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{
"id": "mp-30080",
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"structure_string": "Li2 Ge1 Pd1\n1.0\n0.000000 3.022664 3.022664\n3.022664 0.000000 3.022664\n3.022664 3.022664 0.000000\nLi Ge Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Rb2 Mg12 C2\n1.0\n3.283259 0.000000 0.000000\n0.000000 8.311256 0.000000\n0.000000 0.000000 14.580709\nRb Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.341874 Rb\n0.000000 0.000000 0.841874 Rb\n0.000000 0.326940 0.128029 Mg\n0.000000 0.673060 0.128029 Mg\n0.000000 0.000000 0.289736 Mg\n0.500000 0.833131 0.463437 Mg\n0.500000 0.166869 0.463437 Mg\n0.500000 0.000000 0.092053 Mg\n0.000000 0.826940 0.628029 Mg\n0.000000 0.173060 0.628029 Mg\n0.000000 0.500000 0.789736 Mg\n0.500000 0.333131 0.963437 Mg\n0.500000 0.666869 0.963437 Mg\n0.500000 0.500000 0.592053 Mg\n0.500000 0.500000 0.093404 C\n0.500000 0.000000 0.593404 C\n",
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{
"id": "mp-1182536",
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"structure_string": "Ca6 As4 O38\n1.0\n11.881052 0.358869 0.290287\n-4.198938 10.873517 -0.437259\n0.290679 -0.203975 6.080458\nCa As O\n6 4 38\ndirect\n0.825423 0.440327 0.677178 Ca\n0.174577 0.559673 0.322822 Ca\n0.882765 0.677618 0.191100 Ca\n0.117235 0.322382 0.808900 Ca\n0.849454 0.096114 0.484783 Ca\n0.150546 0.903886 0.515217 Ca\n0.731130 0.842057 0.742511 As\n0.268870 0.157943 0.257489 As\n0.910039 0.372192 0.202158 As\n0.089961 0.627808 0.797842 As\n0.811899 0.866358 0.040346 O\n0.188101 0.133642 0.959654 O\n0.871833 0.892661 0.566274 O\n0.128167 0.107339 0.433726 O\n0.659342 0.694705 0.747549 O\n0.340658 0.305295 0.252451 O\n0.578822 0.929629 0.111045 O\n0.421178 0.070371 0.888955 O\n0.056397 0.376486 0.157229 O\n0.943603 0.623514 0.842771 O\n0.922015 0.516321 0.325772 O\n0.077985 0.483679 0.674228 O\n0.837178 0.279688 0.411066 O\n0.162822 0.720312 0.588934 O\n0.834882 0.336610 0.965330 O\n0.165118 0.663390 0.034670 O\n0.568240 0.287691 0.632380 O\n0.431760 0.712309 0.367620 O\n0.685495 0.524943 0.388491 O\n0.314505 0.475057 0.611509 O\n0.698884 0.520250 0.021625 O\n0.301116 0.479750 0.978375 O\n0.941144 0.813569 0.527373 O\n0.058856 0.186431 0.472627 O\n0.061665 0.834866 0.193210 O\n0.938335 0.165134 0.806790 O\n0.868103 0.978388 0.116186 O\n0.131897 0.021612 0.883814 O\n0.686599 0.955785 0.672108 O\n0.313401 0.044215 0.327892 O\n0.639762 0.041200 0.172760 O\n0.360238 0.958800 0.827240 O\n0.583960 0.118258 0.212028 O\n0.416040 0.881742 0.787972 O\n0.529434 0.699610 0.319790 O\n0.470566 0.300390 0.680210 O\n0.643465 0.463577 0.200938 O\n0.356535 0.536423 0.799062 O\n",
"nsites": 48,
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],
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"formula_full": "Ca6 As4 O38",
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{
"id": "mp-1227192",
"created_at": "2022-09-04T14:39:07.915910Z",
