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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3858",
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"results": [
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
"nsites": 12,
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"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 14
},
{
"id": "jvasp-15889",
"created_at": "2022-09-04T14:37:55.516674Z",
"updated_at": "2022-09-04T14:37:55.516702Z",
"structure_string": "Sb2 Ir2\n1.0\n2.035282 -3.525212 0.000000\n2.035282 3.525212 0.000000\n0.000000 -0.000000 5.621321\nSb Ir\n2 2\ndirect\n0.666666 0.333333 0.250000 Sb\n0.333333 0.666666 0.750000 Sb\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 12.927028774059252,
"density_atomic": 0.04958859210251565,
"volume": 80.66371377777185,
"volume_molar": 12.144205964852334,
"formula_full": "Sb2 Ir2",
"formula_reduced": "SbIr",
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"spacegroup": 194
},
{
"id": "jvasp-9081",
"created_at": "2022-09-04T14:38:11.313919Z",
"updated_at": "2022-09-04T14:38:11.313956Z",
"structure_string": "Sb12 Ir4\n1.0\n7.683611 0.000000 -2.716567\n-3.841805 6.654203 -2.716567\n-0.000000 -0.000000 8.149700\nSb Ir\n12 4\ndirect\n0.507013 0.846400 0.660613 Sb\n0.185787 0.846400 0.339386 Sb\n0.814212 0.153599 0.660613 Sb\n0.153599 0.339386 0.492986 Sb\n0.492986 0.153599 0.339386 Sb\n0.153599 0.660613 0.814211 Sb\n0.339386 0.185788 0.846400 Sb\n0.846400 0.660613 0.507013 Sb\n0.660613 0.814212 0.153599 Sb\n0.846400 0.339386 0.185787 Sb\n0.660613 0.507014 0.846400 Sb\n0.339386 0.492986 0.153599 Sb\n0.500000 -0.000000 -0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n-0.000000 0.500000 -0.000000 Ir\n0.499999 0.500000 0.499999 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 8.886865063302132,
"density_atomic": 0.03839873746034608,
"volume": 416.6803665491088,
"volume_molar": 15.683173870544556,
"formula_full": "Sb12 Ir4",
"formula_reduced": "Sb3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.28567985,
"spacegroup": 204
},
{
"id": "jvasp-86824",
"created_at": "2022-09-04T14:35:56.008261Z",
"updated_at": "2022-09-04T14:35:56.008285Z",
"structure_string": "Sb4 I12\n1.0\n7.341914 0.093416 0.000000\n-2.962922 8.099434 0.000000\n0.000000 0.000000 10.980844\nSb I\n4 12\ndirect\n0.040517 0.667078 0.673872 Sb\n0.040517 0.167078 0.826127 Sb\n0.959482 0.832922 0.173872 Sb\n0.959482 0.332922 0.326128 Sb\n0.225915 0.699239 0.442130 I\n0.340172 0.458665 0.742091 I\n0.340172 0.958665 0.757908 I\n0.777706 0.325269 0.907148 I\n0.222294 0.674731 0.092852 I\n0.777706 0.825268 0.592852 I\n0.774085 0.300761 0.557869 I\n0.225914 0.199239 0.057869 I\n0.774085 0.800761 0.942130 I\n0.222294 0.174732 0.407148 I\n0.659827 0.041335 0.242092 I\n0.659827 0.541335 0.257908 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.0875153562379305,
"density_atomic": 0.02438953623795863,
"volume": 656.0190338961188,
"volume_molar": 24.69149352101024,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08476123125,
"spacegroup": 14
},
{
"id": "jvasp-176",
"created_at": "2022-09-04T14:37:28.293070Z",
"updated_at": "2022-09-04T14:37:28.293091Z",
"structure_string": "Sb2 I6\n1.0\n6.654466 0.023797 4.682924\n2.443504 6.189649 4.682926\n0.034843 0.023793 8.136982\nSb I\n2 6\ndirect\n0.167477 0.167477 0.167477 Sb\n0.832522 0.832523 0.832523 Sb\n0.416229 0.077210 0.747444 I\n0.747444 0.416229 0.077209 I\n0.077209 0.747444 0.416229 I\n0.583771 0.922791 0.252556 I\n0.252555 0.583771 0.922791 I\n0.922790 0.252556 0.583771 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.00820064850543,
"density_atomic": 0.024009301722091654,
"volume": 333.20419279995,
"volume_molar": 25.082531885793472,
"formula_full": "Sb2 I6",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07526123125,
"spacegroup": 148
},
{
"id": "jvasp-86222",
"created_at": "2022-09-04T14:36:02.102396Z",
"updated_at": "2022-09-04T14:36:02.102413Z",
"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.086247289993947,
"density_atomic": 0.024383457131470655,
"volume": 656.1825877984096,
"volume_molar": 24.69764942489426,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08480623125,
"spacegroup": 14
},
{
"id": "jvasp-9913",
"created_at": "2022-09-04T14:38:30.088252Z",
