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{
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{
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"structure_string": "Ce6 Si4\n1.0\n7.639702 0.000000 0.000000\n0.000000 7.639702 0.000000\n0.000000 0.000000 4.170974\nCe Si\n6 4\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.679755 0.179755 0.500000 Ce\n0.320245 0.820245 0.500000 Ce\n0.179755 0.320245 0.500000 Ce\n0.820245 0.679755 0.500000 Ce\n0.113715 0.613715 0.000000 Si\n0.886285 0.386285 0.000000 Si\n0.613715 0.886285 0.000000 Si\n0.386285 0.113715 0.000000 Si\n",
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"elements": [
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},
{
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"created_at": "2022-09-04T14:39:30.009201Z",
"structure_string": "Al10 B2 O18\n1.0\n2.865439 -7.578485 0.000000\n2.865439 7.578485 0.000000\n0.000000 0.000000 7.765738\nAl B O\n10 2 18\ndirect\n0.367926 0.136132 0.499780 Al\n0.296594 0.703406 0.333666 Al\n0.703406 0.296594 0.833666 Al\n0.556457 0.443543 0.183185 Al\n0.443543 0.556457 0.683185 Al\n0.744615 0.255385 0.184930 Al\n0.255385 0.744615 0.684930 Al\n0.136132 0.367926 0.999780 Al\n0.863868 0.632074 0.499780 Al\n0.632074 0.863868 0.999780 Al\n0.984356 0.015644 0.720822 B\n0.015644 0.984356 0.220822 B\n0.191060 0.808940 0.435881 O\n0.953613 0.046387 0.093066 O\n0.046387 0.953613 0.593066 O\n0.454644 0.545356 0.071780 O\n0.545356 0.454644 0.571780 O\n0.669309 0.330691 0.368195 O\n0.330691 0.669309 0.868195 O\n0.838221 0.742019 0.284836 O\n0.808940 0.191060 0.935881 O\n0.648281 0.351719 0.037239 O\n0.742019 0.838221 0.784836 O\n0.257981 0.161779 0.284836 O\n0.161779 0.257981 0.784836 O\n0.447527 0.067021 0.700401 O\n0.067021 0.447527 0.200401 O\n0.552473 0.932979 0.200401 O\n0.932979 0.552473 0.700401 O\n0.351719 0.648281 0.537239 O\n",
"nsites": 30,
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"elements": [
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"density": 2.852733635998956,
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"volume": 337.27666338632423,
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"formula_full": "Al10 B2 O18",
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{
"id": "mp-1024984",
"created_at": "2022-09-04T14:39:30.925298Z",
"structure_string": "Tb1 In1 Pt4\n1.0\n0.000000 3.829458 3.829458\n3.829458 0.000000 3.829458\n3.829458 3.829458 0.000000\nTb In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 In\n0.624539 0.624539 0.126383 Pt\n0.624539 0.126383 0.624539 Pt\n0.126383 0.624539 0.624539 Pt\n0.624539 0.624539 0.624539 Pt\n",
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"elements": [
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],
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"density": 15.584055098121773,
"density_atomic": 0.05342066901030778,
"volume": 112.31607748757827,
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"formula_full": "Tb1 In1 Pt4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "mp-3985",
"created_at": "2022-09-04T14:39:31.460219Z",
"structure_string": "Tm1 Mn2 Ge2\n1.0\n-1.954631 1.954631 5.412367\n1.954631 -1.954631 5.412367\n1.954631 1.954631 -5.412367\nTm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.617634 0.617634 0.000000 Ge\n0.382366 0.382366 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"density": 8.513941137640291,
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"volume": 82.71357524457748,
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"formula_full": "Tm1 Mn2 Ge2",
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"spacegroup": 139
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{
"id": "mp-93",
"created_at": "2022-09-04T14:39:27.657490Z",
"structure_string": "U30\n1.0\n10.433955 0.000000 0.000000\n0.000000 10.433955 0.000000\n0.000000 0.000000 5.653269\nU\n30\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.889046 0.110954 0.500000 U\n0.110954 0.889046 0.500000 U\n0.389046 0.389046 0.000000 U\n0.610954 0.610954 0.000000 U\n0.952900 0.361970 0.500000 U\n0.047100 0.638030 0.500000 U\n0.452900 0.138030 0.000000 U\n0.547100 0.861970 0.000000 U\n0.361970 0.952900 0.500000 U\n0.638030 0.047100 0.500000 U\n0.138030 0.452900 0.000000 U\n0.861970 0.547100 0.000000 U\n0.234212 0.443962 0.500000 U\n0.765788 0.556038 0.500000 U\n0.734212 0.056038 0.000000 U\n0.265788 0.943962 0.000000 U\n0.443962 0.234212 0.500000 U\n0.556038 0.765788 0.500000 U\n0.056038 0.734212 0.000000 U\n0.943962 0.265788 0.000000 U\n0.679723 0.320277 0.225695 U\n0.320277 0.679723 0.225695 U\n0.179723 0.179723 0.725695 U\n0.820277 0.820277 0.725695 U\n0.320277 0.679723 0.774305 U\n0.679723 0.320277 0.774305 U\n0.820277 0.820277 0.274305 U\n0.179723 0.179723 0.274305 U\n",
