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{
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{
"id": "mp-1366800",
"created_at": "2022-09-04T14:39:22.378812Z",
"structure_string": "Pr2 Mn4 O12\n1.0\n5.357021 0.000000 0.000000\n0.000000 5.416702 0.000000\n0.000000 0.000000 7.617481\nPr Mn O\n2 4 12\ndirect\n0.013302 0.710504 0.000000 Pr\n0.513302 0.289496 0.500000 Pr\n0.009836 0.237707 0.753444 Mn\n0.009836 0.237707 0.246556 Mn\n0.509836 0.762293 0.253444 Mn\n0.509836 0.762293 0.746556 Mn\n0.058709 0.251824 0.500000 O\n0.216012 0.962611 0.781232 O\n0.216012 0.962611 0.218768 O\n0.275872 0.471974 0.219311 O\n0.275872 0.471974 0.780689 O\n0.434812 0.746073 0.500000 O\n0.558709 0.748176 0.000000 O\n0.716012 0.037389 0.718768 O\n0.716012 0.037389 0.281232 O\n0.775872 0.528026 0.719311 O\n0.775872 0.528026 0.280689 O\n0.934812 0.253927 0.000000 O\n",
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{
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"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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"volume": 704.6717112713577,
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"formula_full": "Li4 Ti8 Ni2 P8 O40",
"formula_reduced": "Li2Ti4Ni(PO5)4",
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{
"id": "mp-777337",
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"structure_string": "V6 O6 F12\n1.0\n5.186032 0.000000 0.000000\n-0.064516 5.387307 0.000000\n-2.537826 -2.229280 11.363828\nV O F\n6 6 12\ndirect\n0.855277 0.811419 0.664064 V\n0.696367 0.688816 0.335867 V\n0.517831 0.527036 0.997438 V\n0.355977 0.346686 0.668988 V\n0.029845 0.024441 0.004116 V\n0.184532 0.195095 0.330419 V\n0.959432 0.887975 0.356836 O\n0.617355 0.551799 0.689876 O\n0.294447 0.222925 0.028916 O\n0.692732 0.770218 0.976085 O\n0.359791 0.438223 0.309160 O\n0.094451 0.610769 0.641939 O\n0.976963 0.090625 0.167122 F\n0.885247 0.387108 0.371876 F\n0.675198 0.557669 0.166895 F\n0.652144 0.756440 0.499752 F\n0.762044 0.264356 0.961325 F\n0.427999 0.929877 0.292780 F\n0.215002 0.718212 0.035302 F\n0.557062 0.048446 0.696100 F\n0.341982 0.228259 0.499329 F\n0.315757 0.413517 0.833897 F\n0.027565 0.115939 0.637646 F\n0.005001 0.914149 0.834274 F\n",
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{
"id": "mp-540424",
"created_at": "2022-09-04T14:39:22.215362Z",
"structure_string": "Cr2 P8 O24\n1.0\n13.567851 0.000000 0.000000\n0.000000 5.158520 0.000000\n0.000000 1.359805 7.317399\nCr P O\n2 8 24\ndirect\n0.232622 0.996616 0.507036 Cr\n0.732622 0.003384 0.492964 Cr\n0.177881 0.632984 0.898613 P\n0.677881 0.367016 0.101387 P\n0.595949 0.524370 0.433319 P\n0.095949 0.475630 0.566681 P\n0.870352 0.480832 0.557279 P\n0.370352 0.519168 0.442721 P\n0.321565 0.281354 0.130212 P\n0.821565 0.718646 0.869788 P\n0.611506 0.796858 0.475960 O\n0.111506 0.203142 0.524040 O\n0.351545 0.528624 0.229120 O\n0.851545 0.471376 0.770880 O\n0.268578 0.426710 0.949252 O\n0.768578 0.573290 0.050748 O\n0.108550 0.466447 0.780956 O\n0.608550 0.533553 0.219044 O\n0.483698 0.446920 0.472413 O\n0.983698 0.553080 0.527587 O\n0.625953 0.303593 0.942160 O\n0.125953 0.696407 0.057840 O\n0.655343 0.303996 0.542339 O\n0.155343 0.696004 0.457661 O\n0.313933 0.294666 0.555882 O\n0.813933 0.705334 0.444118 O\n0.854657 0.210701 0.511575 O\n0.354657 0.789299 0.488425 O\n0.726022 0.141808 0.237149 O\n0.226022 0.858192 0.762851 O\n0.240555 0.127119 0.251783 O\n0.740555 0.872881 0.748217 O\n0.407346 0.125450 0.089870 O\n0.907346 0.874550 0.910130 O\n",
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{
"id": "mp-778794",
"created_at": "2022-09-04T14:39:22.232652Z",
