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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1248",
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"results": [
{
"id": "jvasp-54780",
"created_at": "2022-09-04T14:37:04.711996Z",
"updated_at": "2022-09-04T14:37:04.712012Z",
"structure_string": "Sb4 H4 O12\n1.0\n5.373006 5.362724 0.000000\n0.000000 5.362724 5.007192\n5.373006 0.000000 5.007192\nSb H O\n4 4 12\ndirect\n0.997968 0.496866 0.002440 Sb\n0.997275 0.997559 0.503134 Sb\n0.496867 0.997967 0.002726 Sb\n0.997561 0.997273 0.002033 Sb\n0.588216 0.052082 0.264499 H\n0.052083 0.588215 0.595205 H\n0.404796 0.735501 0.947918 H\n0.735502 0.404794 0.411785 H\n0.308745 0.308743 0.941256 O\n0.930911 0.930910 0.319090 O\n0.897364 0.337506 0.341910 O\n0.337508 0.897362 0.923221 O\n0.681711 0.070252 0.690165 O\n0.076780 0.658090 0.662493 O\n0.680911 0.680910 0.069090 O\n0.058745 0.058744 0.691256 O\n0.942128 0.309834 0.929748 O\n0.658091 0.076779 0.102637 O\n0.070253 0.681710 0.057873 O\n0.309836 0.942127 0.318290 O\n",
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},
{
"id": "jvasp-118479",
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"updated_at": "2022-09-04T14:38:52.577843Z",
"structure_string": "Sb1 H1 O2\n1.0\n3.607124 0.000000 0.000000\n0.000000 3.607124 0.000000\n0.000000 -0.000000 4.165710\nSb H O\n1 1 2\ndirect\n0.500000 0.500000 0.533247 Sb\n0.000000 0.000000 0.831307 H\n0.000000 0.000000 0.593103 O\n0.500000 0.500000 0.052343 O\n",
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"formula_full": "Sb1 H1 O2",
"formula_reduced": "SbHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118481",
"created_at": "2022-09-04T14:38:33.985247Z",
"updated_at": "2022-09-04T14:38:33.985268Z",
"structure_string": "Sb2 H2 O2\n1.0\n1.903043 1.098722 6.558234\n-1.903043 1.098722 6.558234\n-0.000000 -2.197445 6.558234\nSb H O\n2 2 2\ndirect\n0.240575 0.240575 0.240575 Sb\n0.759425 0.759425 0.759425 Sb\n0.612140 0.612140 0.612140 H\n0.387860 0.387860 0.387860 H\n0.869444 0.869444 0.869444 O\n0.130556 0.130556 0.130556 O\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.07292501679470191,
"volume": 82.27629233039693,
"volume_molar": 8.257990227075977,
"formula_full": "Sb2 H2 O2",
"formula_reduced": "SbHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8173365333333336,
"spacegroup": 166
},
{
"id": "jvasp-118477",
"created_at": "2022-09-04T14:38:33.889535Z",
"updated_at": "2022-09-04T14:38:33.889561Z",
"structure_string": "Sb1 H1 O1\n1.0\n3.821355 -0.000000 -0.000000\n-1.910678 3.309391 -0.000000\n-0.000000 0.000000 2.961689\nSb H O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.152214118769154,
"density_atomic": 0.08009701581443598,
"volume": 37.45457891902268,
"volume_molar": 7.518558211896107,
"formula_full": "Sb1 H1 O1",
"formula_reduced": "SbHO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-118480",
"created_at": "2022-09-04T14:38:50.710765Z",
"updated_at": "2022-09-04T14:38:50.710792Z",
"structure_string": "Sb2 H2 O2\n1.0\n3.836806 0.000000 -0.000000\n-0.000000 3.836806 0.000000\n0.000000 -0.000000 5.424754\nSb H O\n2 2 2\ndirect\n0.500001 0.000000 0.270026 Sb\n0.000000 0.500001 0.729973 Sb\n0.000000 0.000000 0.000000 H\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.500000 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.770940900113373,
"density_atomic": 0.0751331367239594,
"volume": 79.85823914212602,
"volume_molar": 8.015292615993744,
"formula_full": "Sb2 H2 O2",
"formula_reduced": "SbHO",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-118054",
"created_at": "2022-09-04T14:38:52.188285Z",
"updated_at": "2022-09-04T14:38:52.188306Z",
