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{
"id": "jvasp-1423",
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"structure_string": "Au2 Se2\n1.0\n3.740361 0.000000 0.000000\n-1.870180 3.992624 -1.166465\n0.000000 0.016291 6.469971\nAu Se\n2 2\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.840643 0.681285 0.267568 Se\n0.159357 0.318713 0.732432 Se\n",
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{
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{
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"structure_string": "Au2 Xe2 F18\n1.0\n5.539671 0.079596 -9.540145\n-0.333116 5.530219 -9.540145\n-0.073874 -0.079596 11.031630\nAu Xe F\n2 2 18\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.154572 0.154572 -0.000000 Xe\n0.845427 0.845428 -0.000001 Xe\n0.237413 0.780313 0.149579 F\n0.762587 0.219687 0.850420 F\n0.630734 0.087833 0.850420 F\n0.087834 0.237413 0.457100 F\n0.369266 0.912166 0.149578 F\n0.912165 0.762587 0.542898 F\n0.780312 0.630734 0.542898 F\n0.219687 0.369266 0.457101 F\n0.026929 0.486067 0.165538 F\n0.251300 0.251300 -0.000000 F\n0.679471 0.138609 0.165538 F\n0.138609 0.973070 0.459137 F\n0.320529 0.861391 0.834461 F\n0.861391 0.026930 0.540862 F\n0.513933 0.679471 0.540862 F\n0.486067 0.320529 0.459137 F\n0.973071 0.513933 0.834461 F\n0.748699 0.748701 -0.000001 F\n",
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"elements": [
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"volume": 329.95206371262526,
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"formula_anonymous": "ABC9",
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{
"id": "jvasp-37881",
"created_at": "2022-09-04T14:37:33.599121Z",
"updated_at": "2022-09-04T14:37:33.599153Z",
"structure_string": "Au3 Br1\n1.0\n-2.132928 2.132928 4.323704\n2.132928 -2.132928 4.323704\n2.132928 2.132928 -4.323704\nAu Br\n3 1\ndirect\n0.750001 0.250000 0.500001 Au\n0.250000 0.750001 0.500001 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n",
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"volume": 78.6807220645563,
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"spacegroup": 139
},
{
"id": "jvasp-115460",
"created_at": "2022-09-04T14:38:46.402809Z",
"updated_at": "2022-09-04T14:38:46.402842Z",
"structure_string": "Au3 S1\n1.0\n4.935631 -0.175617 0.185847\n1.595511 -2.385678 -0.192158\n1.925637 -1.611149 -6.966144\nAu S\n3 1\ndirect\n0.908459 0.059958 0.027340 Au\n0.902732 0.627485 0.466537 Au\n0.421103 0.828494 0.246617 Au\n0.265155 -0.012130 0.743992 S\n",
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{
"id": "jvasp-86892",
"created_at": "2022-09-04T14:35:54.934915Z",
"updated_at": "2022-09-04T14:35:54.934945Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
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"volume": 230.6767256657542,
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"formula_full": "Au4 Br4",
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"spacegroup": 141
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{
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"created_at": "2022-09-04T14:35:59.442793Z",
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"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
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"formula_full": "Au4 Br4",
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{
"id": "jvasp-62045",
"created_at": "2022-09-04T14:35:58.689832Z",
"updated_at": "2022-09-04T14:35:58.689855Z",