"structure_string": "Ca4 Si3 B5 O20\n1.0\n4.955114 0.000000 0.000000\n-0.018128 7.640013 0.000000\n-0.315607 -0.005689 9.462860\nCa Si B O\n4 3 5 20\ndirect\n0.997504 0.378724 0.824161 Ca\n0.002697 0.884913 0.673530 Ca\n0.003880 0.610503 0.174041 Ca\n0.995254 0.118845 0.332609 Ca\n0.524857 0.743370 0.910732 Si\n0.530251 0.755860 0.413954 Si\n0.471340 0.256483 0.085840 Si\n0.548056 0.099904 0.820609 B\n0.442253 0.590623 0.667851 B\n0.433001 0.906572 0.169650 B\n0.559588 0.398967 0.337573 B\n0.494424 0.252056 0.587187 B\n0.269752 0.127991 0.558678 O\n0.765765 0.606615 0.950293 O\n0.761425 0.898391 0.454506 O\n0.243014 0.401741 0.047177 O\n0.255244 0.100192 0.800012 O\n0.735420 0.602288 0.695344 O\n0.728193 0.901244 0.196462 O\n0.267187 0.394549 0.309514 O\n0.358403 0.406684 0.649430 O\n0.657709 0.919851 0.839409 O\n0.671652 0.578214 0.352782 O\n0.321840 0.081933 0.149076 O\n0.642236 0.206367 0.945032 O\n0.348578 0.704222 0.550809 O\n0.352288 0.792336 0.049896 O\n0.638124 0.288000 0.458096 O\n0.681329 0.175579 0.695154 O\n0.300893 0.657874 0.794958 O\n0.301298 0.832532 0.297660 O\n0.696542 0.326576 0.207975 O\n",
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"formula_full": "Ca4 Si3 B5 O20",
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},
{
"id": "mp-1047709",
"created_at": "2022-09-04T14:39:07.919199Z",
"structure_string": "Mg2 V4 O8\n1.0\n1.442754 -4.893848 0.000000\n1.442754 4.893848 0.000000\n0.000000 0.000000 10.004526\nMg V O\n2 4 8\ndirect\n0.616580 0.383420 0.750000 Mg\n0.383420 0.616580 0.250000 Mg\n0.130644 0.869356 0.074225 V\n0.869356 0.130644 0.925775 V\n0.130644 0.869356 0.425775 V\n0.869356 0.130644 0.574225 V\n0.772742 0.227258 0.384727 O\n0.227258 0.772742 0.615273 O\n0.227258 0.772742 0.884727 O\n0.772742 0.227258 0.115273 O\n0.035930 0.964070 0.250000 O\n0.964070 0.035930 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-625254",
"created_at": "2022-09-04T14:39:07.921034Z",
"structure_string": "P8 H24 O24\n1.0\n7.535753 0.000000 0.000000\n0.000000 6.963281 0.000000\n0.000000 6.897793 12.176293\nP H O\n8 24 24\ndirect\n0.772118 0.402858 0.618943 P\n0.737309 0.171676 0.364180 P\n0.227882 0.402858 0.118943 P\n0.262691 0.171676 0.864180 P\n0.701754 0.567964 0.895191 P\n0.830066 0.818910 0.127787 P\n0.298246 0.567964 0.395191 P\n0.169934 0.818910 0.627787 P\n0.479188 0.436369 0.545346 H\n0.465445 0.235981 0.686562 H\n0.019828 0.132798 0.315245 H\n0.520812 0.436369 0.045346 H\n0.534555 0.235981 0.186562 H\n0.980172 0.132798 0.815245 H\n0.796398 0.018548 0.728423 H\n0.679681 0.955652 0.281325 H\n0.203602 0.018548 0.228423 H\n0.320319 0.955652 0.781325 H\n0.955596 0.479002 0.479548 H\n0.768229 0.875982 0.526328 H\n0.044404 0.479002 0.979548 H\n0.231771 0.875982 0.026328 H\n0.807192 0.705099 0.726514 H\n0.713208 0.592293 0.293743 H\n0.192808 0.705099 0.226514 H\n0.286792 0.592293 0.793743 H\n0.715273 0.223098 0.929126 H\n0.824382 0.585421 0.059207 H\n0.284727 0.223098 0.429126 H\n0.175618 0.585421 0.559207 H\n0.553916 0.946355 0.046972 H\n0.446084 0.946355 0.546972 H\n0.545979 0.327869 0.613483 O\n0.933258 0.068803 0.377541 O\n0.454021 0.327869 0.113483 O\n0.066742 0.068803 0.877541 O\n0.826067 0.167478 0.722069 O\n0.637848 0.094158 0.280153 O\n0.173933 0.167478 0.222069 O\n0.362152 0.094158 0.780153 O\n0.828080 0.402261 0.510195 O\n0.669510 0.977202 0.486982 O\n0.171920 0.402261 0.010195 O\n0.330490 0.977202 0.986982 O\n0.740128 0.769328 0.764616 O\n0.747904 0.750103 0.251199 O\n0.259872 0.769328 0.264616 O\n0.252096 0.750103 0.751199 O\n0.725505 0.373657 0.863148 O\n0.780210 0.593355 0.128017 O\n0.274495 0.373657 0.363148 O\n0.219790 0.593355 0.628017 O\n0.871189 0.564164 0.961640 O\n0.678151 0.995363 0.047223 O\n0.128811 0.564164 0.461640 O\n0.321849 0.995363 0.547223 O\n",
