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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1069",
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"results": [
{
"id": "jvasp-8670",
"created_at": "2022-09-04T14:36:52.566235Z",
"updated_at": "2022-09-04T14:36:52.566255Z",
"structure_string": "Sb2 Te2 I2\n1.0\n4.282476 0.000127 -0.000345\n-2.140743 6.947513 -0.092674\n-2.137393 -1.030896 7.342200\nSb Te I\n2 2 2\ndirect\n0.378346 0.511919 0.245405 Sb\n0.621656 0.488080 0.754595 Sb\n0.077804 0.252176 0.903149 Te\n0.922198 0.747823 0.096851 Te\n0.783578 0.202467 0.365059 I\n0.216424 0.797532 0.634940 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Te",
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],
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"density": 5.731174605707423,
"density_atomic": 0.02751836244939753,
"volume": 218.03622984591368,
"volume_molar": 21.884081115196754,
"formula_full": "Sb2 Te2 I2",
"formula_reduced": "SbTeI",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-113060",
"created_at": "2022-09-04T14:38:46.403517Z",
"updated_at": "2022-09-04T14:38:46.403541Z",
"structure_string": "Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n",
"nsites": 11,
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"elements": [
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"density": 5.4737110175567745,
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"volume": 385.37593379972486,
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"formula_full": "Sn3 Sb1 Se2 I5",
"formula_reduced": "Sn3SbSe2I5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4059335734848486,
"spacegroup": 8
},
{
"id": "jvasp-5194",
"created_at": "2022-09-04T14:36:31.600966Z",
"updated_at": "2022-09-04T14:36:31.600998Z",
"structure_string": "Sb4 Se4 I4\n1.0\n4.172918 0.000000 0.000000\n0.000000 8.838736 0.000000\n0.000000 0.000000 10.599209\nSb Se I\n4 4 4\ndirect\n0.750000 0.117955 0.129151 Sb\n0.750000 0.617955 0.370849 Sb\n0.250000 0.882045 0.870849 Sb\n0.250000 0.382045 0.629151 Sb\n0.750000 0.333323 0.453052 Se\n0.250000 0.666678 0.546948 Se\n0.250000 0.166677 0.953052 Se\n0.750000 0.833323 0.046948 Se\n0.750000 0.515965 0.826599 I\n0.250000 0.484035 0.173401 I\n0.750000 0.015965 0.673401 I\n0.250000 0.984036 0.326599 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se",
"density": 5.566496640411596,
"density_atomic": 0.030695716641870766,
"volume": 390.93402314091253,
"volume_molar": 19.618830960230607,
"formula_full": "Sb4 Se4 I4",
"formula_reduced": "SbSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.680601913888889,
"spacegroup": 62
},
{
"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-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-86794",
"created_at": "2022-09-04T14:36:00.892471Z",
"updated_at": "2022-09-04T14:36:00.892491Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392922 -0.000000 -0.582894\n0.000000 4.358576 0.000000\n-0.021888 0.000000 10.038834\nZr Ir\n4 4\ndirect\n0.695084 0.750001 0.390168 Zr\n0.438774 0.750001 0.877548 Zr\n0.304915 0.250000 0.609832 Zr\n0.561225 0.250000 0.122452 Zr\n0.056503 0.750001 0.113006 Ir\n0.831549 0.750001 0.663099 Ir\n0.943496 0.250000 0.886994 Ir\n0.168450 0.250000 0.336901 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.686233328694335,
"density_atomic": 0.0539077147244063,
"volume": 148.4017647733463,
"volume_molar": 11.171203956218761,
"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.4913578000000003,
"spacegroup": 63
},
{
"id": "jvasp-79505",
"created_at": "2022-09-04T14:36:50.373626Z",
"updated_at": "2022-09-04T14:36:50.373646Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985602 0.000000 -0.000000\n-0.000000 3.985602 0.000000\n0.000000 -0.000000 3.985602\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 17.51711173919386,
"density_atomic": 0.06317979420611887,
"volume": 63.31138064410799,
"volume_molar": 9.531751148718945,
"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.34180945,
"spacegroup": 221
},
{
"id": "jvasp-7711",
"created_at": "2022-09-04T14:36:49.699290Z",
"updated_at": "2022-09-04T14:36:49.699323Z",
"structure_string": "Zr1 Ir1\n1.0\n3.307878 0.000000 -0.000000\n0.000000 3.307878 0.000000\n0.000000 0.000000 3.307878\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
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"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.003591501195809,
"density_atomic": 0.055256267394486275,
"volume": 36.194989171483,
"volume_molar": 10.89856597986732,
"formula_full": "Zr1 Ir1",
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"energy_above_hull": 2.5421428000000006,
"spacegroup": 221
},
{
"id": "jvasp-18947",
"created_at": "2022-09-04T14:37:14.702155Z",
"updated_at": "2022-09-04T14:37:14.702176Z",
"structure_string": "Zr2 Ir4\n1.0\n4.553002 0.000000 2.628676\n1.517667 4.292611 2.628676\n-0.000000 0.000000 5.257353\nZr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875000 0.875000 0.875001 Zr\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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],
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"density": 15.374017995581477,
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"volume": 102.75110794950635,
"volume_molar": 10.313027255298039,
"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.776675566666666,
"spacegroup": 227
},
{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
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"elements": [
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],
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"formula_full": "Zr4 Ir2",
"formula_reduced": "Zr2Ir",
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"spacegroup": 140
},
{
"id": "jvasp-36662",
"created_at": "2022-09-04T14:37:32.256942Z",
"updated_at": "2022-09-04T14:37:32.256952Z",
"structure_string": "Zr2 Ir2\n1.0\n0.000000 3.635256 -0.006582\n4.442463 0.000000 0.000000\n0.000000 -0.008165 -4.442536\nZr Ir\n2 2\ndirect\n0.499994 0.250000 0.249993 Zr\n0.500009 0.749999 0.750007 Zr\n-0.000167 0.749999 0.250001 Ir\n0.000168 0.250000 0.750000 Ir\n",
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"spacegroup": 123
}
]
}