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{
"id": "jvasp-14144",
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"updated_at": "2022-09-04T14:37:50.199401Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.128957 0.322207\n6.447472 0.000000 0.000000\n0.000000 -6.359142 -10.784139\nLu P S\n4 4 16\ndirect\n0.561474 0.326006 0.166631 Lu\n0.438526 0.826006 0.333369 Lu\n0.438527 0.673993 0.833369 Lu\n0.561474 0.173993 0.666631 Lu\n0.702379 0.225664 0.967320 P\n0.297622 0.725664 0.532680 P\n0.297622 0.774335 0.032680 P\n0.702379 0.274336 0.467320 P\n0.244287 0.553923 0.130335 S\n0.755713 0.053923 0.369665 S\n0.735561 0.953418 0.892282 S\n0.264439 0.453418 0.607718 S\n0.264439 0.046582 0.107717 S\n0.735561 0.546582 0.392282 S\n0.876121 0.245388 0.157884 S\n0.411798 0.266997 0.910615 S\n0.123880 0.754612 0.842115 S\n0.876121 0.254612 0.657884 S\n0.244287 0.946077 0.630335 S\n0.588203 0.766997 0.589385 S\n0.588203 0.733002 0.089385 S\n0.411798 0.233003 0.410615 S\n0.123879 0.745388 0.342115 S\n0.755713 0.446077 0.869665 S\n",
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{
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"updated_at": "2022-09-04T14:37:50.205394Z",
"structure_string": "Ti1 Sn1 Ru2\n1.0\n0.000095 3.147223 3.147308\n3.147355 0.000065 3.147337\n3.147322 3.147218 0.000099\nTi Sn Ru\n1 1 2\ndirect\n0.750005 0.750014 0.750004 Ti\n0.250001 0.249990 0.250006 Sn\n0.000010 0.999999 -0.000007 Ru\n0.499986 0.500002 0.500001 Ru\n",
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{
"id": "jvasp-40239",
"created_at": "2022-09-04T14:37:50.213258Z",
"updated_at": "2022-09-04T14:37:50.213277Z",
"structure_string": "Al2 Ru1 Pt1\n1.0\n-0.000000 3.030741 3.030741\n3.030741 -0.000000 3.030741\n3.030741 3.030741 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
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"volume": 55.67708226450632,
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{
"id": "jvasp-22762",
"created_at": "2022-09-04T14:37:50.253875Z",
"updated_at": "2022-09-04T14:37:50.253890Z",
"structure_string": "Tm2 Al14 Au6\n1.0\n7.085275 -0.013537 4.555963\n2.480139 6.637034 4.555963\n-0.019549 -0.013537 8.423630\nTm Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.499999 0.500000 Tm\n0.647454 0.430641 0.832198 Al\n0.167802 0.352545 0.569358 Al\n0.332198 0.930641 0.147454 Al\n0.930642 0.147454 0.332198 Al\n0.750000 0.749999 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.147454 0.332197 0.930642 Al\n0.352546 0.569357 0.167802 Al\n0.852546 0.667801 0.069358 Al\n0.069358 0.852545 0.667802 Al\n0.667802 0.069357 0.852546 Al\n0.832197 0.647453 0.430642 Al\n0.430642 0.832197 0.647454 Al\n0.569358 0.167802 0.352546 Al\n0.250000 0.575102 0.924897 Au\n0.075103 0.749999 0.424897 Au\n0.750000 0.424896 0.075103 Au\n0.424897 0.075102 0.750000 Au\n0.924897 0.249999 0.575103 Au\n0.575103 0.924896 0.250000 Au\n",
"nsites": 22,
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"elements": [
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"density": 7.930692294866472,
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"formula_full": "Tm2 Al14 Au6",
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{
"id": "jvasp-8191",
"created_at": "2022-09-04T14:37:50.256060Z",
"updated_at": "2022-09-04T14:37:50.256090Z",
"structure_string": "Zr1 Pd1 F6\n1.0\n4.788340 0.126135 3.321802\n1.805173 4.436830 3.321802\n0.182265 0.126134 5.824890\nZr Pd F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zr\n0.000000 0.000000 0.000000 Pd\n0.592202 0.257904 0.887916 F\n0.257904 0.887914 0.592203 F\n0.112084 0.407797 0.742096 F\n0.742095 0.112084 0.407798 F\n0.407797 0.742094 0.112085 F\n0.887915 0.592201 0.257905 F\n",
"nsites": 8,
