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{
"id": "mp-759360",
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"structure_string": "Li4 Bi4 P16 O48\n1.0\n8.113942 0.000000 0.000000\n0.000000 9.943782 0.000000\n0.000000 0.000000 13.505928\nLi Bi P O\n4 4 16 48\ndirect\n0.558307 0.250000 0.000000 Li\n0.441693 0.750000 0.000000 Li\n0.058307 0.250000 0.500000 Li\n0.941693 0.750000 0.500000 Li\n0.986916 0.750000 0.000000 Bi\n0.013084 0.250000 0.000000 Bi\n0.513084 0.250000 0.500000 Bi\n0.486916 0.750000 0.500000 Bi\n0.185036 0.515960 0.150835 P\n0.814964 0.015960 0.150835 P\n0.561869 0.510549 0.142627 P\n0.438131 0.010549 0.142627 P\n0.061869 0.510549 0.357373 P\n0.938131 0.010549 0.357373 P\n0.314964 0.015960 0.349165 P\n0.685036 0.515960 0.349165 P\n0.314964 0.484040 0.650835 P\n0.685036 0.984040 0.650835 P\n0.061869 0.989451 0.642627 P\n0.938131 0.489451 0.642627 P\n0.438131 0.489451 0.857373 P\n0.561869 0.989451 0.857373 P\n0.185036 0.984040 0.849165 P\n0.814964 0.484040 0.849165 P\n0.178115 0.627301 0.071781 O\n0.821885 0.127301 0.071781 O\n0.575261 0.623548 0.070472 O\n0.424739 0.123548 0.070472 O\n0.089632 0.390204 0.124585 O\n0.910368 0.890204 0.124585 O\n0.357678 0.878690 0.126658 O\n0.642322 0.378690 0.126658 O\n0.368515 0.478935 0.171963 O\n0.631485 0.978935 0.171963 O\n0.115509 0.578751 0.249721 O\n0.884491 0.078751 0.249721 O\n0.384491 0.078751 0.250279 O\n0.615509 0.578751 0.250279 O\n0.131485 0.978935 0.328037 O\n0.868515 0.478935 0.328037 O\n0.142322 0.378690 0.373342 O\n0.857678 0.878690 0.373342 O\n0.589632 0.390204 0.375415 O\n0.410368 0.890204 0.375415 O\n0.075261 0.623548 0.429528 O\n0.924739 0.123548 0.429528 O\n0.678115 0.627301 0.428219 O\n0.321885 0.127301 0.428219 O\n0.321885 0.372699 0.571781 O\n0.678115 0.872699 0.571781 O\n0.075261 0.876452 0.570472 O\n0.924739 0.376452 0.570472 O\n0.410368 0.609796 0.624585 O\n0.589632 0.109796 0.624585 O\n0.142322 0.121310 0.626658 O\n0.857678 0.621310 0.626658 O\n0.131485 0.521065 0.671963 O\n0.868515 0.021065 0.671963 O\n0.384491 0.421249 0.749721 O\n0.615509 0.921249 0.749721 O\n0.115509 0.921249 0.750279 O\n0.884491 0.421249 0.750279 O\n0.368515 0.021065 0.828037 O\n0.631485 0.521065 0.828037 O\n0.357678 0.621310 0.873342 O\n0.642322 0.121310 0.873342 O\n0.089632 0.109796 0.875415 O\n0.910368 0.609796 0.875415 O\n0.424739 0.376452 0.929528 O\n0.575261 0.876452 0.929528 O\n0.178115 0.872699 0.928219 O\n0.821885 0.372699 0.928219 O\n",
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"formula_full": "Li4 Bi4 P16 O48",
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{
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"created_at": "2022-09-04T14:45:42.939074Z",
"structure_string": "Ag8 Te4\n1.0\n14.019176 0.414772 8.191274\n4.998201 13.270844 8.302850\n6.409570 5.034730 54.395364\nAg Te\n8 4\ndirect\n0.699808 0.500069 0.124978 Ag\n0.502698 0.302756 0.375006 Ag\n0.750014 0.749916 0.187531 Ag\n0.697286 0.497362 0.374968 Ag\n0.300989 0.499891 0.625045 Ag\n0.698968 0.499987 0.625033 Ag\n0.517069 0.683181 0.874961 Ag\n0.683214 0.517011 0.874961 Ag\n0.000103 0.000019 0.999918 Te\n0.999891 0.999880 0.250085 Te\n0.000114 0.000089 0.499932 Te\n0.999846 0.999837 0.750082 Te\n",
