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{
"id": "jvasp-104803",
"created_at": "2022-09-04T14:36:54.239934Z",
"updated_at": "2022-09-04T14:36:54.239971Z",
"structure_string": "K2 Li1 Sb1 F6\n1.0\n5.179186 -0.000000 2.990204\n1.726395 4.882983 2.990204\n-0.000000 -0.000000 5.980408\nK Li Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sb\n0.740618 0.259383 0.259382 F\n0.259383 0.259383 0.740617 F\n0.259384 0.740617 0.740616 F\n0.259384 0.740617 0.259382 F\n0.740618 0.259383 0.740616 F\n0.740619 0.740617 0.259381 F\n",
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{
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"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
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{
"id": "jvasp-110661",
"created_at": "2022-09-04T14:38:36.085566Z",
"updated_at": "2022-09-04T14:38:36.085598Z",
"structure_string": "K2 Li1 Sb1 Br6\n1.0\n6.679493 -0.000000 3.856407\n2.226498 6.297487 3.856407\n-0.000000 -0.000000 7.712815\nK Li Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744066 0.255934 0.255934 Br\n0.255934 0.255934 0.744066 Br\n0.255934 0.744066 0.744066 Br\n0.255934 0.744066 0.255934 Br\n0.744066 0.255934 0.744066 Br\n0.744066 0.744066 0.255934 Br\n",
"nsites": 10,
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"density_atomic": 0.030823099399724864,
"volume": 324.43200699308204,
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"formula_full": "K2 Li1 Sb1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-21436",
"created_at": "2022-09-04T14:38:33.296909Z",
"updated_at": "2022-09-04T14:38:33.296943Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557119 -4.429061 -0.000000\n2.557119 4.429061 -0.000000\n0.000000 -0.000000 8.700986\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.819503 K\n0.000000 0.000000 0.319503 K\n0.333333 0.666667 0.506163 Li\n0.666667 0.333333 0.006162 Li\n0.333333 0.666667 0.116991 S\n0.666667 0.333333 0.616991 S\n0.943288 0.605790 0.561774 O\n0.605790 0.943288 0.061774 O\n0.662502 0.056713 0.561774 O\n0.394210 0.337498 0.561774 O\n0.333333 0.666667 0.287522 O\n0.666667 0.333333 0.787522 O\n0.337498 0.394210 0.061774 O\n0.056713 0.662502 0.061774 O\n",
"nsites": 14,
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"elements": [
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"volume_molar": 8.477814957111773,
"formula_full": "K2 Li2 S2 O8",
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{
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"created_at": "2022-09-04T14:37:37.993661Z",
"updated_at": "2022-09-04T14:37:37.993678Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n5.075636 0.000000 0.054462\n2.537818 4.469259 0.027231\n-0.044531 0.000000 8.677431\nK Li S O\n2 2 2 8\ndirect\n0.960990 0.008686 0.494388 K\n0.969676 0.991314 0.994388 K\n0.632703 0.664452 0.308572 Li\n0.297155 0.335548 0.808572 Li\n0.298232 0.334009 0.197727 S\n0.632242 0.665991 0.697727 S\n0.013017 0.336755 0.240120 O\n0.349773 0.663245 0.740120 O\n0.562859 0.055295 0.254450 O\n0.618155 0.944705 0.754450 O\n0.663629 0.654920 0.527422 O\n0.318548 0.345080 0.027423 O\n0.898168 0.400697 0.764319 O\n0.298864 0.599303 0.264319 O\n",
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"formula_full": "K2 Li2 S2 O8",
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"spacegroup": 9
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{
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"created_at": "2022-09-04T14:37:34.308663Z",
"updated_at": "2022-09-04T14:37:34.308690Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557026 -4.428899 0.000000\n2.557026 4.428899 -0.000000\n0.000000 0.000000 8.705875\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.989774 K\n0.000000 0.000000 0.489774 K\n0.333334 0.666668 0.803264 Li\n0.666668 0.333334 0.303264 Li\n0.333334 0.666668 0.192357 S\n0.666668 0.333334 0.692357 S\n0.337554 0.943317 0.247563 O\n0.943317 0.605765 0.747563 O\n0.333334 0.666668 0.021913 O\n0.605765 0.662449 0.247563 O\n0.666668 0.333334 0.521913 O\n0.056684 0.394237 0.247563 O\n0.662448 0.056684 0.747563 O\n0.394237 0.337553 0.747563 O\n",
