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{
"id": "mp-1208923",
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{
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"structure_string": "Na1 Ca1 Hf1 Nb1 O6\n1.0\n-0.000000 -4.057222 -4.057222\n4.057222 -0.000000 -4.057222\n4.057222 -4.057222 0.000000\nNa Ca Hf Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.746352 0.253648 0.253648 O\n0.253648 0.746352 0.746352 O\n0.746352 0.253648 0.746352 O\n0.253648 0.746352 0.253648 O\n0.746352 0.746352 0.253648 O\n0.253648 0.253648 0.746352 O\n",
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{
"id": "mp-850743",
"created_at": "2022-09-04T14:48:02.189033Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n-5.228893 0.000000 0.000000\n-0.034308 -9.055096 0.000000\n2.498892 4.331899 10.369865\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.029904 0.041937 0.416575 Li\n0.293054 0.283060 0.915689 Li\n0.483658 0.506659 0.666800 Li\n0.269239 0.242957 0.166067 Li\n0.528140 0.540557 0.416483 Li\n0.794933 0.785242 0.916595 Li\n0.987608 0.008143 0.668742 Li\n0.768463 0.746005 0.166249 Li\n0.241003 0.566459 0.131882 Mn\n0.030585 0.357271 0.384931 Fe\n0.278640 0.932742 0.882288 Fe\n0.470776 0.150857 0.629961 Fe\n0.529427 0.855797 0.383480 Fe\n0.765708 0.432688 0.878721 Fe\n0.747355 0.070175 0.134384 Fe\n0.971342 0.655848 0.631933 Fe\n0.022169 0.686102 0.377831 B\n0.266344 0.603957 0.875041 B\n0.236455 0.895650 0.127541 B\n0.474445 0.814821 0.626386 B\n0.522324 0.185250 0.376898 B\n0.768629 0.103691 0.875577 B\n0.732054 0.391499 0.124994 B\n0.973480 0.316405 0.626449 B\n0.023817 0.104702 0.862145 O\n0.101683 0.714744 0.845560 O\n0.166913 0.493387 0.914660 O\n0.083642 0.172873 0.614351 O\n0.101595 0.428070 0.596200 O\n0.238185 0.843689 0.664220 O\n0.268720 0.660714 0.349054 O\n0.523963 0.606820 0.862902 O\n0.602484 0.213388 0.845432 O\n0.402305 0.081810 0.417344 O\n0.396161 0.315076 0.363528 O\n0.668516 0.993867 0.916215 O\n0.341352 0.013554 0.096387 O\n0.584293 0.671291 0.613775 O\n0.602824 0.927755 0.597460 O\n0.402967 0.795155 0.168410 O\n0.464203 0.370443 0.111255 O\n0.737249 0.345574 0.664715 O\n0.767710 0.159091 0.346816 O\n0.901312 0.580962 0.416107 O\n0.896875 0.816428 0.364825 O\n0.833918 0.511853 0.095211 O\n0.900833 0.291326 0.165899 O\n0.965946 0.876859 0.113630 O\n",
"nsites": 48,
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"formula_full": "Li8 Mn1 Fe7 B8 O24",
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{
"id": "mp-24064",
"created_at": "2022-09-04T14:48:02.232062Z",
"structure_string": "P4 H4 F8\n1.0\n4.682480 0.000000 0.000000\n0.000000 6.537462 0.000000\n0.000000 0.000000 8.127723\nP H F\n4 4 8\ndirect\n0.726625 0.410770 0.916811 P\n0.226625 0.089230 0.083189 P\n0.273375 0.910770 0.583189 P\n0.773375 0.589230 0.416811 P\n0.525890 0.551370 0.987129 H\n0.025890 0.948630 0.012871 H\n0.474110 0.051370 0.512871 H\n0.974110 0.448630 0.487129 H\n0.945620 0.623824 0.246299 F\n0.445620 0.876176 0.753701 F\n0.054380 0.123824 0.253701 F\n0.554380 0.376176 0.746299 F\n0.553837 0.416204 0.350012 F\n0.053837 0.083796 0.649988 F\n0.446163 0.916204 0.149988 F\n0.946163 0.583796 0.850012 F\n",
"nsites": 16,
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"elements": [
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"formula_full": "P4 H4 F8",
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},
{
"id": "mp-12626",
"created_at": "2022-09-04T14:48:01.251564Z",
"structure_string": "K2 Sr1 Be2 F8\n1.0\n7.094117 -2.747113 0.000000\n7.094117 2.747113 0.000000\n6.030330 0.000000 4.637698\nK Sr Be F\n2 1 2 8\ndirect\n0.202263 0.202263 0.202263 K\n0.797737 0.797737 0.797737 K\n0.000000 0.000000 0.000000 Sr\n0.598616 0.598616 0.598616 Be\n0.401384 0.401384 0.401384 Be\n0.730587 0.261540 0.730587 F\n0.261540 0.730587 0.730587 F\n0.730587 0.730587 0.261540 F\n0.326621 0.326621 0.326621 F\n0.673379 0.673379 0.673379 F\n0.738460 0.269413 0.269413 F\n0.269413 0.269413 0.738460 F\n0.269413 0.738460 0.269413 F\n",
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{
"id": "mp-571662",
"created_at": "2022-09-04T14:48:01.256162Z",
