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{
"id": "jvasp-38018",
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"updated_at": "2022-09-04T14:38:33.863231Z",
"structure_string": "Al2 Ag4\n1.0\n5.057840 -0.061883 0.000000\n-2.582513 4.349276 0.000000\n0.000000 0.000000 4.628089\nAl Ag\n2 4\ndirect\n0.016561 0.016561 0.000000 Al\n0.650237 0.650237 0.500000 Al\n0.682308 0.360827 0.000000 Ag\n0.360827 0.682309 0.000000 Ag\n0.305945 0.984458 0.500000 Ag\n0.984458 0.305945 0.500000 Ag\n",
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{
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"structure_string": "Al5 Ag15\n1.0\n6.995451 0.001317 -0.028934\n-0.029058 6.995391 -0.028934\n0.001311 0.001317 6.995510\nAl Ag\n5 15\ndirect\n0.690817 0.690818 0.690818 Al\n0.193148 0.317178 0.803302 Al\n0.317177 0.803302 0.193149 Al\n0.803302 0.193149 0.317178 Al\n0.058250 0.058250 0.058250 Al\n0.565992 0.934791 0.439441 Ag\n0.360312 0.961286 0.801334 Ag\n0.297944 0.630607 0.544219 Ag\n0.039651 0.701204 0.880874 Ag\n0.880874 0.039652 0.701204 Ag\n0.801333 0.360315 0.961286 Ag\n0.701204 0.880874 0.039652 Ag\n0.630606 0.544219 0.297945 Ag\n0.934790 0.439441 0.565993 Ag\n0.961285 0.801334 0.360315 Ag\n0.129015 0.450733 0.199904 Ag\n0.199904 0.129015 0.450733 Ag\n0.450732 0.199904 0.129015 Ag\n0.544218 0.297945 0.630607 Ag\n0.439440 0.565993 0.934791 Ag\n",
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},
{
"id": "jvasp-110067",
"created_at": "2022-09-04T14:38:18.430457Z",
"updated_at": "2022-09-04T14:38:18.430483Z",
"structure_string": "Al1 Ag3 F6\n1.0\n5.067058 -0.000000 2.925467\n1.689019 4.777268 2.925467\n-0.000000 -0.000000 5.850935\nAl Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.781511 0.218489 0.218489 F\n0.218489 0.781511 0.781511 F\n0.218489 0.781511 0.218489 F\n0.781511 0.218489 0.781511 F\n0.218489 0.218489 0.781510 F\n0.781511 0.781511 0.218489 F\n",
"nsites": 10,
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"elements": [
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"density": 5.446852752838524,
"density_atomic": 0.07060561588224555,
"volume": 141.63179337855752,
"volume_molar": 8.529265958169093,
"formula_full": "Al1 Ag3 F6",
"formula_reduced": "AlAg3F6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102810",
"created_at": "2022-09-04T14:37:14.020903Z",
"updated_at": "2022-09-04T14:37:14.020921Z",
"structure_string": "Al1 Ag4\n1.0\n2.901293 -0.012689 11.265673\n1.416661 2.531943 11.265673\n-0.021749 -0.012689 11.633246\nAl Ag\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.603354 0.603354 0.603356 Ag\n0.201062 0.201061 0.201062 Ag\n0.798938 0.798937 0.798940 Ag\n0.396645 0.396644 0.396646 Ag\n",
"nsites": 5,
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"density": 8.80077889477261,
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"volume": 86.5015868027024,
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"formula_full": "Al1 Ag4",
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},
{
"id": "jvasp-51309",
"created_at": "2022-09-04T14:36:46.656345Z",
"updated_at": "2022-09-04T14:36:46.656358Z",
"structure_string": "Al1 Ag1 B1\n1.0\n0.000000 2.843741 2.843741\n2.843741 -0.000000 2.843741\n2.843741 2.843741 -0.000000\nAl Ag B\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 B\n",
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"density_atomic": 0.06522605922585659,
"volume": 45.99388703849144,
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"formula_full": "Al1 Ag1 B1",
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"spacegroup": 216
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{
"id": "jvasp-10875",
"created_at": "2022-09-04T14:37:11.388346Z",
"updated_at": "2022-09-04T14:37:11.388364Z",