"structure_string": "V3 Cr2 Sb3 O16\n1.0\n3.029810 5.317124 0.000000\n-3.029810 5.317124 0.000000\n0.000000 0.004716 9.114697\nV Cr Sb O\n3 2 3 16\ndirect\n0.831681 0.831681 0.792219 V\n0.166722 0.666317 0.291329 V\n0.666317 0.166722 0.291329 V\n0.669497 0.669497 0.510668 Cr\n0.338764 0.338764 0.015386 Cr\n0.334046 0.830993 0.788653 Sb\n0.830993 0.334046 0.788653 Sb\n0.168618 0.168618 0.290351 Sb\n0.335384 0.829521 0.393439 O\n0.521284 0.521284 0.653573 O\n0.659585 0.659585 0.909025 O\n0.002820 0.002820 0.678441 O\n0.999477 0.999477 0.187624 O\n0.829521 0.335384 0.393439 O\n0.519718 0.951269 0.661907 O\n0.951269 0.519718 0.661907 O\n0.166006 0.166006 0.900548 O\n0.834558 0.834558 0.388983 O\n0.051548 0.480727 0.161092 O\n0.480727 0.051548 0.161092 O\n0.333232 0.333232 0.404525 O\n0.169911 0.666726 0.894208 O\n0.471206 0.471206 0.171640 O\n0.666726 0.169911 0.894208 O\n",
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{
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"structure_string": "Ca2 Ni4 O8\n1.0\n-3.104742 3.112393 4.240925\n3.104742 -3.112393 4.240925\n3.104742 3.112393 -4.240925\nCa Ni O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.889261 0.139261 0.750000 Ni\n0.110739 0.860739 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.738014 0.727781 0.010233 O\n0.232623 0.723712 0.991089 O\n0.217548 0.727781 0.489767 O\n0.232623 0.241534 0.508911 O\n0.767377 0.758466 0.491089 O\n0.767377 0.276288 0.008911 O\n0.782452 0.272219 0.510233 O\n0.261986 0.272219 0.989767 O\n",
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{
"id": "mp-760137",
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"structure_string": "Li28 V4 O16 F8\n1.0\n5.531279 0.086607 -0.086040\n2.705916 2.576379 9.179154\n-0.125408 -10.431632 -0.075177\nLi V O F\n28 4 16 8\ndirect\n0.042230 0.265073 0.937327 Li\n0.542179 0.265465 0.437532 Li\n0.292299 0.765130 0.187164 Li\n0.792001 0.765135 0.687342 Li\n0.245559 0.125433 0.729160 Li\n0.745699 0.125292 0.229368 Li\n0.495679 0.625308 0.978864 Li\n0.995551 0.625666 0.479195 Li\n0.144276 0.461781 0.905177 Li\n0.644187 0.462422 0.405463 Li\n0.394146 0.962159 0.155343 Li\n0.894080 0.962187 0.655285 Li\n0.363003 0.311652 0.652183 Li\n0.863180 0.311245 0.151833 Li\n0.612639 0.811488 0.901640 Li\n0.113305 0.811458 0.401598 Li\n0.620845 0.062642 0.845128 Li\n0.120875 0.062756 0.345262 Li\n0.870886 0.562400 0.095029 Li\n0.370340 0.562998 0.595252 Li\n0.446881 0.249947 0.071685 Li\n0.947276 0.250744 0.571854 Li\n0.696719 0.750298 0.321585 Li\n0.196538 0.750162 0.821532 Li\n0.702861 0.268530 0.809785 Li\n0.202601 0.268510 0.309857 Li\n0.952579 0.768329 0.059588 Li\n0.452190 0.768717 0.559919 Li\n0.508661 0.013150 0.493420 V\n0.758425 0.513222 0.743570 V\n0.008853 0.013008 0.993592 V\n0.258773 0.512813 0.243412 V\n0.012812 0.321115 0.764407 O\n0.512988 0.321264 0.264497 O\n0.262902 0.821224 0.014322 O\n0.762653 0.821408 0.514293 O\n0.146030 0.398677 0.073618 O\n0.645932 0.399348 0.573930 O\n0.396015 0.898995 0.323401 O\n0.895926 0.898952 0.823547 O\n0.583513 0.122251 0.679009 O\n0.083615 0.122162 0.179075 O\n0.833661 0.621649 0.928396 O\n0.333614 0.622232 0.428909 O\n0.766798 0.196403 0.973297 O\n0.266880 0.196652 0.473289 O\n0.016773 0.696293 0.223049 O\n0.516473 0.696570 0.723206 O\n0.288312 0.078048 0.900478 F\n0.788289 0.078334 0.400613 F\n0.538297 0.577923 0.150215 F\n0.038159 0.578257 0.650379 F\n0.461941 0.460825 0.838253 F\n0.962382 0.461111 0.338335 F\n0.712268 0.961097 0.088192 F\n0.212008 0.961296 0.587986 F\n",
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"formula_full": "Li28 V4 O16 F8",
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}
]
}