"structure_string": "Au4 Br4\n1.0\n-3.556681 3.556681 4.550173\n3.556681 -3.556681 4.550173\n3.556681 3.556681 -4.550173\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 -0.000000 0.000000 Au\n0.183779 0.433779 0.250000 Br\n0.433779 0.183779 0.750000 Br\n0.816220 0.566221 0.750000 Br\n0.566221 0.816220 0.250000 Br\n",
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},
{
"id": "jvasp-12103",
"created_at": "2022-09-04T14:37:32.015044Z",
"updated_at": "2022-09-04T14:37:32.015071Z",
"structure_string": "Au4 Br4\n1.0\n4.236706 0.000000 -0.000000\n-0.000000 4.236706 -0.000000\n-0.000000 0.000000 12.460678\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500001 0.000000 0.500000 Au\n0.000000 0.500001 0.500000 Au\n0.500001 0.500001 0.000000 Au\n0.250000 0.250000 0.160239 Br\n0.250000 0.250000 0.660239 Br\n0.750001 0.750001 0.339762 Br\n0.750001 0.750001 0.839762 Br\n",
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{
"id": "jvasp-62413",
"created_at": "2022-09-04T14:35:48.102331Z",
"updated_at": "2022-09-04T14:35:48.102354Z",
"structure_string": "Au4 C4 S8 Cl12\n1.0\n5.098832 7.514913 0.061753\n-5.098832 7.514913 0.061753\n0.000000 5.644359 9.095171\nAu C S Cl\n4 4 8 12\ndirect\n0.945366 0.710536 0.539312 Au\n0.289464 0.054634 0.960687 Au\n0.054634 0.289464 0.460687 Au\n0.710536 0.945366 0.039312 Au\n0.251650 0.697415 0.550406 C\n0.302585 0.748350 0.949593 C\n0.748350 0.302585 0.449593 C\n0.697415 0.251650 0.050406 C\n0.147413 0.835145 0.074554 S\n0.164855 0.852587 0.425445 S\n0.548465 0.138576 0.168270 S\n0.861424 0.451535 0.331729 S\n0.451535 0.861424 0.831729 S\n0.138576 0.548465 0.668270 S\n0.852587 0.164855 0.925445 S\n0.835145 0.147413 0.574554 S\n0.896876 0.787446 0.885484 Cl\n0.435834 0.692796 0.554695 Cl\n0.307204 0.564166 0.945304 Cl\n0.564166 0.307204 0.445304 Cl\n0.692796 0.435834 0.054695 Cl\n0.787446 0.896876 0.385484 Cl\n0.539022 0.750085 0.176986 Cl\n0.249915 0.460978 0.323014 Cl\n0.460978 0.249915 0.823013 Cl\n0.750085 0.539022 0.676986 Cl\n0.212554 0.103124 0.614515 Cl\n0.103124 0.212554 0.114515 Cl\n",
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{
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"created_at": "2022-09-04T14:36:38.500834Z",
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"structure_string": "Au4 Cl12\n1.0\n0.000000 6.453787 -0.110920\n11.011806 0.000000 0.000000\n0.000000 -2.708967 -5.867278\nAu Cl\n4 12\ndirect\n0.261255 0.588258 0.960686 Au\n0.238745 0.088258 0.039314 Au\n0.738745 0.411742 0.039314 Au\n0.761255 0.911742 0.960686 Au\n0.105138 0.659545 0.198300 Cl\n0.394862 0.159545 0.801701 Cl\n0.894862 0.340456 0.801701 Cl\n0.605138 0.840456 0.198300 Cl\n0.938923 0.993285 0.733488 Cl\n0.561077 0.493285 0.266513 Cl\n0.061077 0.006715 0.266513 Cl\n0.438923 0.506716 0.733488 Cl\n0.476031 0.826508 0.657598 Cl\n0.023969 0.326508 0.342402 Cl\n0.523969 0.173492 0.342402 Cl\n-0.023969 0.673493 0.657598 Cl\n",
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{
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"structure_string": "Au4 Cl4\n1.0\n4.316346 -0.000000 -0.000000\n0.000000 4.316346 0.000000\n0.000000 0.000000 10.804360\nAu Cl\n4 4\ndirect\n0.250000 0.750001 0.750000 Au\n0.750001 0.750001 0.250000 Au\n0.250000 0.250000 0.250000 Au\n0.750001 0.250000 0.750000 Au\n0.500000 0.000000 0.915041 Cl\n0.500000 0.000000 0.415041 Cl\n0.000000 0.500000 0.084959 Cl\n0.000000 0.500000 0.584959 Cl\n",
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