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"energy": -335.68289859,
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{
"id": "mp-1198701",
"created_at": "2022-09-04T14:39:25.128852Z",
"structure_string": "Li18 Cu3 B12 O30\n1.0\n4.898169 0.000000 0.000000\n-0.649154 9.331080 0.000000\n-1.748957 -3.737759 13.578050\nLi Cu B O\n18 3 12 30\ndirect\n0.958401 0.193983 0.183910 Li\n0.041599 0.806017 0.816090 Li\n0.934253 0.623400 0.969259 Li\n0.065747 0.376600 0.030741 Li\n0.913193 0.916624 0.186171 Li\n0.086807 0.083376 0.813829 Li\n0.787032 0.056428 0.367155 Li\n0.212968 0.943572 0.632845 Li\n0.663632 0.857486 0.511984 Li\n0.336368 0.142514 0.488016 Li\n0.634040 0.566726 0.087627 Li\n0.365960 0.433274 0.912373 Li\n0.615246 0.825614 0.686306 Li\n0.384754 0.174386 0.313694 Li\n0.563542 0.433533 0.397170 Li\n0.436458 0.566467 0.602830 Li\n0.505121 0.597246 0.803977 Li\n0.494879 0.402754 0.196023 Li\n0.000000 0.000000 0.000000 Cu\n0.698080 0.682385 0.330324 Cu\n0.301920 0.317615 0.669676 Cu\n0.919336 0.548134 0.668748 B\n0.080664 0.451866 0.331252 B\n0.829941 0.316081 0.519843 B\n0.170059 0.683919 0.480157 B\n0.796572 0.341267 0.816399 B\n0.203428 0.658733 0.183601 B\n0.724114 0.106830 0.668778 B\n0.275886 0.893170 0.331222 B\n0.588037 0.224980 0.005025 B\n0.411963 0.775020 0.994975 B\n0.539989 0.001030 0.852595 B\n0.460011 0.998970 0.147405 B\n0.969883 0.411029 0.899939 O\n0.030117 0.588971 0.100061 O\n0.935245 0.743131 0.454707 O\n0.064755 0.256869 0.545293 O\n0.881980 0.215889 0.750963 O\n0.118020 0.784111 0.249037 O\n0.839070 0.194577 0.046887 O\n0.160930 0.805423 0.953113 O\n0.834709 0.975961 0.642312 O\n0.165291 0.024039 0.357688 O\n0.812741 0.473494 0.302397 O\n0.187259 0.526506 0.697603 O\n0.808276 0.968228 0.866807 O\n0.191724 0.031772 0.133193 O\n0.779002 0.657148 0.718888 O\n0.220998 0.342852 0.281112 O\n0.763683 0.454941 0.579023 O\n0.236317 0.545059 0.420977 O\n0.644433 0.250622 0.437589 O\n0.355567 0.749378 0.562411 O\n0.648273 0.073804 0.226511 O\n0.351727 0.926196 0.773489 O\n0.559959 0.877528 0.081730 O\n0.440041 0.122472 0.918270 O\n0.530676 0.871058 0.375372 O\n0.469324 0.128942 0.624628 O\n0.527483 0.647692 0.958101 O\n0.472517 0.352308 0.041899 O\n0.538456 0.385191 0.794602 O\n0.461544 0.614809 0.205398 O\n",
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"formula_full": "Li18 Cu3 B12 O30",
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{
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"structure_string": "Ni1 Ag4 P6 O24\n1.0\n6.617246 0.000000 0.000000\n-0.282261 8.139537 0.000000\n-2.015543 -1.047037 9.167124\nNi Ag P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.615913 0.282545 0.424555 Ag\n0.384087 0.717455 0.575446 Ag\n0.192615 0.434133 0.162219 Ag\n0.807385 0.565867 0.837781 Ag\n0.856104 0.721387 0.506473 P\n0.143896 0.278613 0.493527 P\n0.460079 0.143447 0.701780 P\n0.539921 0.856553 0.298220 P\n0.726391 0.558860 0.207609 P\n0.273609 0.441140 0.792391 P\n0.294024 0.364539 0.417303 O\n0.705976 0.635461 0.582697 O\n0.931424 0.231338 0.404157 O\n0.068576 0.768662 0.595843 O\n0.744113 0.873563 0.435665 O\n0.255887 0.126437 0.564335 O\n0.885311 0.601791 0.364577 O\n0.114689 0.398209 0.635423 O\n0.512895 0.021812 0.248155 O\n0.487105 0.978188 0.751845 O\n0.365944 0.760257 0.342805 O\n0.634056 0.239743 0.657195 O\n0.623745 0.731785 0.177578 O\n0.376255 0.268215 0.822422 O\n0.856708 0.518000 0.097577 O\n0.143292 0.482000 0.902423 O\n0.562488 0.431535 0.224618 O\n0.437512 0.568465 0.775382 O\n0.179164 0.167533 0.109768 O\n0.820836 0.832467 0.890232 O\n0.194928 0.869055 0.953589 O\n0.805072 0.130945 0.046411 O\n0.010487 0.991524 0.193703 O\n0.989513 0.008476 0.806297 O\n",
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{
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}