0.414256 0.250000 0.381246 F\n0.585743 0.750000 0.618752 F\n0.914256 0.250000 0.118753 F\n",
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"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
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"spacegroup": 62
},
{
"id": "jvasp-52370",
"created_at": "2022-09-04T14:35:47.442441Z",
"updated_at": "2022-09-04T14:35:47.442459Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.080993 -0.000000 0.000000\n-0.000000 6.137884 0.000000\n0.000000 0.000000 8.249157\nSb O F\n4 4 4\ndirect\n0.749999 0.212664 0.038433 Sb\n0.250000 0.287335 0.538433 Sb\n0.749999 0.712664 0.461567 Sb\n0.250000 0.787335 0.961568 Sb\n0.749999 -0.091662 0.941392 O\n0.250000 0.591661 0.441392 O\n0.749999 0.408338 0.558608 O\n0.250000 0.091662 0.058608 O\n0.749999 0.130711 0.273770 F\n0.250000 0.369289 0.773770 F\n0.749999 0.630711 0.226230 F\n0.250000 0.869288 0.726230 F\n",
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"density": 5.038997720481692,
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"volume": 206.6303424984375,
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"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
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"spacegroup": 62
},
{
"id": "jvasp-10147",
"created_at": "2022-09-04T14:37:15.461932Z",
"updated_at": "2022-09-04T14:37:15.461962Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.137908 -0.000000 0.000000\n-0.000000 5.519130 0.000000\n0.000000 0.000000 8.727643\nSb O F\n4 4 4\ndirect\n0.250000 0.281409 0.570373 Sb\n0.750000 0.718591 0.429627 Sb\n0.750000 0.781409 0.929627 Sb\n0.250000 0.218591 0.070373 Sb\n0.250000 0.592816 0.445655 O\n0.250000 0.907184 0.945655 O\n0.750000 0.092816 0.054345 O\n0.750000 0.407184 0.554345 O\n0.750000 0.945714 0.723190 F\n0.750000 0.554286 0.223191 F\n0.250000 0.445714 0.776809 F\n0.250000 0.054286 0.276809 F\n",
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"formula_full": "Sb4 O4 F4",
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},
{
"id": "jvasp-52341",
"created_at": "2022-09-04T14:35:44.858593Z",
"updated_at": "2022-09-04T14:35:44.858638Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.235745 0.000000 0.000000\n0.000000 6.101279 0.000000\n0.000000 0.000000 7.689710\nSb O F\n4 4 4\ndirect\n0.378432 0.193259 0.089336 Sb\n0.878431 0.306741 0.589336 Sb\n0.378432 0.693259 0.410664 Sb\n0.878431 0.806741 0.910664 Sb\n0.731997 0.122427 0.924765 O\n0.231998 0.377574 0.424765 O\n0.731997 0.622427 0.575235 O\n0.231998 0.877574 0.075235 O\n0.175859 0.919185 0.721122 F\n0.675858 0.580815 0.221122 F\n0.175859 0.419185 0.778878 F\n0.675858 0.080815 0.278878 F\n",
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"density": 5.23935232549964,
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"formula_full": "Sb4 O4 F4",
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"spacegroup": 33
},
{
"id": "jvasp-30173",
"created_at": "2022-09-04T14:37:14.279860Z",
"updated_at": "2022-09-04T14:37:14.279884Z",
"structure_string": "Sb4 O4 F4\n1.0\n5.500918 0.000000 0.751333\n0.000000 6.438356 0.000000\n-0.191251 0.000000 5.289340\nSb O F\n4 4 4\ndirect\n0.266897 0.529827 0.702161 Sb\n0.266897 0.970174 0.202161 Sb\n0.733104 0.029826 0.797838 Sb\n0.733104 0.470174 0.297838 Sb\n0.419548 0.852757 0.862636 O\n0.419548 0.647244 0.362636 O\n0.580452 0.352756 0.637363 O\n0.580452 0.147244 0.137363 O\n0.100213 0.186160 0.965978 F\n0.100213 0.313840 0.465978 F\n0.899788 0.686160 0.534022 F\n0.899788 0.813840 0.034022 F\n",
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"volume": 188.25700665645732,
"volume_molar": 9.447584942845358,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5178066275000002,
"spacegroup": 14
}
]
}