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"volume": 8952.700396153657,
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"formula_full": "Ag8 Te4",
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"energy": -8.98729825,
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{
"id": "mp-1028922",
"created_at": "2022-09-04T14:45:54.914333Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n1.646546 -2.851901 0.000000\n1.646546 2.851901 0.000000\n0.000000 0.000000 37.587990\nMo W Se S\n1 3 6 2\ndirect\n0.666667 0.333333 0.281807 Mo\n0.333333 0.666667 0.093937 W\n0.333333 0.666667 0.469627 W\n0.666667 0.333333 0.657556 W\n0.333333 0.666667 0.702611 Se\n0.666667 0.333333 0.048859 Se\n0.666667 0.333333 0.424575 Se\n0.666667 0.333333 0.139001 Se\n0.666667 0.333333 0.514696 Se\n0.333333 0.666667 0.612480 Se\n0.333333 0.666667 0.322605 S\n0.333333 0.666667 0.240993 S\n",
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"elements": [
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},
{
"id": "mp-1219513",
"created_at": "2022-09-04T14:45:52.672904Z",
"structure_string": "Sb6 As2 S12\n1.0\n3.799888 0.000000 0.000000\n0.000000 11.152139 0.000000\n0.000000 0.000000 12.036824\nSb As S\n6 2 12\ndirect\n0.500000 0.584637 0.463122 Sb\n0.500000 0.415363 0.963122 Sb\n0.500000 0.214510 0.639610 Sb\n0.500000 0.785490 0.139610 Sb\n0.000000 0.277991 0.357259 Sb\n0.000000 0.722009 0.857259 Sb\n0.000000 0.931107 0.548433 As\n0.000000 0.068893 0.048433 As\n0.000000 0.369157 0.545517 S\n0.000000 0.630843 0.045517 S\n0.500000 0.116688 0.454531 S\n0.500000 0.883312 0.954531 S\n0.500000 0.816164 0.616741 S\n0.500000 0.183836 0.116741 S\n0.000000 0.699541 0.373177 S\n0.000000 0.300459 0.873177 S\n0.000000 0.053929 0.701503 S\n0.000000 0.946071 0.201503 S\n0.500000 0.436851 0.300106 S\n0.500000 0.563149 0.800106 S\n",
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"spacegroup": 26
},
{
"id": "mp-5942",
"created_at": "2022-09-04T14:45:31.439105Z",
"structure_string": "Na4 As4 S8\n1.0\n11.696526 0.000000 0.000000\n0.000000 5.655935 0.000000\n0.000000 0.050049 5.972533\nNa As S\n4 4 8\ndirect\n0.374662 0.238396 0.508073 Na\n0.625338 0.761604 0.491927 Na\n0.125338 0.738396 0.508073 Na\n0.874662 0.261604 0.491927 Na\n0.645418 0.239301 0.934786 As\n0.145418 0.260699 0.065214 As\n0.354582 0.760699 0.065214 As\n0.854582 0.739301 0.934786 As\n0.839564 0.326765 0.997910 S\n0.660436 0.826765 0.997910 S\n0.339564 0.173235 0.002090 S\n0.160436 0.673235 0.002090 S\n0.874122 0.761392 0.568855 S\n0.374122 0.738608 0.431145 S\n0.125878 0.238608 0.431145 S\n0.625878 0.261392 0.568855 S\n",
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"density": 2.724050376725762,
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"volume": 395.1116710524561,
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"formula_full": "Na4 As4 S8",
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{
"id": "mp-859101",
"created_at": "2022-09-04T14:45:43.567219Z",