"structure_string": "Al4 Ag4 O8\n1.0\n5.433318 0.000000 0.000000\n0.000000 5.481462 0.000000\n0.000000 0.000000 6.986104\nAl Ag O\n4 4 8\ndirect\n0.933203 0.000179 0.124299 Al\n0.566797 0.500178 0.624299 Al\n0.066797 0.500178 0.875700 Al\n0.433203 0.000179 0.375701 Al\n0.446813 0.997053 0.861697 Ag\n0.553187 0.497053 0.138302 Ag\n0.053187 0.497053 0.361697 Ag\n0.946813 0.997053 0.638302 Ag\n0.382203 0.564490 0.828846 O\n0.617797 0.064491 0.171153 O\n0.117797 0.064491 0.328847 O\n0.882203 0.564490 0.671153 O\n0.468021 0.686178 0.431616 O\n0.968021 0.686178 0.068384 O\n0.031979 0.186178 0.931616 O\n0.531980 0.186178 0.568383 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ag-Al-O",
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"formula_full": "Al4 Ag4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 33
},
{
"id": "jvasp-79227",
"created_at": "2022-09-04T14:37:14.065656Z",
"updated_at": "2022-09-04T14:37:14.065677Z",
"structure_string": "Al1 Ag1 O2\n1.0\n-1.441707 2.497109 -0.000000\n-2.883413 -0.000000 -0.000000\n-1.441707 0.832370 6.097729\nAl Ag O\n1 1 2\ndirect\n0.001952 0.001953 0.994144 Al\n0.838833 0.838833 0.483503 Ag\n0.720161 0.720161 0.839520 O\n0.280056 0.280056 0.159835 O\n",
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"spacegroup": 160
},
{
"id": "jvasp-3027",
"created_at": "2022-09-04T14:36:49.516321Z",
"updated_at": "2022-09-04T14:36:49.516342Z",
"structure_string": "Al2 Ag2 O4\n1.0\n1.453345 -2.517266 0.000000\n1.453345 2.517266 0.000000\n0.000000 0.000000 12.307068\nAl Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.666666 0.333331 0.250000 Ag\n0.333331 0.666666 0.750000 Ag\n0.333331 0.666666 0.577976 O\n0.666666 0.333331 0.077976 O\n0.333331 0.666666 0.922024 O\n0.666666 0.333331 0.422024 O\n",
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"formula_full": "Al2 Ag2 O4",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-17349",
"created_at": "2022-09-04T14:36:00.408270Z",
"updated_at": "2022-09-04T14:36:00.408296Z",
"structure_string": "Al1 Ag1 O3\n1.0\n3.975340 -0.000000 0.000000\n0.000000 3.975340 0.000000\n-0.000000 -0.000000 3.975340\nAl Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-105115",
"created_at": "2022-09-04T14:36:47.366854Z",
"updated_at": "2022-09-04T14:36:47.366877Z",
"structure_string": "Al1 Ag1 O3\n1.0\n3.738976 -0.000000 0.000000\n0.000000 3.738976 0.000000\n-0.000000 -0.000000 3.738976\nAl Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.500001 O\n-0.000000 0.500001 -0.000000 O\n0.500001 0.000000 -0.000000 O\n",
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},
{
"id": "jvasp-111110",
"created_at": "2022-09-04T14:38:37.892307Z",
"updated_at": "2022-09-04T14:38:37.892338Z",
"structure_string": "Al1 Ag1 P2 Se6\n1.0\n6.346376 -0.000047 0.894699\n-3.365735 5.380364 0.894699\n0.038076 0.068731 7.095145\nAl Ag P Se\n1 1 2 6\ndirect\n0.332821 0.667178 0.000000 Al\n0.666971 0.333028 0.000000 Ag\n0.053372 0.052834 0.834238 P\n0.947167 0.946627 0.165763 P\n0.119491 0.436894 0.748014 Se\n0.397659 0.041755 0.743693 Se\n0.958246 0.602341 0.256308 Se\n0.563106 0.880509 0.251987 Se\n0.724966 0.763791 0.746964 Se\n0.236208 0.275035 0.253037 Se\n",
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],
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"density": 4.610942302113258,
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"volume": 241.48784738193947,
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"formula_full": "Al1 Ag1 P2 Se6",
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{
"id": "jvasp-78868",
"created_at": "2022-09-04T14:36:40.163999Z",
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"structure_string": "Al1 Ag1 S2\n1.0\n-1.764803 3.056728 -0.000000\n-3.529607 0.000000 0.000000\n-1.764803 1.018910 6.922179\nAl Ag S\n1 1 2\ndirect\n0.001083 0.001082 0.996753 Al\n0.844395 0.844394 0.466815 Ag\n0.728104 0.728103 0.815689 S\n0.267419 0.267418 0.197743 S\n",
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