"structure_string": "Sb1 H1 Cl2\n1.0\n4.160736 -0.000000 -0.000000\n-0.000000 4.160736 -0.000000\n0.000000 -0.000000 5.614333\nSb H Cl\n1 1 2\ndirect\n0.500001 0.500001 0.522212 Sb\n0.000000 0.000000 0.022913 H\n0.000000 0.000000 0.513489 Cl\n0.500001 0.500001 -0.048615 Cl\n",
"nsites": 4,
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"elements": [
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"H",
"Cl"
],
"chemical_system": "Cl-H-Sb",
"density": 3.3088859323531072,
"density_atomic": 0.04115489538819822,
"volume": 97.19378368647389,
"volume_molar": 14.632866158923438,
"formula_full": "Sb1 H1 Cl2",
"formula_reduced": "SbHCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118052",
"created_at": "2022-09-04T14:38:54.121457Z",
"updated_at": "2022-09-04T14:38:54.121476Z",
"structure_string": "Sb1 H1 Cl1\n1.0\n4.706028 -0.000000 -0.000000\n-2.353014 4.075539 0.000000\n0.000000 0.000000 3.184010\nSb H Cl\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sb\n0.333335 0.666666 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
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"H",
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],
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"density_atomic": 0.049125532555064244,
"volume": 61.068040262715414,
"volume_molar": 12.258677813313986,
"formula_full": "Sb1 H1 Cl1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-33781",
"created_at": "2022-09-04T14:36:53.490297Z",
"updated_at": "2022-09-04T14:36:53.490315Z",
"structure_string": "Sb2 H8 N2 Cl12\n1.0\n0.000000 6.239849 -0.000000\n-6.014454 3.119925 -0.119419\n-2.197555 -0.000000 11.723951\nSb H N Cl\n2 8 2 12\ndirect\n0.000000 0.500000 0.500000 Sb\n0.500001 0.500000 -0.000000 Sb\n0.029156 0.947261 0.820019 H\n0.877260 0.867166 0.733777 H\n0.023583 0.947260 0.320020 H\n0.255575 0.867166 0.233777 H\n0.744426 0.132834 0.766223 H\n0.976418 0.052740 0.679980 H\n0.122741 0.132834 0.266223 H\n-0.029156 0.052740 0.179979 H\n0.093709 0.000000 0.250000 N\n0.906291 0.000001 0.750000 N\n0.313194 0.155314 0.610113 Cl\n0.468508 0.844687 0.889887 Cl\n0.686807 0.844687 0.389887 Cl\n0.216143 0.705842 0.533468 Cl\n0.791025 0.593931 0.671405 Cl\n0.384955 0.406070 0.828595 Cl\n0.078016 0.705841 0.033468 Cl\n0.921984 0.294159 0.966532 Cl\n0.615045 0.593930 0.171405 Cl\n0.208975 0.406070 0.328595 Cl\n0.783858 0.294158 0.466532 Cl\n0.531493 0.155313 0.110113 Cl\n",
"nsites": 24,
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"elements": [
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"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Sb",
"density": 2.6509460622414696,
"density_atomic": 0.05434425503819978,
"volume": 441.6290182491207,
"volume_molar": 11.081467131653389,
"formula_full": "Sb2 H8 N2 Cl12",
"formula_reduced": "SbH4NCl6",
"formula_anonymous": "ABC4D6",
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"spacegroup": 15
},
{
"id": "jvasp-33069",
"created_at": "2022-09-04T14:37:00.856163Z",
"updated_at": "2022-09-04T14:37:00.856185Z",
"structure_string": "Sb4 H12 O4 F24\n1.0\n-5.045475 5.045475 5.045475\n5.045475 -5.045475 5.045475\n5.045475 5.045475 -5.045475\nSb H O F\n4 12 4 24\ndirect\n0.500000 0.000000 0.003780 Sb\n0.000000 0.003780 0.500000 Sb\n0.003780 0.500000 0.000000 Sb\n0.496220 0.496220 0.496220 Sb\n0.001699 0.973160 0.872234 H\n0.973160 0.872234 0.001699 H\n0.627765 0.600926 0.129464 H\n0.498300 0.370535 0.971462 H\n0.526838 0.528537 0.899073 H\n0.872234 0.001699 0.973160 H\n0.899073 0.526838 0.528537 H\n0.129464 0.627765 0.600926 H\n0.528537 0.899073 0.526838 H\n0.600926 0.129464 0.627765 H\n0.370535 0.971462 0.498300 H\n0.971462 0.498300 0.370535 H\n0.500000 0.000000 0.521430 O\n0.000000 0.521430 0.500000 O\n0.521430 0.500000 0.000000 O\n0.978569 0.978569 0.978569 O\n0.459675 0.161914 0.906198 F\n0.702238 0.040324 0.946522 F\n0.161914 0.906198 0.459675 F\n0.040324 0.946522 0.702238 F\n0.553476 