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{
"id": "jvasp-114094",
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"updated_at": "2022-09-04T14:38:50.029152Z",
"structure_string": "Ba2 Te1\n1.0\n6.448527 0.850841 -2.296102\n-2.270795 -5.193760 -3.678309\n0.099947 -3.290716 -7.826255\nBa Te\n2 1\ndirect\n0.584239 0.366554 0.245863 Ba\n0.321853 0.076215 0.008253 Ba\n0.042381 0.240788 0.287638 Te\n",
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{
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"created_at": "2022-09-04T14:38:53.401956Z",
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"structure_string": "P1 Cl1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nP Cl\n1 1\ndirect\n0.000000 0.000000 0.106324 P\n0.000000 0.000000 0.893676 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:54.053066Z",
"structure_string": "Ba2 Se1\n1.0\n4.604289 0.576321 0.454824\n-3.715804 -8.460516 0.544500\n0.120741 2.255434 -4.080668\nBa Se\n2 1\ndirect\n0.522301 0.603729 0.521611 Ba\n0.522388 0.103692 0.521861 Ba\n0.022455 0.103730 0.021891 Se\n",
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{
"id": "jvasp-119041",
"created_at": "2022-09-04T14:38:49.584629Z",
"updated_at": "2022-09-04T14:38:49.584653Z",
"structure_string": "Ca16 In6\n1.0\n9.323021 -0.004312 -1.813541\n-5.115795 7.945005 -1.479464\n-0.011372 -0.020498 9.636640\nCa In\n16 6\ndirect\n0.921125 0.769163 0.391880 Ca\n0.228013 0.846854 0.202850 Ca\n0.537753 0.705337 0.794260 Ca\n0.961079 0.061272 0.171267 Ca\n0.038921 0.938728 0.828734 Ca\n0.771988 0.153146 0.797151 Ca\n0.879355 0.399494 0.146042 Ca\n0.667612 0.120852 0.388016 Ca\n0.462247 0.294663 0.205740 Ca\n0.332388 0.879147 0.611985 Ca\n0.297923 0.501436 0.387180 Ca\n0.120645 0.600505 0.853959 Ca\n0.533644 0.703002 0.149200 Ca\n0.466357 0.296997 0.850801 Ca\n0.702077 0.498564 0.612820 Ca\n0.078875 0.230836 0.608120 Ca\n0.500000 0.000000 0.000000 In\n0.826775 0.662090 -0.000132 In\n0.676125 0.838881 0.525389 In\n0.000000 0.500000 0.500000 In\n0.173225 0.337910 0.000133 In\n0.323876 0.161119 0.474612 In\n",
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"elements": [
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"volume": 712.9504736136629,
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"formula_full": "Ca16 In6",
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"spacegroup": 2
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{
"id": "jvasp-111321",
"created_at": "2022-09-04T14:38:49.805475Z",
"updated_at": "2022-09-04T14:38:49.805499Z",
"structure_string": "Hf4 Se2\n1.0\n3.442205 -0.000000 0.000000\n-1.721102 2.981037 0.000000\n-0.000000 -0.000000 12.282490\nHf Se\n4 2\ndirect\n0.333334 0.666667 0.093042 Hf\n0.666668 0.333334 0.906958 Hf\n0.666668 0.333334 0.593042 Hf\n0.333334 0.666667 0.406958 Hf\n0.000000 0.000000 0.250000 Se\n0.000000 0.000000 0.750000 Se\n",
"nsites": 6,
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"elements": [
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"density": 11.487229458536952,
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"volume": 126.0348116674256,
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"formula_full": "Hf4 Se2",
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"spacegroup": 194
},
{
"id": "jvasp-114063",
"created_at": "2022-09-04T14:38:49.802462Z",
"updated_at": "2022-09-04T14:38:49.802495Z",
"structure_string": "Al1 Cl2\n1.0\n4.846571 0.000000 0.000000\n-2.423285 4.197253 -0.000000\n0.000000 0.000000 3.392874\nAl Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666666 0.000000 Cl\n0.666666 0.333333 0.000000 Cl\n",
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"elements": [
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{
"id": "jvasp-118802",
"created_at": "2022-09-04T14:38:50.219641Z",
"updated_at": "2022-09-04T14:38:50.219672Z",
"structure_string": "Na3 Se1\n1.0\n3.977003 -0.414576 0.353239\n-0.852463 -7.895594 0.342584\n0.218686 -1.381194 -4.083933\nNa Se\n3 1\ndirect\n0.898825 0.894302 0.010774 Na\n0.398742 0.262558 0.326989 Na\n0.398610 0.583252 0.666661 Na\n0.898651 0.528600 0.193957 Se\n",
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"volume": 132.55866379071307,
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"formula_full": "Na3 Se1",
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{
"id": "jvasp-116460",
"created_at": "2022-09-04T14:38:49.690060Z",
"updated_at": "2022-09-04T14:38:49.690085Z",
"structure_string": "Au2 S1\n1.0\n4.478273 -0.321596 0.240837\n-2.710197 -4.823571 0.033532\n0.503646 2.561306 -3.651833\nAu S\n2 1\ndirect\n0.142071 0.100289 0.664203 Au\n0.477216 0.772193 0.935718 Au\n0.058939 0.933933 0.048370 S\n",
"nsites": 3,
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"spacegroup": 8
},
{
"id": "jvasp-123415",
"created_at": "2022-09-04T14:38:54.057240Z",
"updated_at": "2022-09-04T14:38:54.057266Z",
"structure_string": "Nd1 Zr1\n1.0\n1.695727 -2.937082 0.000000\n1.695727 2.937082 0.000000\n0.000000 0.000000 5.589394\nNd Zr\n1 1\ndirect\n0.666667 0.333334 0.250000 Nd\n0.333334 0.666667 0.749999 Zr\n",
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{
"id": "jvasp-115480",
"created_at": "2022-09-04T14:38:50.298475Z",
"updated_at": "2022-09-04T14:38:50.298491Z",
"structure_string": "B2 Br2\n1.0\n5.438144 0.415854 0.553375\n-0.653265 -6.085429 -0.024879\n-1.564682 -0.667219 -2.721929\nB Br\n2 2\ndirect\n0.167533 0.047864 -0.037032 B\n0.361903 0.842185 0.260019 B\n0.533445 0.675213 0.014878 Br\n-0.004033 0.214822 0.208097 Br\n",
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{
"id": "jvasp-121199",
"created_at": "2022-09-04T14:38:53.436797Z",
"updated_at": "2022-09-04T14:38:53.436818Z",
"structure_string": "Li2 Te1\n1.0\n9.099602 -0.000000 -0.000000\n0.000000 9.099602 0.000000\n-0.000000 0.000000 11.500869\nLi Te\n2 1\ndirect\n0.000000 0.000000 0.207646 Li\n0.000000 0.000000 0.792354 Li\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-123851",
"created_at": "2022-09-04T14:38:54.583820Z",
"updated_at": "2022-09-04T14:38:54.583847Z",
"structure_string": "Sr1 Bi5\n1.0\n2.283295 -3.954793 0.000000\n2.283295 3.954793 -0.000000\n-0.000000 -0.000000 12.139996\nSr Bi\n1 5\ndirect\n0.000000 0.000000 0.249992 Sr\n0.666665 0.333332 0.067058 Bi\n0.666665 0.333332 0.585339 Bi\n0.333332 0.666665 0.432941 Bi\n0.333332 0.666665 0.914662 Bi\n0.000000 0.000000 0.750008 Bi\n",
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}