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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
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{
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"structure_string": "K2 Li2 Sn2 O4\n1.0\n5.656887 -0.019755 3.912280\n4.672638 3.188608 3.912280\n-0.211811 -0.064979 9.726802\nK Li Sn O\n2 2 2 4\ndirect\n0.487193 0.487191 0.716108 K\n0.512809 0.512807 0.283892 K\n0.239200 0.239199 0.423181 Li\n0.760802 0.760800 0.576818 Li\n0.188660 0.188659 0.850592 Sn\n0.811342 0.811340 0.149408 Sn\n0.833316 0.833314 0.342371 O\n0.186144 0.186143 0.269178 O\n0.813858 0.813855 0.730822 O\n0.166686 0.166685 0.657628 O\n",
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"volume_molar": 10.794979049348076,
"formula_full": "K2 Li2 Sn2 O4",
"formula_reduced": "KLiSnO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
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{
"id": "jvasp-24955",
"created_at": "2022-09-04T14:38:31.980058Z",
"updated_at": "2022-09-04T14:38:31.980093Z",
"structure_string": "K2 Li2 Si4 O10\n1.0\n0.000000 5.996842 0.005456\n4.851216 0.000000 0.000000\n0.000000 -0.493190 -8.176626\nK Li Si O\n2 2 4 10\ndirect\n0.031906 0.309970 0.686178 K\n0.968094 0.809971 0.313822 K\n0.128498 0.298773 0.094226 Li\n0.871502 0.798773 0.905774 Li\n0.366580 0.782400 0.937617 Si\n0.558629 0.864522 0.606219 Si\n0.441371 0.364521 0.393781 Si\n0.633419 0.282400 0.062383 Si\n0.480458 0.697207 0.435717 O\n0.403632 0.109126 -0.002034 O\n0.364212 0.787924 0.735989 O\n0.635788 0.287924 0.264011 O\n0.143233 0.653341 0.998473 O\n0.596368 0.609127 0.002033 O\n0.809758 0.803439 0.671963 O\n0.190242 0.303438 0.328037 O\n0.519542 0.197206 0.564283 O\n0.856767 0.153341 0.001527 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.5440248388182676,
"density_atomic": 0.07567440005661087,
"volume": 237.8611523386307,
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"formula_full": "K2 Li2 Si4 O10",
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"formula_anonymous": "ABC2D5",
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},
{
"id": "jvasp-58322",
"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",
"nsites": 14,
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],
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"density": 2.3933468080357745,
"density_atomic": 0.07099940225520059,
"volume": 197.18475867836653,
"volume_molar": 8.481959803483964,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
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"spacegroup": 173
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{
"id": "jvasp-58324",
"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",
"nsites": 14,
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"formula_full": "K2 Li2 S2 O8",
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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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"density_atomic": 0.07103411422005873,
"volume": 197.08840116776815,
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"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 159
},
{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"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",
"nsites": 18,
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{
"id": "jvasp-31311",
"created_at": "2022-09-04T14:38:33.239248Z",
"updated_at": "2022-09-04T14:38:33.239273Z",