0.593801 0.755715 F\n0.946522 0.702238 0.040324 F\n0.744284 0.338086 0.797761 F\n0.906198 0.459675 0.161914 F\n0.338086 0.797761 0.744284 F\n0.797761 0.744284 0.338086 F\n0.417574 0.250979 0.461893 F\n0.544319 0.833404 0.082426 F\n0.461893 0.417574 0.250979 F\n0.082426 0.544319 0.833404 F\n0.249021 0.666594 0.210912 F\n0.038106 0.289087 0.955679 F\n0.210912 0.249021 0.666594 F\n0.955679 0.038106 0.289087 F\n0.833404 0.082426 0.544319 F\n0.289087 0.955679 0.038106 F\n0.755715 0.553476 0.593801 F\n0.666594 0.210912 0.249021 F\n0.250979 0.461893 0.417574 F\n0.593801 0.755715 0.553476 F\n",
"nsites": 44,
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"elements": [
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"density_atomic": 0.08564194251360233,
"volume": 513.766954702266,
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"formula_full": "Sb4 H12 O4 F24",
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"spacegroup": 199
},
{
"id": "jvasp-95598",
"created_at": "2022-09-04T14:36:21.018998Z",
"updated_at": "2022-09-04T14:36:21.019025Z",
"structure_string": "Sb2 H6 C4 O8 F12\n1.0\n4.758001 4.481604 -4.263357\n-4.758001 4.481604 4.263357\n-0.034685 0.000000 8.502744\nSb H C O F\n2 6 4 8 12\ndirect\n0.142240 0.140330 0.503334 Sb\n0.859669 0.857760 0.003334 Sb\n0.430950 0.065554 0.971394 H\n0.934445 0.569050 0.471394 H\n0.620080 0.102821 0.478072 H\n0.897178 0.379919 0.978072 H\n0.383773 0.597888 0.313199 H\n0.402111 0.616226 0.813199 H\n0.522546 0.070753 0.232092 C\n0.929247 0.477453 0.732092 C\n0.488662 0.838043 0.357571 C\n0.161957 0.511337 0.857571 C\n0.236140 0.468327 0.042318 O\n0.531672 0.763859 0.542318 O\n0.250974 0.587184 0.736315 O\n0.412814 0.749025 0.236315 O\n0.818318 0.407457 0.824248 O\n0.592542 0.181682 0.324248 O\n0.840385 0.515725 0.538592 O\n0.484274 0.159615 0.038592 O\n0.043821 0.236784 0.601517 F\n0.763215 0.956179 0.101517 F\n0.244618 0.038941 0.413728 F\n0.961058 0.755381 0.913728 F\n0.332099 0.980829 0.797689 F\n0.019170 0.667900 0.297690 F\n0.946764 0.306044 0.215360 F\n0.693956 0.053235 0.715360 F\n0.938545 0.916547 0.518199 F\n0.083452 0.061454 0.018199 F\n0.349023 0.363298 0.489973 F\n0.636702 0.650976 0.989973 F\n",
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"formula_full": "Sb2 H6 C4 O8 F12",
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},
{
"id": "jvasp-30689",
"created_at": "2022-09-04T14:38:34.099282Z",
"updated_at": "2022-09-04T14:38:34.099299Z",
"structure_string": "Sb2 F10\n1.0\n3.643082 -0.000000 0.000000\n-1.821540 5.412439 -0.000000\n-0.000000 0.000000 8.441252\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465788 0.931576 0.250000 F\n0.534212 0.068424 0.750000 F\n0.080169 0.160336 0.584119 F\n0.919831 0.839664 0.415881 F\n0.339385 0.678770 0.913503 F\n0.660615 0.321231 0.086497 F\n0.660615 0.321231 0.413503 F\n0.339385 0.678770 0.586496 F\n0.080169 0.160336 0.915880 F\n0.919831 0.839664 0.084119 F\n",
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"density": 4.324873525049133,
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"volume": 166.44426166345258,
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"formula_full": "Sb2 F10",
"formula_reduced": "SbF5",
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"spacegroup": 63
},
{
"id": "jvasp-8302",
"created_at": "2022-09-04T14:37:05.693677Z",
"updated_at": "2022-09-04T14:37:05.693701Z",
"structure_string": "Sb1 F5\n1.0\n3.484420 0.000000 1.281363\n1.064242 4.601055 2.484285\n0.059412 1.120824 5.216724\nSb F\n1 5\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.764780 0.235219 F\n0.500000 0.235219 0.764780 F\n0.789405 0.210595 0.210594 F\n0.210594 0.789404 0.789405 F\n-0.000000 0.499999 0.500000 F\n",
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"spacegroup": 71
}
]
}