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{
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{
"id": "jvasp-45237",
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"updated_at": "2022-09-04T14:38:01.415570Z",
"structure_string": "Li1 Ti1 V3 O10\n1.0\n6.596422 0.045765 0.121048\n0.045765 6.596422 -0.121048\n0.083620 -0.083620 4.516637\nLi Ti V O\n1 1 3 10\ndirect\n0.499252 0.999251 -0.000000 Li\n0.751373 0.251373 0.500001 Ti\n0.250319 0.750319 0.500000 V\n0.252408 0.250217 0.624384 V\n0.750218 0.752408 0.375617 V\n0.031627 0.759046 0.300540 O\n0.273772 0.224040 0.265135 O\n0.259047 0.531627 0.699460 O\n0.260324 0.959955 0.739122 O\n0.459956 0.760324 0.260878 O\n0.524215 0.235999 0.742585 O\n0.735998 0.024216 0.257417 O\n0.743701 0.483757 0.286932 O\n0.724039 0.773772 0.734866 O\n0.983757 0.243701 0.713069 O\n",
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{
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"structure_string": "Li3 Co2 Si2 O8\n1.0\n0.063540 -5.158264 -0.248357\n5.158166 -0.069312 -0.248358\n0.033647 -0.033685 6.617543\nLi Co Si O\n3 2 2 8\ndirect\n0.573884 0.093552 0.554541 Li\n0.906444 0.426109 0.445460 Li\n0.137381 0.862618 0.499997 Li\n0.812362 0.187637 -0.000001 Co\n0.198534 0.801467 -0.000002 Co\n0.333714 0.326595 0.251660 Si\n0.673407 0.666287 0.748336 Si\n0.190452 0.177540 0.047633 O\n0.651131 0.279755 0.245807 O\n0.230161 0.208682 0.454320 O\n0.720244 0.348867 0.754191 O\n0.242477 0.635231 0.244862 O\n0.791320 0.769838 0.545678 O\n0.364774 0.757528 0.755135 O\n0.822462 0.809548 0.952365 O\n",
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"formula_full": "Li3 Co2 Si2 O8",
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{
"id": "jvasp-46959",
"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
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"volume": 143.692814762327,
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"formula_full": "Li4 Co3 O2 F6",
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{
"id": "jvasp-4573",
"created_at": "2022-09-04T14:37:55.501967Z",
"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
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{
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"created_at": "2022-09-04T14:37:57.310147Z",
"updated_at": "2022-09-04T14:37:57.310167Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
"nsites": 15,
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"volume": 276.35618410156223,
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"formula_full": "Sm1 Mo6 S8",
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{
"id": "jvasp-29528",
"created_at": "2022-09-04T14:37:56.918094Z",
"updated_at": "2022-09-04T14:37:56.918125Z",
"structure_string": "Pb5 I10\n1.0\n4.588677 -0.000000 -0.000000\n-2.294339 3.973912 -0.000000\n0.000000 0.000000 35.214740\nPb I\n5 10\ndirect\n-0.000000 -0.000000 0.853002 Pb\n0.333333 0.666667 0.452924 Pb\n0.333333 0.666667 0.652641 Pb\n0.333333 0.666667 0.253090 Pb\n0.333333 0.666667 0.053336 Pb\n0.666667 0.333333 0.107152 I\n0.666667 0.333333 0.706430 I\n-0.000000 -0.000000 0.199287 I\n0.333333 0.666667 0.799205 I\n0.666667 0.333333 0.506718 I\n0.000000 0.000000 -0.000441 I\n0.666667 0.333333 0.306891 I\n0.666667 0.333333 0.906809 I\n-0.000000 -0.000000 0.399124 I\n-0.000000 -0.000000 0.598832 I\n",
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"volume": 642.1407344030066,
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"formula_full": "Pb5 I10",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-47370",
"created_at": "2022-09-04T14:38:02.005089Z",
"updated_at": "2022-09-04T14:38:02.005116Z",
"structure_string": "Li8 Mn1 O5 F1\n1.0\n5.261840 0.009645 -0.006318\n-2.137986 4.819287 0.009325\n-2.484537 -1.189485 5.063509\nLi Mn O F\n8 1 5 1\ndirect\n0.243442 0.470970 0.359016 Li\n0.122575 0.229395 0.653989 Li\n0.406001 0.886085 0.643481 Li\n0.710059 0.359517 0.008161 Li\n0.318639 0.674875 0.975808 Li\n0.578462 0.097769 0.347622 Li\n0.901859 0.795154 0.369414 Li\n0.757486 0.520037 0.653313 Li\n0.955631 0.966269 0.977690 Mn\n0.491964 0.577607 0.759280 O\n0.870227 0.108804 0.236722 O\n0.167683 0.777052 0.232434 O\n0.813148 0.204505 0.752879 O\n0.114778 0.885947 0.753918 O\n0.548041 0.446022 0.276277 F\n",
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],