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{
"id": "mp-1197902",
"created_at": "2022-09-04T14:39:07.924591Z",
"structure_string": "H28 Pb12 C16 O26\n1.0\n7.357926 0.000000 0.000000\n-0.094670 11.885058 0.000000\n-2.563284 -5.296783 12.591895\nH Pb C O\n28 12 16 26\ndirect\n0.284154 0.551279 0.341895 H\n0.715846 0.448721 0.658105 H\n0.065634 0.540978 0.336588 H\n0.934366 0.459022 0.663412 H\n0.758320 0.488272 0.474503 H\n0.241680 0.511728 0.525497 H\n0.867915 0.619308 0.470193 H\n0.132085 0.380692 0.529807 H\n0.630326 0.617459 0.486149 H\n0.369674 0.382541 0.513851 H\n0.512198 0.134270 0.320443 H\n0.487802 0.865730 0.679557 H\n0.570004 0.293210 0.365909 H\n0.429996 0.706790 0.634091 H\n0.332983 0.236239 0.342443 H\n0.667017 0.763761 0.657557 H\n0.925905 0.860479 0.503142 H\n0.074095 0.139521 0.496858 H\n0.148990 0.930118 0.512210 H\n0.851010 0.069882 0.487790 H\n0.135959 0.800990 0.544146 H\n0.864041 0.199010 0.455854 H\n0.615039 0.230002 0.631684 H\n0.384961 0.769998 0.368316 H\n0.576570 0.101962 0.663751 H\n0.423430 0.898038 0.336249 H\n0.384172 0.181622 0.633472 H\n0.615828 0.818378 0.366528 H\n0.659978 0.411545 0.083086 Pb\n0.340022 0.588455 0.916914 Pb\n0.931337 0.220081 0.208908 Pb\n0.068663 0.779919 0.791092 Pb\n0.144589 0.408462 0.070291 Pb\n0.855411 0.591538 0.929709 Pb\n0.860180 0.089594 0.919255 Pb\n0.139820 0.910406 0.080745 Pb\n0.049564 0.277792 0.780204 Pb\n0.950436 0.722208 0.219796 Pb\n0.334681 0.090613 0.913556 Pb\n0.665319 0.909387 0.086444 Pb\n0.668865 0.511560 0.327868 C\n0.331135 0.488440 0.672132 C\n0.735354 0.563829 0.447237 C\n0.264646 0.436171 0.552763 C\n0.439002 0.204966 0.199714 C\n0.560998 0.795034 0.800286 C\n0.463514 0.219163 0.314315 C\n0.536486 0.780837 0.685685 C\n0.073389 0.967017 0.663979 C\n0.926611 0.032983 0.336021 C\n0.068702 0.884696 0.548620 C\n0.931298 0.115304 0.451380 C\n0.563121 0.274129 0.789137 C\n0.436879 0.725871 0.210863 C\n0.530817 0.192542 0.671912 C\n0.469183 0.807458 0.328088 C\n0.891138 0.283712 0.075480 O\n0.108862 0.716288 0.924520 O\n0.888994 0.033720 0.077187 O\n0.111006 0.966280 0.922813 O\n0.105360 0.463131 0.917378 O\n0.894640 0.536869 0.082622 O\n0.107818 0.217139 0.919461 O\n0.892182 0.782861 0.080539 O\n0.178972 0.596920 0.366730 O\n0.821028 0.403080 0.633270 O\n0.798243 0.485772 0.272219 O\n0.201757 0.514228 0.727781 O\n0.498795 0.492929 0.287005 O\n0.501205 0.507071 0.712995 O\n0.275598 0.193743 0.144610 O\n0.724402 0.806257 0.855390 O\n0.582920 0.198724 0.158396 O\n0.417080 0.801276 0.841604 O\n0.425971 0.309647 0.833863 O\n0.574029 0.690353 0.166137 O\n0.731417 0.302449 0.841415 O\n0.268583 0.697551 0.158585 O\n0.237915 0.000753 0.722657 O\n0.762085 0.999247 0.277343 O\n0.923942 0.996445 0.695622 O\n0.076058 0.003555 0.304378 O\n",
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{
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