"structure_string": "Li6 Mn6 P6 O24\n1.0\n4.298796 -7.445733 0.000000\n4.298796 7.445733 0.000000\n0.000000 0.000000 7.489120\nLi Mn P O\n6 6 6 24\ndirect\n0.016232 0.679566 0.413910 Li\n0.320434 0.336665 0.413910 Li\n0.663335 0.983768 0.413910 Li\n0.336665 0.016232 0.913910 Li\n0.679566 0.663335 0.913910 Li\n0.983768 0.320434 0.913910 Li\n0.333333 0.666667 0.274543 Mn\n0.333333 0.666667 0.698726 Mn\n0.000000 0.000000 0.193440 Mn\n0.000000 0.000000 0.693440 Mn\n0.666667 0.333333 0.774543 Mn\n0.666667 0.333333 0.198726 Mn\n0.033605 0.684693 0.000222 P\n0.315307 0.348912 0.000222 P\n0.651088 0.966395 0.000222 P\n0.348912 0.033605 0.500222 P\n0.684693 0.651088 0.500222 P\n0.966395 0.315307 0.500222 P\n0.138550 0.931111 0.493462 O\n0.136228 0.727547 0.179865 O\n0.173201 0.750983 0.847105 O\n0.107722 0.520348 0.488169 O\n0.412626 0.892278 0.488169 O\n0.068889 0.207439 0.493462 O\n0.249017 0.422218 0.847105 O\n0.272453 0.408681 0.179865 O\n0.207439 0.138550 0.993462 O\n0.591319 0.863772 0.179865 O\n0.577782 0.826799 0.847105 O\n0.479652 0.587374 0.488169 O\n0.520348 0.412626 0.988169 O\n0.422218 0.173201 0.347105 O\n0.408681 0.136228 0.679865 O\n0.792561 0.861450 0.493462 O\n0.727547 0.591319 0.679865 O\n0.750983 0.577782 0.347105 O\n0.931111 0.792561 0.993462 O\n0.587374 0.107722 0.988169 O\n0.892278 0.479652 0.988169 O\n0.826799 0.249017 0.347105 O\n0.863772 0.272453 0.679865 O\n0.861450 0.068889 0.993462 O\n",
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"formula_full": "Li6 Mn6 P6 O24",
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{
"id": "mp-760331",
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"structure_string": "Li16 Co2 O8 F4\n1.0\n2.836287 -4.846501 0.000000\n2.836287 4.846501 0.000000\n0.000000 0.000000 10.846892\nLi Co O F\n16 2 8 4\ndirect\n0.188424 0.188424 0.273239 Li\n0.097691 0.097691 0.628093 Li\n0.902309 0.902309 0.128093 Li\n0.811576 0.811576 0.773239 Li\n0.829866 0.154705 0.903483 Li\n0.845295 0.170134 0.403483 Li\n0.502514 0.806861 0.263893 Li\n0.505640 0.878347 0.637506 Li\n0.494360 0.121653 0.137506 Li\n0.193139 0.497486 0.763893 Li\n0.497486 0.193139 0.763893 Li\n0.121653 0.494360 0.137506 Li\n0.170134 0.845295 0.403483 Li\n0.154705 0.829866 0.903483 Li\n0.878347 0.505640 0.637506 Li\n0.806861 0.502514 0.263893 Li\n0.528317 0.528317 0.003863 Co\n0.471683 0.471683 0.503863 Co\n0.162838 0.162838 0.451486 O\n0.837162 0.837162 0.951486 O\n0.833572 0.171671 0.719130 O\n0.513609 0.513609 0.681276 O\n0.486391 0.486391 0.181276 O\n0.828329 0.166428 0.219130 O\n0.166428 0.828329 0.219130 O\n0.171671 0.833572 0.719130 O\n0.507894 0.843626 0.449867 F\n0.156374 0.492106 0.949867 F\n0.492106 0.156374 0.949867 F\n0.843626 0.507894 0.449867 F\n",
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{
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"structure_string": "Ce3 Se6\n1.0\n4.352942 -7.539516 0.000000\n4.352942 7.539516 0.000000\n0.000000 0.000000 9.551121\nCe Se\n3 6\ndirect\n0.500000 0.500000 0.833333 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.166667 Ce\n0.231563 0.768437 0.333333 Se\n0.231563 0.463125 0.000000 Se\n0.536875 0.768437 0.666667 Se\n0.768437 0.231563 0.333333 Se\n0.768437 0.536875 0.000000 Se\n0.463125 0.231563 0.666667 Se\n",
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{
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{
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{
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}