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{
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"structure_string": "Li4 Ti3 Nb2 V3 O16\n1.0\n2.997739 5.242882 0.000000\n-2.997739 5.242882 0.000000\n0.000000 0.001071 9.842994\nLi Ti Nb V O\n4 3 2 3 16\ndirect\n0.663988 0.663988 0.901254 Li\n0.000385 0.000385 0.989484 Li\n0.003960 0.003960 0.493264 Li\n0.332862 0.332862 0.401440 Li\n0.835856 0.345447 0.219675 Ti\n0.345447 0.835856 0.219675 Ti\n0.175713 0.175713 0.728297 Ti\n0.670526 0.670526 0.496422 Nb\n0.341286 0.341286 0.994229 Nb\n0.827249 0.827249 0.211589 V\n0.652289 0.178699 0.711556 V\n0.178699 0.652289 0.711556 V\n0.833400 0.340743 0.592567 O\n0.519311 0.519311 0.337304 O\n0.655290 0.655290 0.104482 O\n0.004125 0.004125 0.305690 O\n0.005903 0.005903 0.802291 O\n0.340743 0.833400 0.592567 O\n0.962768 0.505145 0.342340 O\n0.505145 0.962768 0.342340 O\n0.166359 0.166359 0.097603 O\n0.834208 0.834208 0.588699 O\n0.472179 0.034103 0.843222 O\n0.034103 0.472179 0.843222 O\n0.319062 0.319062 0.602551 O\n0.667232 0.173203 0.092958 O\n0.479236 0.479236 0.848599 O\n0.173203 0.667232 0.092958 O\n",
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{
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"structure_string": "Li4 Ti2 Nb3 V3 O16\n1.0\n2.992397 5.267004 0.000000\n-2.992397 5.267004 0.000000\n0.000000 0.073676 9.828073\nLi Ti Nb V O\n4 2 3 3 16\ndirect\n0.667634 0.667634 0.901244 Li\n0.004335 0.004335 0.991095 Li\n0.008400 0.008400 0.492007 Li\n0.334798 0.334798 0.388482 Li\n0.657739 0.657739 0.495178 Ti\n0.327190 0.327190 0.000320 Ti\n0.826678 0.826678 0.223015 Nb\n0.635358 0.182312 0.715820 Nb\n0.182312 0.635358 0.715820 Nb\n0.818814 0.349589 0.211661 V\n0.349589 0.818814 0.211661 V\n0.172445 0.172445 0.711648 V\n0.821365 0.340182 0.594752 O\n0.525010 0.525010 0.351161 O\n0.676622 0.676622 0.097836 O\n0.998772 0.998772 0.306451 O\n0.001199 0.001199 0.806202 O\n0.340182 0.821365 0.594752 O\n0.964829 0.523003 0.342994 O\n0.523003 0.964829 0.342994 O\n0.169499 0.169499 0.092716 O\n0.829520 0.829520 0.593097 O\n0.488505 0.040990 0.847065 O\n0.040990 0.488505 0.847065 O\n0.327768 0.327768 0.581247 O\n0.656928 0.162134 0.097233 O\n0.486952 0.486952 0.857107 O\n0.162134 0.656928 0.097233 O\n",
"nsites": 28,
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"formula_full": "Li4 Ti2 Nb3 V3 O16",
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},
{
"id": "mp-532743",
"created_at": "2022-09-04T14:39:22.177672Z",
"structure_string": "Li4 Ti8 Ni2 P8 O40\n1.0\n7.327972 0.000000 0.000000\n0.000000 7.446250 0.000000\n0.000000 0.030554 12.914138\nLi Ti Ni P O\n4 8 2 8 40\ndirect\n0.007643 0.991644 0.246501 Li\n0.492357 0.491644 0.746501 Li\n0.992357 0.008356 0.753499 Li\n0.507643 0.508356 0.253499 Li\n0.787845 0.334641 0.126540 Ti\n0.733038 0.841143 0.118286 Ti\n0.266962 0.158857 0.881714 Ti\n0.212155 0.665359 0.873460 Ti\n0.766962 0.341143 0.618286 Ti\n0.712155 0.834641 0.626540 Ti\n0.287845 0.165359 0.373460 Ti\n0.233038 0.658857 0.381714 Ti\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.376002 0.125593 0.124536 P\n0.131316 0.625890 0.128564 P\n0.868684 0.374110 0.871436 P\n0.623998 0.874407 0.875464 P\n0.368684 0.125890 0.628564 P\n0.123998 0.625593 0.624536 P\n0.876002 0.374407 0.375464 P\n0.631316 0.874110 0.371436 P\n0.253981 0.123410 0.222236 O\n0.257405 0.631488 0.223307 O\n0.841579 0.111854 0.132269 O\n0.021854 0.447813 0.124955 O\n0.652636 0.613910 0.115765 O\n0.496768 0.957000 0.124865 O\n0.498576 0.300392 0.122664 O\n0.001108 0.788601 0.129898 O\n0.250966 0.127021 0.029490 O\n0.254987 0.632467 0.029699 O\n0.745013 0.367533 0.970301 O\n0.749034 0.872979 0.970510 O\n0.998892 0.211399 0.870102 O\n0.501424 0.699608 0.877336 O\n0.503232 0.043000 0.875135 O\n0.347364 0.386090 0.884235 O\n0.978146 0.552187 0.875045 O\n0.158421 0.888146 0.867731 O\n0.742595 0.368512 0.776693 O\n0.746019 0.876590 0.777764 O\n0.242595 0.131488 0.723307 O\n0.246019 0.623410 0.722236 O\n0.847364 0.113910 0.615765 O\n0.003232 0.457000 0.624865 O\n0.658421 0.611854 0.632269 O\n0.478146 0.947813 0.624955 O\n0.498892 0.288601 0.629898 O\n0.001424 0.800392 0.622664 O\n0.245013 0.132467 0.529699 O\n0.249034 0.627021 0.529490 O\n0.750966 0.372979 0.470510 O\n0.754987 0.867533 0.470301 O\n0.998576 0.199608 0.377336 O\n0.501108 0.711399 0.370102 O\n0.521854 0.052187 0.375045 O\n0.341579 0.388146 0.367731 O\n0.996768 0.543000 0.375135 O\n0.152636 0.886090 0.384235 O\n0.753981 0.376590 0.277764 O\n0.757405 0.868512 0.276693 O\n",