"structure_string": "K2 Li14 Pb3 O14\n1.0\n6.547872 -0.000000 -3.156526\n-1.829061 6.785737 -3.794189\n0.024837 0.015224 8.421211\nK Li Pb O\n2 14 3 14\ndirect\n0.242375 0.500000 -0.000000 K\n0.757625 0.500000 -0.000000 K\n0.139370 0.709549 0.733094 Li\n0.860630 0.976456 0.266906 Li\n0.593724 0.023544 0.733093 Li\n0.500000 0.841347 -0.000000 Li\n0.500000 0.158653 -0.000000 Li\n0.769607 0.414319 0.539213 Li\n0.230393 0.585680 0.460787 Li\n0.230393 0.875106 0.460787 Li\n0.769607 0.124894 0.539213 Li\n0.593724 0.709549 0.733093 Li\n0.860630 0.290451 0.266906 Li\n0.406276 0.976456 0.266906 Li\n0.139370 0.023544 0.733094 Li\n0.406276 0.290451 0.266906 Li\n0.727144 0.727144 0.454288 Pb\n0.000000 0.000000 0.000000 Pb\n0.272857 0.272856 0.545712 Pb\n0.045367 0.751521 0.503042 O\n0.542325 0.248479 0.496958 O\n0.954633 0.248479 0.496957 O\n0.457675 0.751521 0.503042 O\n0.702404 0.000000 -0.000000 O\n0.297596 0.000000 -0.000000 O\n0.873357 0.682234 0.746713 O\n0.126643 0.317766 0.253286 O\n0.126644 0.935521 0.253287 O\n0.873357 0.064480 0.746713 O\n0.626042 0.408908 0.252084 O\n0.373959 0.591092 0.747915 O\n0.373958 0.156823 0.747915 O\n0.626042 0.843177 0.252084 O\n",
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],
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"density_atomic": 0.08796000415273676,
"volume": 375.17051434760816,
"volume_molar": 6.84645347394817,
"formula_full": "K2 Li14 Pb3 O14",
"formula_reduced": "K2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
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{
"id": "jvasp-35154",
"created_at": "2022-09-04T14:38:14.943291Z",
"updated_at": "2022-09-04T14:38:14.943302Z",
"structure_string": "K6 Li2 P4 O14\n1.0\n-3.028928 -4.664663 0.000000\n-3.028928 4.664663 0.000000\n0.000000 0.000000 -13.327163\nK Li P O\n6 2 4 14\ndirect\n0.864344 0.864344 0.500000 K\n0.135657 0.135657 0.000000 K\n0.535307 0.221655 0.376491 K\n0.221655 0.535307 0.623509 K\n0.464694 0.778346 0.876491 K\n0.778346 0.464694 0.123509 K\n0.011333 0.988668 0.250000 Li\n0.988668 0.011333 0.750000 Li\n0.443587 0.826530 0.154799 P\n0.826530 0.443587 0.845202 P\n0.173470 0.556414 0.345201 P\n0.556414 0.173470 0.654798 P\n0.745369 0.943295 0.146983 O\n0.303905 0.657019 0.065017 O\n0.657019 0.303905 0.934983 O\n0.696096 0.342982 0.565017 O\n0.342982 0.696096 0.434983 O\n0.943295 0.745369 0.853016 O\n0.964330 0.659443 0.318297 O\n0.056705 0.254632 0.353016 O\n0.340558 0.035670 0.181702 O\n0.035670 0.340558 0.818297 O\n0.659443 0.964330 0.681702 O\n0.379160 0.620841 0.250000 O\n0.254632 0.056705 0.646983 O\n0.620841 0.379160 0.750000 O\n",
"nsites": 26,
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],
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"formula_full": "K6 Li2 P4 O14",
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{
"id": "jvasp-57512",
"created_at": "2022-09-04T14:37:19.999659Z",
"updated_at": "2022-09-04T14:37:19.999687Z",
"structure_string": "K4 Li4 O4\n1.0\n5.340002 0.000947 -0.000000\n-1.540453 5.112986 0.000000\n0.000000 -0.000000 6.406366\nK Li O\n4 4 4\ndirect\n0.178939 0.821062 0.000000 K\n0.821061 0.178939 0.000000 K\n0.678939 0.321062 0.500000 K\n0.321062 0.678939 0.500000 K\n0.125342 0.125342 0.373479 Li\n0.625342 0.625343 0.126521 Li\n0.374658 0.374659 0.873479 Li\n0.874659 0.874659 0.626522 Li\n0.330188 0.330188 0.166553 O\n0.169813 0.169813 0.666553 O\n0.669813 0.669814 0.833448 O\n0.830188 0.830188 0.333447 O\n",
"nsites": 12,
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],
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"density": 2.3557044596584933,
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"volume": 174.92463380743763,
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"formula_full": "K4 Li4 O4",
"formula_reduced": "KLiO",
"formula_anonymous": "ABC",
