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{
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"results": [
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
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{
"id": "jvasp-7798",
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"updated_at": "2022-09-04T14:37:06.585749Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985299 0.000000 0.000000\n0.000000 3.985299 -0.000000\n0.000000 -0.000000 3.985299\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",
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{
"id": "jvasp-86824",
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"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,
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"density": 5.0875153562379305,
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"volume": 656.0190338961188,
"volume_molar": 24.69149352101024,
"formula_full": "Sb4 I12",
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"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,
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"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",
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"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,
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"elements": [
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"chemical_system": "I-Sb",
"density": 5.086247289993947,
"density_atomic": 0.024383457131470655,
"volume": 656.1825877984096,
"volume_molar": 24.69764942489426,
"formula_full": "Sb4 I12",
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},
{
"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,
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"elements": [
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"Se",
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"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",
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"spacegroup": 62
},
{
"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": [
"Sn",
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"Se",
"I"
],
"chemical_system": "I-Sb-Se-Sn",
"density": 5.4737110175567745,
"density_atomic": 0.028543557174269645,
"volume": 385.37593379972486,
"volume_molar": 21.098073807803498,
"formula_full": "Sn3 Sb1 Se2 I5",
"formula_reduced": "Sn3SbSe2I5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4059335734848486,
"spacegroup": 8
},
{
"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,
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"volume": 218.03622984591368,
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"formula_full": "Sb2 Te2 I2",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-41858",
"created_at": "2022-09-04T14:37:39.090141Z",
"updated_at": "2022-09-04T14:37:39.090166Z",
"structure_string": "Sc2 I4\n1.0\n7.144002 -0.000000 0.000000\n0.000000 7.144002 0.000000\n0.000000 0.000000 4.120698\nSc I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.293205 0.293205 0.000000 I\n0.706795 0.706795 0.000000 I\n0.206795 0.793204 0.500000 I\n0.793204 0.206795 0.500000 I\n",
"nsites": 6,
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},
{
"id": "jvasp-107981",
"created_at": "2022-09-04T14:38:45.958302Z",
"updated_at": "2022-09-04T14:38:45.958325Z",
"structure_string": "Sc2 I6\n1.0\n10.376269 -0.000000 0.000000\n-5.188134 8.986113 0.000000\n-0.000000 -0.000000 3.807794\nSc I\n2 6\ndirect\n0.333334 0.666666 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n0.210256 0.420511 0.250000 I\n0.579489 0.789744 0.250000 I\n0.210256 0.789744 0.250000 I\n0.789744 0.579489 0.749999 I\n0.420511 0.210256 0.749999 I\n0.789744 0.210256 0.749999 I\n",
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{
"id": "jvasp-33798",
"created_at": "2022-09-04T14:38:03.611468Z",
"updated_at": "2022-09-04T14:38:03.611487Z",
"structure_string": "Se2 I4\n1.0\n7.975575 -0.000000 0.000000\n-0.000000 7.975575 0.000000\n0.000000 0.000000 3.913110\nSe I\n2 4\ndirect\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.317545 0.317545 0.000000 I\n0.682457 0.682457 0.000000 I\n0.817545 0.182456 0.500000 I\n0.182456 0.817545 0.500000 I\n",
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{
"id": "jvasp-123671",
"created_at": "2022-09-04T14:38:55.156264Z",
"updated_at": "2022-09-04T14:38:55.156292Z",
"structure_string": "Se2 I1\n1.0\n1.877895 -3.684494 0.060882\n2.251920 3.900437 0.000000\n0.128752 -0.074335 5.766056\nSe I\n2 1\ndirect\n0.735762 0.701204 0.551050 Se\n0.264234 -0.034560 0.782284 Se\n-0.000000 0.333356 0.166667 I\n",
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}
]
}