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{
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"created_at": "2022-09-04T14:36:37.963006Z",
"updated_at": "2022-09-04T14:36:37.963022Z",
"structure_string": "K2 Li1 Ru1 F6\n1.0\n4.945105 -0.000000 2.855057\n1.648369 4.662289 2.855057\n0.000000 0.000000 5.710116\nK Li Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ru\n0.750634 0.249367 0.249367 F\n0.249368 0.249367 0.750633 F\n0.249368 0.750633 0.750634 F\n0.249368 0.750633 0.249368 F\n0.750634 0.249367 0.750633 F\n0.750634 0.750633 0.249368 F\n",
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"density": 3.786494068585502,
"density_atomic": 0.0759591963217296,
"volume": 131.6496288039228,
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"formula_full": "K2 Li1 Ru1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102371",
"created_at": "2022-09-04T14:37:01.855282Z",
"updated_at": "2022-09-04T14:37:01.855308Z",
"structure_string": "K2 Li1 Rh1 F6\n1.0\n4.933361 -0.000000 2.848277\n1.644454 4.651218 2.848277\n-0.000000 -0.000000 5.696555\nK Li Rh F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.751700 0.248300 0.248300 F\n0.248300 0.248300 0.751700 F\n0.248299 0.751701 0.751700 F\n0.248299 0.751701 0.248300 F\n0.751700 0.248300 0.751700 F\n0.751699 0.751701 0.248301 F\n",
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"formula_full": "K2 Li1 Rh1 F6",
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},
{
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"created_at": "2022-09-04T14:36:52.192571Z",
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"structure_string": "K2 Li1 Pr1 I6\n1.0\n7.340064 -0.000000 4.237788\n2.446688 6.920279 4.237788\n-0.000000 0.000000 8.475576\nK Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pr\n0.741798 0.258202 0.258202 I\n0.258202 0.258202 0.741799 I\n0.258202 0.741798 0.741799 I\n0.258202 0.741798 0.258202 I\n0.741798 0.258202 0.741799 I\n0.741798 0.741798 0.258202 I\n",
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"formula_full": "K2 Li1 Pr1 I6",
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{
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"created_at": "2022-09-04T14:36:46.576362Z",
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"structure_string": "K2 Li1 Pr1 Cl6\n1.0\n6.392960 -0.000000 3.690977\n2.130987 6.027341 3.690977\n-0.000000 -0.000000 7.381955\nK Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.739303 0.260697 0.260698 Cl\n0.260698 0.260697 0.739302 Cl\n0.260698 0.739303 0.739302 Cl\n0.260698 0.739303 0.260697 Cl\n0.739303 0.260697 0.739302 Cl\n0.739303 0.739303 0.260698 Cl\n",
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},
{
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"created_at": "2022-09-04T14:38:15.788469Z",
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"structure_string": "K2 Li1 Pd1 F6\n1.0\n4.977010 -0.000000 2.873478\n1.659003 4.692370 2.873478\n-0.000000 -0.000000 5.746956\nK Li Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.748469 0.251530 0.251531 F\n0.251530 0.251530 0.748470 F\n0.251530 0.748470 0.748471 F\n0.251530 0.748470 0.251531 F\n0.748469 0.251530 0.748471 F\n0.748469 0.748470 0.251531 F\n",
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{
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"created_at": "2022-09-04T14:38:32.418633Z",
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"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
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}
]
}