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{
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{
"id": "mp-769345",
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"structure_string": "Ho12 Re4 O32\n1.0\n6.027543 0.000000 0.000000\n0.000000 7.251632 0.000000\n0.000000 5.292559 13.468526\nHo Re O\n12 4 32\ndirect\n0.202167 0.340571 0.944479 Ho\n0.743990 0.594137 0.798182 Ho\n0.693887 0.109534 0.832237 Ho\n0.193887 0.890466 0.667763 Ho\n0.243990 0.405863 0.701818 Ho\n0.702167 0.659429 0.555521 Ho\n0.297833 0.340571 0.444479 Ho\n0.756010 0.594137 0.298182 Ho\n0.806113 0.109534 0.332237 Ho\n0.306113 0.890466 0.167763 Ho\n0.256010 0.405863 0.201818 Ho\n0.797833 0.659429 0.055521 Ho\n0.245362 0.820782 0.910081 Re\n0.745362 0.179218 0.589919 Re\n0.254638 0.820782 0.410081 Re\n0.754638 0.179218 0.089919 Re\n0.300155 0.977868 0.981083 O\n0.942537 0.874805 0.911210 O\n0.806232 0.417160 0.978979 O\n0.545268 0.746390 0.904163 O\n0.149738 0.665065 0.829000 O\n0.473597 0.351781 0.841815 O\n0.973862 0.312508 0.827192 O\n0.794787 0.966189 0.714293 O\n0.294787 0.033811 0.785707 O\n0.473862 0.687492 0.672808 O\n0.973597 0.648219 0.658185 O\n0.649738 0.334935 0.671000 O\n0.199845 0.977868 0.481083 O\n0.045268 0.253610 0.595837 O\n0.306232 0.582840 0.521021 O\n0.442537 0.125195 0.588790 O\n0.557463 0.874805 0.411210 O\n0.693768 0.417160 0.478979 O\n0.954732 0.746390 0.404163 O\n0.800155 0.022132 0.518917 O\n0.350262 0.665065 0.329000 O\n0.026403 0.351781 0.341815 O\n0.526138 0.312508 0.327192 O\n0.705213 0.966189 0.214293 O\n0.205213 0.033811 0.285707 O\n0.026138 0.687492 0.172808 O\n0.526403 0.648219 0.158185 O\n0.850262 0.334935 0.171000 O\n0.454732 0.253610 0.095837 O\n0.193768 0.582840 0.021021 O\n0.057463 0.125195 0.088790 O\n0.699845 0.022132 0.018917 O\n",
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{
"id": "mp-700127",
"created_at": "2022-09-04T14:44:06.907951Z",
"structure_string": "Pr10 Mo64 O108\n1.0\n9.424877 0.000000 0.000000\n0.000000 10.978490 -2.070152\n0.000000 0.037010 24.785016\nPr Mo O\n10 64 108\ndirect\n0.012229 0.632609 0.095030 Pr\n0.487771 0.132609 0.595030 Pr\n0.043470 0.023105 0.814431 Pr\n0.500000 0.000000 0.000000 Pr\n0.543470 0.476895 0.685569 Pr\n0.987771 0.367391 0.904970 Pr\n0.456530 0.523105 0.314431 Pr\n0.512229 0.867391 0.404970 Pr\n0.956530 0.976895 0.185569 Pr\n0.000000 0.500000 0.500000 Pr\n0.865339 0.313876 0.743151 Mo\n0.864432 0.604313 0.769201 Mo\n0.365339 0.186124 0.756849 Mo\n0.634074 0.268487 0.176293 Mo\n0.365926 0.731513 0.823707 Mo\n0.147100 0.922115 0.514630 Mo\n0.634661 0.813876 0.243151 Mo\n0.135568 0.395687 0.230799 Mo\n0.152923 0.338823 0.672271 Mo\n0.122954 0.517647 0.358654 Mo\n0.346705 0.365544 0.447442 Mo\n0.859206 0.535173 0.201880 Mo\n0.638285 0.347012 0.520888 Mo\n0.145517 0.804472 0.386197 Mo\n0.647817 0.413175 0.077304 Mo\n0.879045 0.720166 0.893162 Mo\n0.361715 0.652988 0.479112 Mo\n0.140794 0.464827 0.798120 Mo\n0.622954 0.982353 0.141346 Mo\n0.847077 0.661177 0.327729 Mo\n0.379045 0.779834 0.606838 Mo\n0.351071 0.129042 0.199531 Mo\n0.865926 0.768487 0.676293 Mo\n0.851071 0.370958 0.300469 Mo\n0.635568 0.104313 0.269201 Mo\n0.352183 0.586825 0.922696 Mo\n0.141171 0.987599 0.075333 Mo\n0.377046 0.017647 0.858654 Mo\n0.134661 0.686124 0.256849 Mo\n0.364432 0.895687 0.730799 Mo\n0.362729 0.715044 0.045061 Mo\n0.640794 0.035173 0.701880 Mo\n0.623712 0.460747 0.855470 Mo\n0.620955 0.220166 0.393162 Mo\n0.358829 0.487599 0.575333 Mo\n0.645517 0.695528 0.113803 Mo\n0.137271 0.215044 0.545061 Mo\n0.652923 0.161177 0.827729 Mo\n0.138285 0.152988 0.979112 