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{
"id": "jvasp-14973",
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"structure_string": "In1 Te1\n1.0\n3.851023 -0.000000 2.223388\n1.283674 3.630779 2.223388\n-0.000000 -0.000000 4.446778\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500001 Te\n",
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{
"id": "jvasp-17671",
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"structure_string": "In4 Te4\n1.0\n6.795517 0.008793 -1.861781\n-3.953000 5.527470 -1.861781\n-0.004515 -0.008793 7.045940\nIn Te\n4 4\ndirect\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.683578 0.183579 0.867157 Te\n0.183578 0.316422 0.500000 Te\n0.816421 0.683578 0.500000 Te\n0.316421 0.816421 0.132843 Te\n",
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{
"id": "jvasp-15070",
"created_at": "2022-09-04T14:36:53.685587Z",
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"structure_string": "In1 Te1\n1.0\n3.898653 0.000000 0.000000\n-0.000000 3.898653 -0.000000\n-0.000000 -0.000000 3.898653\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-102341",
"created_at": "2022-09-04T14:36:52.310002Z",
"updated_at": "2022-09-04T14:36:52.310037Z",
"structure_string": "In2 Te3\n1.0\n4.507653 0.000000 0.000000\n-2.253827 3.903741 0.000000\n-0.000000 -0.000000 10.827854\nIn Te\n2 3\ndirect\n0.000000 0.000000 0.971754 In\n0.666666 0.333333 0.381262 In\n0.000000 0.000000 0.249781 Te\n0.666666 0.333333 0.631034 Te\n0.333333 0.666666 0.849501 Te\n",
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"density": 5.337476120039635,
"density_atomic": 0.026241952227763623,
"volume": 190.53460491822972,
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"formula_full": "In2 Te3",
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"formula_anonymous": "A2B3",
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"spacegroup": 156
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{
"id": "jvasp-3792",
"created_at": "2022-09-04T14:36:20.755375Z",
"updated_at": "2022-09-04T14:36:20.755396Z",
"structure_string": "Ir2 Br6\n1.0\n6.083443 -0.000000 2.029656\n3.041722 5.557939 1.014828\n0.007808 -0.000000 6.331243\nIr Br\n2 6\ndirect\n0.833415 0.333169 0.000001 Ir\n0.166584 0.666831 0.000000 Ir\n0.572509 0.349133 0.767469 Br\n0.078358 0.349133 0.232532 Br\n0.776379 0.000000 0.234549 Br\n0.223621 0.000000 0.765451 Br\n0.921642 0.650868 0.767469 Br\n0.427490 0.650868 0.232532 Br\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Br-Ir",
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"volume": 213.98014214602068,
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"formula_full": "Ir2 Br6",
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"spacegroup": 12
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{
"id": "jvasp-35978",
"created_at": "2022-09-04T14:37:18.497542Z",
"updated_at": "2022-09-04T14:37:18.497564Z",
"structure_string": "Ir1 C1\n1.0\n2.319438 2.319438 0.000000\n2.319438 0.000000 -2.319438\n0.000000 2.319438 -2.319438\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750001 0.750001 0.750001 C\n",
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"elements": [
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"spacegroup": 216
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{
"id": "jvasp-35984",
"created_at": "2022-09-04T14:37:19.156836Z",
"updated_at": "2022-09-04T14:37:19.156863Z",
"structure_string": "Ir1 C1\n1.0\n1.528479 -2.647403 0.000000\n1.528479 2.647403 0.000000\n0.000000 -0.000000 2.682490\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333334 0.666667 0.500000 C\n",
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"formula_full": "Ir1 C1",
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"spacegroup": 187
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{
"id": "jvasp-35981",
"created_at": "2022-09-04T14:37:18.964037Z",
"updated_at": "2022-09-04T14:37:18.964060Z",
"structure_string": "Ir1 C1\n1.0\n2.208967 2.208967 -0.000000\n2.208967 0.000000 -2.208967\n0.000000 2.208967 -2.208967\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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{
"id": "jvasp-32145",
"created_at": "2022-09-04T14:37:52.661763Z",
"updated_at": "2022-09-04T14:37:52.661776Z",
"structure_string": "Ir1 C2\n1.0\n3.453247 0.000000 0.000000\n-0.000000 3.453247 0.000000\n-1.726623 -1.726623 2.693918\nIr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.620984 0.620984 0.241967 C\n0.379018 0.379018 0.758034 C\n",
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"spacegroup": 139
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{
"id": "jvasp-93691",
"created_at": "2022-09-04T14:36:00.957018Z",
"updated_at": "2022-09-04T14:36:00.957050Z",
"structure_string": "Ir2 C4\n1.0\n0.000000 2.855649 -0.000000\n-2.517904 1.427824 2.950717\n1.050590 1.427824 7.332107\nIr C\n2 4\ndirect\n0.262407 -0.275768 0.750952 Ir\n0.737592 0.275768 0.249048 Ir\n0.914525 0.224838 0.946110 C\n0.085473 0.775161 0.053891 C\n0.588247 0.312026 0.511479 C\n0.411750 0.687974 0.488522 C\n",
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{
"id": "jvasp-78268",
"created_at": "2022-09-04T14:37:08.713567Z",
"updated_at": "2022-09-04T14:37:08.713588Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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{
"id": "jvasp-78453",
"created_at": "2022-09-04T14:36:31.791304Z",
"updated_at": "2022-09-04T14:36:31.791323Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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