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"formula_full": "Li4 Ti8 Ni2 P8 O40",
"formula_reduced": "Li2Ti4Ni(PO5)4",
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},
{
"id": "mp-731452",
"created_at": "2022-09-04T14:46:14.402560Z",
"structure_string": "Li6 Ti8 Ni1 P8 O40\n1.0\n6.453411 0.000000 0.000000\n-0.059225 10.435012 0.000000\n-0.032175 -0.175208 10.450858\nLi Ti Ni P O\n6 8 1 8 40\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.763644 0.281861 0.943631 Ti\n0.749369 0.779011 0.440658 Ti\n0.748934 0.559462 0.720764 Ti\n0.749598 0.059028 0.221174 Ti\n0.250631 0.220989 0.559342 Ti\n0.236356 0.718139 0.056369 Ti\n0.250402 0.940972 0.778826 Ti\n0.251066 0.440538 0.279236 Ti\n0.500000 0.500000 0.000000 Ni\n0.751128 0.250329 0.623880 P\n0.748874 0.750121 0.122205 P\n0.750031 0.878476 0.749815 P\n0.746294 0.378597 0.251848 P\n0.251126 0.249879 0.877795 P\n0.248872 0.749671 0.376120 P\n0.253706 0.621403 0.748152 P\n0.249969 0.121524 0.250185 P\n0.943435 0.188010 0.561052 O\n0.942506 0.690545 0.060582 O\n0.943474 0.941630 0.812155 O\n0.944458 0.442833 0.306963 O\n0.752478 0.397464 0.601157 O\n0.746214 0.897403 0.101312 O\n0.751326 0.636179 0.522993 O\n0.752917 0.137310 0.023338 O\n0.749109 0.733747 0.779405 O\n0.750997 0.222154 0.768300 O\n0.752832 0.233805 0.280772 O\n0.746605 0.719067 0.266172 O\n0.721724 0.479194 0.864077 O\n0.750369 0.977624 0.364398 O\n0.750329 0.899561 0.602854 O\n0.728585 0.399275 0.105193 O\n0.557160 0.188244 0.560570 O\n0.557635 0.688429 0.055755 O\n0.557198 0.940874 0.811523 O\n0.558210 0.439602 0.319349 O\n0.441790 0.560398 0.680651 O\n0.442802 0.059126 0.188477 O\n0.442365 0.311571 0.944245 O\n0.442840 0.811756 0.439430 O\n0.247083 0.862690 0.976662 O\n0.253786 0.102597 0.898688 O\n0.248674 0.363821 0.477007 O\n0.247168 0.766195 0.719228 O\n0.247522 0.602536 0.398843 O\n0.250891 0.266253 0.220595 O\n0.271415 0.600725 0.894807 O\n0.249671 0.100439 0.397146 O\n0.253395 0.280933 0.733828 O\n0.249631 0.022376 0.635602 O\n0.249003 0.777846 0.231700 O\n0.278276 0.520806 0.135923 O\n0.055542 0.557167 0.693037 O\n0.056526 0.058370 0.187845 O\n0.057494 0.309455 0.939418 O\n0.056565 0.811990 0.438948 O\n",
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"formula_full": "Li6 Ti8 Ni1 P8 O40",
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{
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"structure_string": "Li2 Ti4 Ni2 P4 O20\n1.0\n7.420633 0.000000 0.000000\n0.000000 6.515768 0.000000\n0.000000 0.002362 7.405289\nLi Ti Ni P O\n2 4 2 4 20\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.782210 0.245814 0.661095 Ti\n0.717790 0.245814 0.161095 Ti\n0.282210 0.754186 0.838905 Ti\n0.217790 0.754186 0.338905 Ti\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.368790 0.250513 0.874418 P\n0.131210 0.250513 0.374418 P\n0.868790 0.749487 0.625582 P\n0.631210 0.749487 0.125582 P\n0.248171 0.056946 0.869350 O\n0.251829 0.056946 0.369350 O\n0.847559 0.259903 0.896608 O\n0.015986 0.250795 0.545935 O\n0.652441 0.259903 0.396608 O\n0.484014 0.250795 0.045935 O\n0.491499 0.260490 0.703069 O\n0.008501 0.260490 0.203069 O\n0.241823 0.439976 0.873038 O\n0.258177 0.439976 0.373038 O\n0.741823 0.560024 0.626962 O\n0.758177 0.560024 0.126962 O\n0.991499 0.739510 0.796931 O\n0.508501 0.739510 0.296931 O\n0.515986 0.749205 0.954065 O\n0.347559 0.740097 0.603392 O\n0.984014 0.749205 0.454065 O\n0.152441 0.740097 0.103392 O\n0.748171 0.943054 0.630650 O\n0.751829 0.943054 0.130650 O\n",
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},
{
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{
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