"structure_string": "K4 La4 P8 Se24\n1.0\n7.945871 0.000000 0.000000\n0.000000 12.014011 0.000000\n0.000000 4.197793 11.924077\nK La P Se\n4 4 8 24\ndirect\n0.587974 0.873787 0.871627 K\n0.087974 0.626213 0.128373 K\n0.412026 0.126213 0.128373 K\n0.912026 0.373787 0.871627 K\n0.603292 0.403564 0.351100 La\n0.396708 0.596436 0.648900 La\n0.896708 0.903564 0.351100 La\n0.103292 0.096436 0.648900 La\n0.403177 0.746758 0.324694 P\n0.883701 0.232376 0.211039 P\n0.596823 0.253242 0.675306 P\n0.096823 0.246758 0.324694 P\n0.116299 0.767624 0.788961 P\n0.383701 0.267624 0.788961 P\n0.903177 0.753242 0.675306 P\n0.616299 0.732376 0.211039 P\n0.711780 0.639268 0.784333 Se\n0.972857 0.317657 0.447616 Se\n0.287529 0.086416 0.869890 Se\n0.810741 0.633934 0.329466 Se\n0.211780 0.860732 0.215667 Se\n0.787529 0.413584 0.130110 Se\n0.689582 0.434920 0.588340 Se\n0.480608 0.372272 0.888032 Se\n0.189582 0.065080 0.411660 Se\n0.810418 0.934920 0.588340 Se\n0.527143 0.817657 0.447616 Se\n0.310418 0.565080 0.411660 Se\n0.027143 0.682343 0.552384 Se\n0.472857 0.182343 0.552384 Se\n0.519392 0.627728 0.111968 Se\n0.689259 0.133934 0.329466 Se\n0.212471 0.586416 0.869890 Se\n0.288220 0.360732 0.215667 Se\n0.310741 0.866066 0.670534 Se\n0.712471 0.913584 0.130110 Se\n0.019392 0.872272 0.888032 Se\n0.189259 0.366066 0.670534 Se\n0.788220 0.139268 0.784333 Se\n0.980608 0.127728 0.111968 Se\n",
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{
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"structure_string": "H32 C12 N16 O16\n1.0\n8.708945 0.000000 0.000000\n0.000000 8.587950 0.000000\n0.000000 0.153344 10.166033\nH C N O\n32 12 16 16\ndirect\n0.467864 0.318959 0.414314 H\n0.967864 0.181041 0.585686 H\n0.532136 0.681041 0.585686 H\n0.032136 0.818959 0.414314 H\n0.455823 0.228440 0.575714 H\n0.955823 0.271560 0.424286 H\n0.544177 0.771560 0.424286 H\n0.044177 0.728440 0.575714 H\n0.609852 0.361801 0.536331 H\n0.109852 0.138199 0.463669 H\n0.390148 0.638199 0.463669 H\n0.890148 0.861801 0.536331 H\n0.667362 0.005098 0.118124 H\n0.167362 0.494902 0.881876 H\n0.332638 0.994902 0.881876 H\n0.832638 0.505098 0.118124 H\n0.825752 0.874605 0.161743 H\n0.325752 0.625395 0.838257 H\n0.174248 0.125395 0.838257 H\n0.674248 0.374605 0.161743 H\n0.293134 0.280030 0.235451 H\n0.793134 0.219970 0.764549 H\n0.706866 0.719970 0.764549 H\n0.206866 0.780030 0.235451 H\n0.293732 0.070526 0.220026 H\n0.793732 0.429474 0.779974 H\n0.706268 0.929474 0.779974 H\n0.206268 0.570526 0.220026 H\n0.340147 0.195776 0.080481 H\n0.840147 0.304224 0.919519 H\n0.659853 0.804224 0.919519 H\n0.159853 0.695776 0.080481 H\n0.773604 0.989600 0.174507 C\n0.273604 0.510400 0.825493 C\n0.226396 0.010400 0.825493 C\n0.726396 0.489600 0.174507 C\n0.532317 0.272463 0.498390 C\n0.032317 0.227537 0.501610 C\n0.467683 0.727537 0.501610 C\n0.967683 0.772463 0.498390 C\n0.271294 0.181938 0.170303 C\n0.771294 0.318062 0.829697 C\n0.728706 0.818062 0.829697 C\n0.228706 0.681938 0.170303 C\n0.628348 0.139816 0.458104 N\n0.128348 0.360184 0.541896 N\n0.371652 0.860184 0.541896 N\n0.871652 0.639816 0.458104 N\n0.108000 0.194024 0.131613 N\n0.608000 0.305976 0.868387 N\n0.892000 0.805976 0.868387 N\n0.392000 0.694024 0.131613 N\n0.644007 0.123321 0.333558 N\n0.144007 0.376679 0.666442 N\n0.355993 0.876679 0.666442 N\n0.855993 0.623321 0.333558 N\n0.022820 0.079360 0.169700 N\n0.522820 0.420640 0.830300 N\n0.977180 0.920640 0.830300 N\n0.477180 0.579360 0.169700 N\n0.872345 0.111224 0.128748 O\n0.372345 0.388776 0.871252 O\n0.127655 0.888776 0.871252 O\n0.627655 0.611224 0.128748 O\n0.744240 0.998706 0.312671 O\n0.244240 0.501294 0.687329 O\n0.255760 0.001294 0.687329 O\n0.755760 0.498706 0.312671 O\n0.690056 0.057109 0.547942 O\n0.190056 0.442891 0.452058 O\n0.309944 0.942891 0.452058 O\n0.809944 0.557109 0.547942 O\n0.064629 0.313992 0.068231 O\n0.564629 0.186008 0.931769 O\n0.935371 0.686008 0.931769 O\n0.435371 0.813992 0.068231 O\n",
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{
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{
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