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"spacegroup": 64
},
{
"id": "jvasp-57540",
"created_at": "2022-09-04T14:37:09.484769Z",
"updated_at": "2022-09-04T14:37:09.484793Z",
"structure_string": "K6 Na4 Li2 Te2 O12\n1.0\n6.806181 0.005823 -0.273505\n-0.379433 7.334741 -1.847574\n0.005438 -0.020394 7.573340\nK Na Li Te O\n6 4 2 2 12\ndirect\n0.776951 0.372254 0.404651 K\n0.435673 0.011082 0.109120 K\n0.244091 0.782725 0.701352 K\n0.276951 0.404650 0.372255 K\n0.935673 0.109120 0.011083 K\n0.744091 0.701351 0.782726 K\n0.895734 0.071319 0.613028 Na\n0.395734 0.613028 0.071320 Na\n0.592730 0.857733 0.431953 Na\n0.092730 0.431953 0.857734 Na\n0.246429 0.033629 0.471898 Li\n0.746429 0.471898 0.033629 Li\n0.497456 0.242989 0.758118 Te\n-0.002544 0.758117 0.242989 Te\n0.509725 0.324412 0.031941 O\n0.598984 0.005487 0.768304 O\n0.899805 0.744243 0.481827 O\n0.221360 0.141715 0.743146 O\n0.098984 0.768304 0.005488 O\n0.721359 0.743145 0.141715 O\n0.009725 0.031941 0.324413 O\n0.495972 0.161553 0.486501 O\n0.995972 0.486501 0.161554 O\n0.272893 0.769942 0.345882 O\n0.399805 0.481826 0.744244 O\n0.772893 0.345881 0.769943 O\n",
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"formula_full": "K6 Na4 Li2 Te2 O12",
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{
"id": "jvasp-98194",
"created_at": "2022-09-04T14:36:08.865199Z",
"updated_at": "2022-09-04T14:36:08.865226Z",
"structure_string": "K4 Na4 Li8 S8 O32\n1.0\n4.932380 0.000000 0.000000\n0.000000 7.736613 0.000000\n0.000000 0.000000 18.826173\nK Na Li S O\n4 4 8 8 32\ndirect\n0.003170 0.052133 0.071818 K\n-0.003170 0.552133 0.428182 K\n0.496830 0.947867 0.571818 K\n0.503170 0.447867 0.928182 K\n0.516781 0.249012 0.725718 Na\n0.483219 0.749012 0.774282 Na\n0.983219 0.750987 0.225718 Na\n0.016781 0.250988 0.274282 Na\n0.010728 0.749363 0.908528 Li\n0.489272 0.250636 0.408528 Li\n0.961812 0.606142 0.637929 Li\n0.538188 0.393858 0.137929 Li\n0.038188 0.106142 0.862070 Li\n0.461812 0.893858 0.362070 Li\n0.989272 0.249363 0.591472 Li\n0.510728 0.750636 0.091472 Li\n0.512908 0.953430 0.942485 S\n0.012908 0.546569 0.057515 S\n0.032343 0.969354 0.708707 S\n0.532343 0.530645 0.291293 S\n0.967657 0.469354 0.791293 S\n0.487092 0.453431 0.557515 S\n0.987092 0.046569 0.442485 S\n0.467657 0.030646 0.208707 S\n0.850704 0.472654 0.718495 O\n0.230530 0.531128 0.289235 O\n0.690295 0.033583 0.425458 O\n0.149296 0.972654 0.781505 O\n0.649296 0.527345 0.218495 O\n0.730530 0.968872 0.710765 O\n0.350704 0.027346 0.281505 O\n0.769470 0.031128 0.210765 O\n0.269470 0.468872 0.789235 O\n0.634190 0.688813 0.328357 O\n0.809705 0.966417 0.925458 O\n0.309705 0.533583 0.074542 O\n0.516246 0.430908 0.479422 O\n0.016246 0.069092 0.520577 O\n0.483754 0.930908 0.020577 O\n0.983754 0.569092 0.979422 O\n0.629028 0.613983 0.579496 O\n0.129028 0.886016 0.420504 O\n0.370972 0.113983 0.920504 O\n0.190295 0.466417 0.574542 O\n0.870972 0.386017 0.079496 O\n0.102485 0.198921 0.404684 O\n0.397515 0.801079 0.904684 O\n0.897515 0.698921 0.095315 O\n0.630615 0.374584 0.330100 O\n0.130615 0.125415 0.669900 O\n0.369385 0.874584 0.169900 O\n0.865810 0.311187 0.828357 O\n0.365810 0.188813 0.171643 O\n0.134190 0.811187 0.671642 O\n0.602485 0.301079 0.595315 O\n0.869385 0.625415 0.830100 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"K",
"Na",
"Li",
"S",
"O"
],
"chemical_system": "K-Li-Na-O-S",
"density": 2.478727544982546,
"density_atomic": 0.07795044171256747,
"volume": 718.4051657653591,
"volume_molar": 7.7256018409823675,
"formula_full": "K4 Na4 Li8 S8 O32",
"formula_reduced": "KNaLi2(SO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.8714546428571428,
"spacegroup": 19
}
]
}