"updated_at": "2022-09-04T14:38:30.088269Z",
"structure_string": "Sb2 F10\n1.0\n3.643200 -0.000000 0.000000\n-1.821599 5.412409 -0.000000\n0.000000 -0.000000 8.440956\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465852 0.931704 0.250000 F\n0.534148 0.068296 0.750000 F\n0.080153 0.160305 0.584157 F\n0.919847 0.839696 0.415844 F\n0.339369 0.678738 0.913544 F\n0.660631 0.321262 0.086457 F\n0.660631 0.321262 0.413544 F\n0.339369 0.678738 0.586457 F\n0.080153 0.160305 0.915844 F\n0.919847 0.839696 0.084156 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 4.324909074241988,
"density_atomic": 0.07209679995305016,
"volume": 166.44289355164818,
"volume_molar": 8.352854445581015,
"formula_full": "Sb2 F10",
"formula_reduced": "SbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0423734274999999,
"spacegroup": 63
},
{
"id": "jvasp-30604",
"created_at": "2022-09-04T14:37:30.726799Z",
"updated_at": "2022-09-04T14:37:30.726825Z",
"structure_string": "Sb1 F5\n1.0\n3.484406 0.000000 1.281358\n1.064216 4.601101 2.484335\n0.059385 1.120872 5.216774\nSb F\n1 5\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500002 0.764779 0.235221 F\n0.500002 0.235220 0.764779 F\n0.789410 0.210591 0.210591 F\n0.210593 0.789408 0.789409 F\n0.000001 0.500000 0.500000 F\n",
"nsites": 6,
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"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 4.791880837533494,
"density_atomic": 0.07988128032565811,
"volume": 75.11146510846274,
"volume_molar": 7.538863592883188,
"formula_full": "Sb1 F5",
"formula_reduced": "SbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0541417608333332,
"spacegroup": 71
},
{
"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",
"nsites": 6,
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"elements": [
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"volume": 75.11055598591331,
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"formula_full": "Sb1 F5",
"formula_reduced": "SbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0541417608333332,
"spacegroup": 71
},
{
"id": "jvasp-30626",
"created_at": "2022-09-04T14:37:18.741585Z",
"updated_at": "2022-09-04T14:37:18.741615Z",
"structure_string": "Sb2 F8\n1.0\n4.432894 -0.233559 -2.635593\n-0.771175 4.814053 -1.698002\n-0.669478 0.487595 6.067112\nSb F\n2 8\ndirect\n-0.001754 0.498972 -0.001308 Sb\n0.498228 -0.001286 -0.001144 Sb\n0.007305 0.266852 0.230044 F\n0.535450 0.277576 0.767442 F\n0.123662 0.592624 0.763860 F\n-0.017533 0.138699 0.754558 F\n0.326007 0.858623 0.233703 F\n0.460491 0.402500 0.229527 F\n0.881086 0.726710 0.242699 F\n0.671704 0.731362 0.768089 F\n",
"nsites": 10,
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"elements": [
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"density": 5.284396912906449,
"density_atomic": 0.08046220142742591,
"volume": 124.28195876569012,
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"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0272740565,
"spacegroup": 5
},
{
"id": "jvasp-2157",
"created_at": "2022-09-04T14:35:52.226503Z",
"updated_at": "2022-09-04T14:35:52.226537Z",
"structure_string": "Sb2 F6\n1.0\n4.367152 -0.020172 0.000000\n-1.730556 4.009688 0.000000\n0.000000 0.000000 7.150453\nSb F\n2 6\ndirect\n0.205662 0.790590 0.250000 Sb\n0.790589 0.205663 0.750000 Sb\n0.315356 0.380898 0.250000 F\n0.380898 0.315356 0.750000 F\n0.976715 0.588033 0.932154 F\n0.588031 0.976716 0.067845 F\n0.976715 0.588033 0.567845 F\n0.588031 0.976716 0.432155 F\n",
"nsites": 8,
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"density": 4.750748115523657,
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"volume": 124.96137521126097,
"volume_molar": 9.406687388567354,
"formula_full": "Sb2 F6",
"formula_reduced": "SbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 40
},
{
"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",
"nsites": 12,
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"elements": [
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"density": 4.324873525049133,
"density_atomic": 0.07209620734335553,
"volume": 166.44426166345258,
"volume_molar": 8.352923103596527,
"formula_full": "Sb2 F10",
"formula_reduced": "SbF5",
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"spacegroup": 63
}
]
}