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"formula_full": "Zr1 Pd1 F6",
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{
"id": "jvasp-49927",
"created_at": "2022-09-04T14:37:50.259359Z",
"updated_at": "2022-09-04T14:37:50.259382Z",
"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
"nsites": 18,
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"elements": [
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"density": 7.567539825083192,
"density_atomic": 0.0691757821233305,
"volume": 260.20667128719384,
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"formula_full": "Bi4 Se2 O12",
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"spacegroup": 9
},
{
"id": "jvasp-25009",
"created_at": "2022-09-04T14:37:50.259882Z",
"updated_at": "2022-09-04T14:37:50.259906Z",
"structure_string": "Sr2 Cr2 F8\n1.0\n5.205065 0.000000 -2.399573\n-1.106221 5.086156 -2.399573\n-0.027280 -0.033850 6.785930\nSr Cr F\n2 2 8\ndirect\n0.750001 0.750001 0.500001 Sr\n0.250000 0.250000 0.500000 Sr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.952109 0.452108 0.252776 F\n0.699334 0.199333 0.747226 F\n0.047893 0.547893 0.747226 F\n0.199333 0.047892 0.747226 F\n0.300667 0.800668 0.252775 F\n0.452108 0.300667 0.252775 F\n0.800668 0.952109 0.252776 F\n0.547893 0.699334 0.747227 F\n",
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"F"
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"volume": 178.80358835388304,
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"formula_full": "Sr2 Cr2 F8",
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{
"id": "jvasp-109083",
"created_at": "2022-09-04T14:37:50.267861Z",
"updated_at": "2022-09-04T14:37:50.267883Z",
"structure_string": "Yb1 Y1 Cd2\n1.0\n4.565481 -0.000000 2.635882\n1.521827 4.304377 2.635882\n-0.000000 -0.000000 5.271764\nYb Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Y\n0.750000 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-12289",
"created_at": "2022-09-04T14:37:50.278970Z",
"updated_at": "2022-09-04T14:37:50.278996Z",
"structure_string": "Na8 Pb2 O8\n1.0\n5.978480 0.003470 0.008175\n2.153398 5.572148 0.017970\n2.950094 0.099350 8.547336\nNa Pb O\n8 2 8\ndirect\n0.748949 0.750634 0.995072 Na\n0.251051 0.249366 0.004928 Na\n0.436500 0.254056 0.591435 Na\n0.563500 0.745944 0.408565 Na\n0.020176 0.264180 0.430724 Na\n0.979823 0.735820 0.569276 Na\n0.887345 0.277563 0.793607 Na\n0.112655 0.722437 0.206392 Na\n0.661067 0.274304 0.228420 Pb\n0.338932 0.725697 0.771580 Pb\n0.114266 0.509834 0.804177 O\n0.885734 0.490166 0.195823 O\n0.313845 0.486184 0.378334 O\n0.686155 0.513816 0.621665 O\n0.199054 0.992168 0.613586 O\n0.800946 0.007832 0.386413 O\n0.347874 0.842625 0.975360 O\n0.652126 0.157375 0.024640 O\n",
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{
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"updated_at": "2022-09-04T14:37:50.282290Z",
"structure_string": "V2 Fe1 Se4\n1.0\n0.000000 3.371958 -0.000000\n0.009518 -0.000000 6.157758\n5.861236 -1.685980 -2.906036\nV Fe Se\n2 1 4\ndirect\n0.256010 0.316367 0.512019 V\n0.743991 0.683633 0.487982 V\n0.000000 0.000000 0.000000 Fe\n0.104491 0.443841 0.208981 Se\n0.895510 0.556159 0.791020 Se\n0.361608 0.023900 0.723216 Se\n0.638393 0.976101 0.276785 Se\n",
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{
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"structure_string": "Si1 Sn1 Pt5\n1.0\n4.009678 0.000000 -0.000000\n0.000000 4.009678 0.000000\n0.000000 0.000000 7.153352\nSi Sn Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.296436 Pt\n0.000000 0.500000 0.703563 Pt\n0.500000 0.000000 0.296436 Pt\n0.500000 0.000000 0.703563 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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}