Mo\n0.637271 0.284956 0.954939 Mo\n0.354483 0.304472 0.886197 Mo\n0.647100 0.577885 0.985370 Mo\n0.120955 0.279834 0.106838 Mo\n0.854483 0.195528 0.613803 Mo\n0.653295 0.634456 0.552558 Mo\n0.852183 0.913175 0.577304 Mo\n0.352900 0.422115 0.014630 Mo\n0.861715 0.847012 0.020888 Mo\n0.846705 0.134456 0.052558 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0.241966 O\n0.756213 0.567150 0.909840 O\n0.245753 0.186697 0.620733 O\n0.775371 0.956560 0.280023 O\n0.729547 0.654856 0.256020 O\n0.745753 0.313303 0.879267 O\n0.291313 0.018412 0.938514 O\n0.005740 0.882529 0.882452 O\n0.247589 0.660527 0.332555 O\n0.501722 0.235772 0.462480 O\n0.001662 0.192851 0.681744 O\n0.221203 0.311113 0.956858 O\n0.503988 0.179639 0.688813 O\n0.995076 0.848214 0.093724 O\n0.215224 0.984040 0.156468 O\n0.496012 0.820361 0.311187 O\n0.284776 0.484040 0.656468 O\n0.275371 0.543440 0.219977 O\n0.991829 0.664420 0.397090 O\n0.252686 0.608300 0.773079 O\n0.717630 0.051047 0.623931 O\n0.022888 0.082804 0.349917 O\n0.760821 0.422740 0.002319 O\n0.760647 0.768930 0.606005 O\n0.282370 0.948953 0.376069 O\n0.986453 0.587582 0.840984 O\n0.477112 0.582804 0.849917 O\n0.286185 0.876149 0.021020 O\n0.217630 0.448953 0.876069 O\n0.743787 0.067150 0.409840 O\n0.239179 0.577260 -0.002319 O\n0.245251 0.269958 0.173565 O\n0.004924 0.151786 0.906276 O\n0.996012 0.679639 0.188813 O\n0.784776 0.015960 0.843532 O\n0.770453 0.154856 0.756020 O\n0.491441 0.709533 0.975454 O\n0.758218 0.855075 0.944519 O\n0.522888 0.417196 0.150083 O\n0.715224 0.515960 0.343532 O\n0.495076 0.651786 0.406276 O\n0.504924 0.348214 0.593724 O\n0.513547 0.087582 0.340984 O\n0.008559 0.209533 0.475454 O\n0.791313 0.481588 0.561486 O\n0.741782 0.355075 0.444519 O\n0.498338 0.692851 0.181744 O\n0.001718 0.632377 0.634038 O\n0.739179 0.922740 0.502319 O\n0.012246 0.255653 0.258034 O\n0.249115 0.888944 0.805616 O\n0.258218 0.644925 0.555481 O\n0.486453 0.912418 0.659016 O\n0.998282 0.367623 0.365962 O\n0.260647 0.731070 0.893995 O\n0.498282 0.132377 0.134038 O\n0.254749 0.769958 0.673565 O\n0.747589 0.839473 0.167445 O\n0.754247 0.813303 0.379267 O\n0.239353 0.231070 0.393995 O\n0.270453 0.345144 0.743980 O\n0.752411 0.339473 0.667445 O\n0.013547 0.412418 0.159016 O\n0.208687 0.518412 0.438514 O\n0.260821 0.077260 0.497681 O\n0.213815 0.376149 0.521020 O\n0.247314 0.108300 0.273079 O\n0.977112 0.917196 0.650083 O\n0.778797 0.688887 0.043142 O\n0.724629 0.456560 0.780023 O\n0.708687 0.981588 0.061486 O\n0.501718 0.867623 0.865962 O\n0.998278 0.735772 0.962480 O\n0.739353 0.268930 0.106005 O\n0.008171 0.335580 0.602910 O\n0.224629 0.043440 0.719977 O\n0.003988 0.320361 0.811187 O\n0.991441 0.790467 0.524546 O\n0.998338 0.807149 0.318256 O\n0.278797 0.811113 0.456858 O\n0.749115 0.611056 0.694384 O\n0.994260 0.117471 0.117548 O\n0.782370 0.551047 0.123931 O\n0.752686 0.891700 0.726921 O\n0.786185 0.623851 0.478980 O\n0.501662 0.307149 0.818256 O\n0.754749 0.730042 0.826435 O\n0.498278 0.764228 0.537520 O\n0.508559 0.290467 0.024546 O\n0.713815 0.123851 0.978980 O\n0.750885 0.111056 0.194384 O\n",
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"formula_full": "Pr10 Mo64 O108",
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{
"id": "mp-1245554",