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"spacegroup": 1
},
{
"id": "jvasp-30299",
"created_at": "2022-09-04T14:37:57.360282Z",
"updated_at": "2022-09-04T14:37:57.360318Z",
"structure_string": "Mn5 O9 F1\n1.0\n4.748116 -0.024463 -0.061989\n0.885273 4.954553 -0.116826\n1.839528 -2.742101 6.918487\nMn O F\n5 9 1\ndirect\n0.004297 0.197232 0.401681 Mn\n0.986553 0.001444 0.011057 Mn\n0.002517 0.592302 0.196368 Mn\n0.994377 0.791944 0.589778 Mn\n0.985122 0.420392 0.803808 Mn\n0.212070 0.208434 0.157224 O\n0.212847 0.809906 0.356924 O\n0.209268 0.412970 0.556214 O\n0.209036 0.614067 0.959914 O\n0.792278 0.385426 0.040236 O\n0.783758 -0.010245 0.242576 O\n0.784935 0.589616 0.443253 O\n0.794531 0.186572 0.642544 O\n0.787308 0.806095 0.842140 O\n0.238252 -0.005915 0.753006 F\n",
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{
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"created_at": "2022-09-04T14:38:04.073028Z",
"updated_at": "2022-09-04T14:38:04.073056Z",
"structure_string": "Li3 Fe1 P2 H1 O8\n1.0\n4.965031 0.102003 0.044149\n-2.002752 4.621724 0.000074\n-0.008986 -0.094976 6.170356\nLi Fe P H O\n3 1 2 1 8\ndirect\n0.622271 0.221007 0.755393 Li\n-0.000001 -0.000000 0.500000 Li\n0.377727 0.778991 0.244607 Li\n0.000000 0.000000 0.000000 Fe\n0.640166 0.360423 0.245810 P\n0.359832 0.639575 0.754190 P\n-0.000001 0.499999 0.500000 H\n0.760866 0.249437 0.049176 O\n0.782202 0.294793 0.457685 O\n0.308308 0.191277 0.262661 O\n0.275675 0.310744 0.762128 O\n0.724323 0.689254 0.237872 O\n0.691691 0.808720 0.737339 O\n0.217796 0.705205 0.542316 O\n0.239133 0.750561 0.950824 O\n",
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{
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"created_at": "2022-09-04T14:37:41.223938Z",
"updated_at": "2022-09-04T14:37:41.223966Z",
"structure_string": "B6 O9\n1.0\n2.181792 -3.778973 -0.000000\n2.181792 3.778973 0.000000\n0.000000 0.000000 8.349249\nB O\n6 9\ndirect\n0.728958 0.900279 0.100767 B\n0.099720 0.828677 0.434101 B\n0.171322 0.271041 0.767434 B\n0.495360 0.433027 0.317231 B\n0.566972 0.062333 0.650564 B\n0.937667 0.504640 0.983897 B\n0.782964 0.517828 0.413895 O\n0.734863 0.217035 0.080561 O\n0.482171 0.265136 0.747228 O\n0.489337 0.666665 0.209009 O\n0.333334 0.822671 0.542342 O\n0.177328 0.510662 0.875676 O\n0.184518 0.116271 0.337433 O\n0.883729 0.068248 0.670766 O\n0.931752 0.815481 0.004099 O\n",
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},
{
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"created_at": "2022-09-04T14:37:55.924751Z",
"updated_at": "2022-09-04T14:37:55.924776Z",
"structure_string": "Mn2 Fe1 C6 N6\n1.0\n2.981527 -5.164157 0.000000\n2.981527 5.164157 0.000000\n0.000000 0.000000 6.475485\nMn Fe C N\n2 1 6 6\ndirect\n0.666668 0.333333 0.500004 Mn\n0.333333 0.666668 0.499995 Mn\n0.000000 0.000000 0.000000 Fe\n0.245979 -0.000004 0.821892 C\n0.245983 0.245979 0.178107 C\n0.754022 1.000005 0.178107 C\n1.000004 0.245983 0.821892 C\n-0.000003 0.754018 0.178107 C\n0.754018 0.754022 0.821892 C\n0.615612 0.615615 0.690748 N\n0.615615 0.000003 0.309251 N\n0.999998 0.615612 0.309251 N\n0.384386 0.999998 0.690748 N\n0.384389 0.384386 0.309251 N\n0.000003 0.384389 0.690748 N\n",
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],
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"volume": 199.40703734554197,
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"formula_full": "Mn2 Fe1 C6 N6",
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},
{
"id": "jvasp-48686",
"created_at": "2022-09-04T14:36:02.558638Z",
"updated_at": "2022-09-04T14:36:02.558664Z",
"structure_string": "Li4 Fe3 O2 F6\n1.0\n-5.034655 0.007208 0.012705\n0.949704 5.237709 -0.027736\n-0.111745 -1.747446 -5.551726\nLi Fe O F\n4 3 2 6\ndirect\n0.262627 0.972841 0.864224 Li\n0.758991 -0.002350 0.633848 Li\n0.241011 0.002350 0.366152 Li\n0.737375 0.027159 0.135777 Li\n0.499172 0.496436 0.784706 Fe\n0.500831 0.503564 0.215295 Fe\n0.000000 0.500000 0.000000 Fe\n0.641477 0.243626 0.933519 O\n0.358526 0.756375 0.066482 O\n0.132996 0.206678 0.684990 F\n0.875599 0.766002 0.820690 F\n0.597508 0.253251 0.435430 F\n0.402494 0.746749 0.564570 F\n0.124404 0.233998 0.179310 F\n0.867006 0.793322 0.315010 F\n",
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}
]
}