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"structure_string": "Na9 Li9 C9 O27\n1.0\n7.203083 -12.476105 0.000000\n7.203083 12.476104 -0.000000\n-0.000000 -0.000000 3.274060\nNa Li C O\n9 9 9 27\ndirect\n0.094324 0.870216 0.500000 Na\n0.426815 0.547445 0.500000 Na\n0.805775 0.549042 0.500000 Na\n0.775891 0.905676 0.500000 Na\n0.129783 0.224108 0.500000 Na\n0.452554 0.879369 0.500000 Na\n0.450957 0.256732 0.500000 Na\n0.743267 0.194224 0.500000 Na\n0.120631 0.573185 0.500000 Na\n0.579535 0.475287 0.000000 Li\n0.179606 0.430922 0.000000 Li\n0.875678 0.772589 0.000000 Li\n0.569077 0.748683 0.000000 Li\n0.524713 0.104248 0.000000 Li\n0.895751 0.420464 0.000000 Li\n0.896911 0.124321 0.000000 Li\n0.251316 0.820394 0.000000 Li\n0.227411 0.103088 0.000000 Li\n0.654759 0.991311 0.000000 C\n0.666667 0.333333 0.000000 C\n0.336551 0.345240 0.000000 C\n0.681828 0.668232 0.500000 C\n0.333333 0.666667 0.000000 C\n0.986403 0.318172 0.500000 C\n0.008689 0.663448 0.000000 C\n0.331768 0.013596 0.500000 C\n0.000000 0.000000 0.000000 C\n0.088453 0.091732 0.000000 O\n0.087954 0.389020 0.500000 O\n0.433376 0.084385 0.500000 O\n0.419562 0.659860 0.000000 O\n0.651008 0.566624 0.500000 O\n0.249580 0.351233 0.000000 O\n0.747502 0.077909 0.000000 O\n0.908267 0.996719 0.000000 O\n0.956619 0.216789 0.500000 O\n0.761845 0.417093 0.000000 O\n0.003280 0.911547 0.000000 O\n0.330407 0.252498 0.000000 O\n0.655248 0.238154 0.000000 O\n0.648767 0.898347 0.000000 O\n0.610980 0.698933 0.500000 O\n0.301066 0.912046 0.500000 O\n0.915615 0.348991 0.500000 O\n0.783211 0.739831 0.500000 O\n0.260169 0.043380 0.500000 O\n0.922091 0.669593 0.000000 O\n0.002864 0.570471 0.000000 O\n0.340139 0.759702 0.000000 O\n0.582906 0.344752 0.000000 O\n0.101652 0.750419 0.000000 O\n0.567608 0.997136 0.000000 O\n0.240298 0.580437 0.000000 O\n0.429528 0.432392 0.000000 O\n",
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{
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{
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"structure_string": "Li4 Co4 P4 O16\n1.0\n5.336577 0.012699 0.575717\n-1.257972 5.889238 -1.489277\n-0.035470 -0.023436 9.081281\nLi Co P O\n4 4 4 16\ndirect\n0.636028 0.006646 0.240885 Li\n0.363979 0.993337 0.759110 Li\n0.189555 0.156466 0.423581 Li\n0.810466 0.843540 0.576410 Li\n0.850005 0.534820 0.277993 Co\n0.149995 0.465174 0.722006 Co\n0.278285 0.340808 0.093169 Co\n0.721715 0.659194 0.906829 Co\n0.679384 0.318748 0.573307 P\n0.320617 0.681252 0.426694 P\n0.804320 0.191116 0.948706 P\n0.195676 0.808886 0.051295 P\n0.800021 0.562270 0.668175 O\n0.199976 0.437733 0.331823 O\n0.404811 0.233073 0.636809 O\n0.595194 0.766922 0.363195 O\n0.872479 0.172943 0.587472 O\n0.127530 0.827063 0.412528 O\n0.693736 0.950189 0.859266 O\n0.608401 0.335175 0.936530 O\n0.151932 0.792065 0.881382 O\n0.848062 0.207933 0.118619 O\n0.077491 0.288013 0.886408 O\n0.922507 0.711991 0.113595 O\n0.654667 0.316943 0.404991 O\n0.391598 0.664832 0.063473 O\n0.306259 0.049815 0.140734 O\n0.345324 0.683050 0.595009 O\n",
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"structure_string": "Co1 Sn3 P4 O16\n1.0\n4.984988 0.047410 -0.000236\n-0.022200 10.009237 -0.000167\n0.000526 0.000098 6.050121\nCo Sn P O\n1 3 4 16\ndirect\n0.105540 0.723050 0.750011 Co\n0.405871 0.217066 0.749982 Sn\n0.599363 0.783235 0.250001 Sn\n0.903348 0.288306 0.249942 Sn\n0.168031 0.599685 0.250023 P\n0.383589 0.072027 0.250000 P\n0.631402 0.911938 0.749999 P\n0.815142 0.417308 0.749980 P\n0.638984 0.355850 0.555808 O\n0.859624 0.625391 0.249996 O\n0.685471 0.079608 0.250016 O\n0.782298 0.843679 0.951910 O\n0.782291 0.843678 0.548080 O\n0.691119 0.065464 0.749997 O\n0.297094 0.923899 0.250009 O\n0.094770 0.349114 0.750049 O\n0.248918 0.144911 0.045561 O\n0.332275 0.888997 0.750015 O\n0.638878 0.355884 0.944130 O\n0.308390 0.673444 0.451192 O\n0.308414 0.673422 0.048833 O\n0.226061 0.452546 0.250069 O\n0.248879 0.144928 0.454421 O\n0.844261 0.566573 0.749963 O\n",
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"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
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},
{
"id": "jvasp-48213",
"created_at": "2022-09-04T14:38:30.165409Z",
"updated_at": "2022-09-04T14:38:30.165424Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n0.000000 4.901239 0.011697\n8.474949 0.000000 0.000000\n0.000000 -2.346289 -6.683319\nLi P W O\n2 4 2 14\ndirect\n0.816925 0.390689 0.333486 Li\n0.183075 0.890689 0.666513 Li\n0.197685 0.960597 0.076496 P\n0.408162 0.568854 0.534042 P\n0.591838 0.068854 0.465957 P\n0.802315 0.460597 0.923503 P\n0.786510 0.745573 0.272996 W\n0.213490 0.245573 0.727003 W\n0.129205 0.043112 0.874093 O\n0.071428 0.429592 0.868605 O\n0.791790 0.213122 0.505697 O\n0.759318 0.913222 0.486807 O\n0.392992 0.064339 0.592705 O\n0.607007 0.564340 0.407295 O\n0.870795 0.543112 0.125906 O\n0.208210 0.713122 0.494303 O\n0.928572 0.929592 0.131395 O\n0.605135 0.589058 0.764799 O\n0.394865 0.089058 0.235200 O\n0.374690 0.810997 0.081962 O\n0.240682 0.413221 0.513193 O\n0.625310 0.310997 0.918038 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.366894253973889,
"density_atomic": 0.07931430720702191,
"volume": 277.37744644956416,
"volume_molar": 7.592754664402899,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.267279590909091,
"spacegroup": 4
}
]
}