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"structure_string": "Ga4 B8 N12\n1.0\n4.998820 0.131493 0.016846\n-7.774321 4.028086 0.000000\n-0.057284 -0.110558 11.489062\nGa B N\n4 8 12\ndirect\n0.249157 0.084350 0.611696 Ga\n0.750843 0.835192 0.888304 Ga\n0.750843 0.915650 0.388304 Ga\n0.249157 0.164808 0.111696 Ga\n0.816415 0.182457 0.949856 B\n0.183585 0.366043 0.550144 B\n0.183585 0.817543 0.050144 B\n0.816415 0.633957 0.449856 B\n0.530439 0.944055 0.708538 B\n0.469561 0.413616 0.791462 B\n0.469561 0.055945 0.291462 B\n0.530439 0.586384 0.208538 B\n0.000000 0.672567 0.750000 N\n0.000000 0.327433 0.250000 N\n0.735350 0.162302 0.625504 N\n0.264650 0.426951 0.874496 N\n0.264650 0.837698 0.374496 N\n0.735350 0.573049 0.125504 N\n0.371888 0.061476 0.996541 N\n0.628112 0.689587 0.503459 N\n0.628112 0.938524 0.003459 N\n0.371888 0.310413 0.496541 N\n0.000000 0.069876 0.750000 N\n0.000000 0.930124 0.250000 N\n",
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{
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"structure_string": "Co1 Ir1\n1.0\n4.234367 -1.324212 0.000000\n4.234367 1.324212 0.000000\n3.820247 0.000000 2.255907\nCo Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "mp-558588",
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"structure_string": "Ba12 Pt24 S36\n1.0\n11.209130 0.000000 0.000000\n0.000000 11.209130 0.000000\n0.000000 0.000000 13.339116\nBa Pt S\n12 24 36\ndirect\n0.898630 0.677470 0.249859 Ba\n0.822530 0.398630 0.499859 Ba\n0.677470 0.898630 0.750141 Ba\n0.601370 0.177470 0.000141 Ba\n0.177470 0.601370 0.999859 Ba\n0.101370 0.322530 0.749859 Ba\n0.394129 0.394129 0.500000 Ba\n0.322530 0.101370 0.250141 Ba\n0.398630 0.822530 0.500141 Ba\n0.105871 0.894129 0.750000 Ba\n0.894129 0.105871 0.250000 Ba\n0.605871 0.605871 0.000000 Ba\n0.634303 0.039686 0.366946 Pt\n0.357835 0.269687 0.867876 Pt\n0.111265 0.111265 0.000000 Pt\n0.039686 0.634303 0.633054 Pt\n0.386554 0.613446 0.750000 Pt\n0.888735 0.888735 0.500000 Pt\n0.769687 0.142165 0.617876 Pt\n0.134303 0.460314 0.383054 Pt\n0.886554 0.886554 0.000000 Pt\n0.730313 0.642165 0.632124 Pt\n0.857835 0.230313 0.882124 Pt\n0.230313 0.857835 0.117876 Pt\n0.611265 0.388735 0.750000 Pt\n0.460314 0.134303 0.616946 Pt\n0.539686 0.865697 0.116946 Pt\n0.113446 0.113446 0.500000 Pt\n0.142165 0.769687 0.382124 Pt\n0.642165 0.730313 0.367876 Pt\n0.865697 0.539686 0.883054 Pt\n0.388735 0.611265 0.250000 Pt\n0.960314 0.365697 0.133054 Pt\n0.613446 0.386554 0.250000 Pt\n0.365697 0.960314 0.866946 Pt\n0.269687 0.357835 0.132124 Pt\n0.114285 0.322599 0.251272 S\n0.177401 0.614285 0.501272 S\n0.598506 0.598506 0.500000 S\n0.319847 0.112500 0.980354 S\n0.597632 0.594550 0.238768 S\n0.680153 0.887500 0.480354 S\n0.098506 0.901494 0.250000 S\n0.094550 0.902368 0.988768 S\n0.324097 0.104900 0.482607 S\n0.822599 0.385715 0.001272 S\n0.097632 0.905450 0.511232 S\n0.175903 0.604900 0.767393 S\n0.395100 0.824097 0.732607 S\n0.902368 0.094550 0.011232 S\n0.824097 0.395100 0.267393 S\n0.322599 0.114285 0.748728 S\n0.895100 0.675903 0.017393 S\n0.112500 0.319847 0.019646 S\n0.612500 0.180153 0.730354 S\n0.614285 0.177401 0.498728 S\n0.401494 0.401494 0.000000 S\n0.675903 0.895100 0.982607 S\n0.905450 0.097632 0.488768 S\n0.402368 0.405450 0.738768 S\n0.180153 0.612500 0.269646 S\n0.604900 0.175903 0.232607 S\n0.819847 0.387500 0.769646 S\n0.901494 0.098506 0.750000 S\n0.885715 0.677401 0.751272 S\n0.387500 0.819847 0.230354 S\n0.887500 0.680153 0.519646 S\n0.594550 0.597632 0.761232 S\n0.677401 0.885715 0.248728 S\n0.104900 0.324097 0.517393 S\n0.385715 0.822599 0.998728 S\n0.405450 0.402368 0.261232 S\n",
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"volume": 1675.9878322387506,
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"formula_full": "Ba12 Pt24 S36",
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"spacegroup": 92
},
{
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