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{
"id": "jvasp-15420",
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"structure_string": "Tb1 Si2 Ag2\n1.0\n3.925703 -0.000000 -1.406225\n-0.503724 3.893251 -1.406225\n-0.019093 -0.021723 6.129425\nTb Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.607023 0.607023 0.214048 Si\n0.392978 0.392977 0.785953 Si\n0.250001 0.750000 0.500001 Ag\n0.750000 0.250000 0.500000 Ag\n",
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{
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{
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"formula_full": "Sm1 Si2 Ag2",
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{
"id": "jvasp-39042",
"created_at": "2022-09-04T14:37:56.604240Z",
"updated_at": "2022-09-04T14:37:56.604264Z",
"structure_string": "Sm3 Si3 Ag3\n1.0\n3.584815 -6.209083 0.000000\n3.584815 6.209083 -0.000000\n-0.000000 -0.000000 4.258178\nSm Si Ag\n3 3 3\ndirect\n0.584502 0.000001 0.500000 Sm\n0.000001 0.584502 0.500000 Sm\n0.415499 0.415499 0.500000 Sm\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.249976 0.000000 0.000000 Ag\n0.750025 0.750025 0.000000 Ag\n0.000000 0.249976 0.000000 Ag\n",
"nsites": 9,
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"elements": [
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"density": 7.524271546349185,
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"volume": 189.56057655181618,
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"formula_full": "Sm3 Si3 Ag3",
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"spacegroup": 189
},
{
"id": "jvasp-37239",
"created_at": "2022-09-04T14:38:04.965020Z",
"updated_at": "2022-09-04T14:38:04.965040Z",
"structure_string": "Si3 Ag1\n1.0\n-2.131231 2.131231 3.708748\n2.131231 -2.131231 3.708748\n2.131231 2.131231 -3.708748\nSi Ag\n3 1\ndirect\n0.750000 0.250001 0.499999 Si\n0.250001 0.750000 0.499999 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-102326",
"created_at": "2022-09-04T14:36:50.118653Z",
"updated_at": "2022-09-04T14:36:50.118680Z",
"structure_string": "Si1 Ag3\n1.0\n2.925298 -0.000000 0.000000\n-1.462649 2.533383 0.000000\n0.000000 -0.000000 9.272577\nSi Ag\n1 3\ndirect\n0.333333 0.666666 0.500000 Si\n0.333333 0.666666 -0.000000 Ag\n0.666667 0.333333 0.742266 Ag\n0.666667 0.333333 0.257735 Ag\n",
"nsites": 4,
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"elements": [
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"formula_full": "Si1 Ag3",
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{
"id": "jvasp-102855",
"created_at": "2022-09-04T14:36:47.015394Z",
"updated_at": "2022-09-04T14:36:47.015417Z",
"structure_string": "Y2 Ag2 Se4\n1.0\n5.215177 -0.041333 -5.041553\n-0.966588 5.124987 -5.041553\n0.034543 0.041333 7.253560\nY Ag Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500001 Y\n0.500000 0.500001 0.000001 Ag\n0.250000 0.750000 0.500000 Ag\n0.762649 0.762649 0.000001 Se\n0.237352 0.237352 0.000000 Se\n0.987352 0.487352 0.500001 Se\n0.512648 0.012648 0.500000 Se\n",
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"volume": 195.7691736646896,
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"formula_full": "Y2 Ag2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-100871",
"created_at": "2022-09-04T14:36:46.963264Z",
"updated_at": "2022-09-04T14:36:46.963284Z",
"structure_string": "Y2 Ag2 Se4\n1.0\n5.127342 -0.007292 -2.172109\n-0.969216 5.194830 -2.305602\n0.077481 -0.067861 7.321007\nY Ag Se\n2 2 4\ndirect\n0.010008 0.001458 0.023787 Y\n0.255102 0.765697 0.513981 Y\n0.485705 0.588543 0.974955 Ag\n0.706316 0.091874 0.416648 Ag\n0.775126 0.720091 0.553997 Se\n0.246593 0.249595 0.497075 Se\n0.492499 0.068589 0.988740 Se\n0.019972 0.524221 0.043604 Se\n",
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"volume": 194.87867315632718,
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"formula_full": "Y2 Ag2 Se4",
"formula_reduced": "YAgSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-22683",
"created_at": "2022-09-04T14:36:14.837870Z",
"updated_at": "2022-09-04T14:36:14.837886Z",
"structure_string": "Y2 Ag2 Se4\n1.0\n6.565626 0.137064 4.579785\n3.094337 4.098258 9.530985\n-0.260296 0.027419 7.224085\nY Ag Se\n2 2 4\ndirect\n-0.014461 -0.007743 0.032938 Y\n0.740571 0.509977 0.005228 Y\n0.512179 0.103351 0.867896 Ag\n0.292218 0.382664 0.029520 Ag\n0.220064 0.947043 0.609155 Se\n0.749420 0.002858 0.494744 Se\n0.503304 0.575630 0.413982 Se\n0.975247 0.504958 0.540574 Se\n",
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"volume": 194.53736944384326,
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"formula_full": "Y2 Ag2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-103670",
"created_at": "2022-09-04T14:36:39.727965Z",
"updated_at": "2022-09-04T14:36:39.727993Z",
"structure_string": "Y1 Ag1 Se2\n1.0\n4.078227 -0.000000 0.000000\n0.000000 4.078227 0.000000\n-0.000000 -0.000000 5.713906\nY Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 -0.000000 Se\n",
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},
{
"id": "jvasp-13803",
"created_at": "2022-09-04T14:37:11.564227Z",
"updated_at": "2022-09-04T14:37:11.564247Z",
"structure_string": "Tl4 Ag4 Se4\n1.0\n4.680446 0.000000 0.000000\n-0.000000 7.629126 0.000000\n0.000000 0.000000 8.377793\nTl Ag Se\n4 4 4\ndirect\n0.750001 0.180580 0.006003 Tl\n0.250000 0.819421 0.993996 Tl\n0.750001 0.319420 0.506003 Tl\n0.250000 0.680580 0.493997 Tl\n0.250000 0.086606 0.676685 Ag\n0.750001 0.913395 0.323315 Ag\n0.250000 0.413395 0.176685 Ag\n0.750001 0.586606 0.823315 Ag\n0.750001 0.598429 0.182303 Se\n0.250000 0.401571 0.817696 Se\n0.750001 0.901572 0.682303 Se\n0.250000 0.098429 0.317696 Se\n",
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"formula_full": "Tl4 Ag4 Se4",
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},
{
"id": "jvasp-35240",
"created_at": "2022-09-04T14:38:03.590627Z",
"updated_at": "2022-09-04T14:38:03.590643Z",
"structure_string": "Ti1 Ag1 Se2\n1.0\n-1.810012 -3.135033 0.000000\n1.810012 -3.135033 0.000000\n-0.000000 -2.090022 7.462401\nTi Ag Se\n1 1 2\ndirect\n-0.000078 -0.000078 0.000236 Ti\n0.847648 0.847648 0.457052 Ag\n0.734081 0.734081 0.797753 Se\n0.263647 0.263647 0.209058 Se\n",
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}
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