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{
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{
"id": "mp-1222408",
"created_at": "2022-09-04T14:41:54.505990Z",
"structure_string": "Lu2 Cu2 Sn2\n1.0\n2.259292 -3.913209 0.000000\n2.259292 3.913209 0.000000\n0.000000 0.000000 7.553462\nLu Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.202666 Lu\n0.000000 0.000000 0.797334 Lu\n0.333333 0.666667 0.021108 Cu\n0.666667 0.333333 0.978892 Cu\n0.666667 0.333333 0.579637 Sn\n0.333333 0.666667 0.420363 Sn\n",
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{
"id": "mp-1041894",
"created_at": "2022-09-04T14:41:54.168612Z",
"structure_string": "Zn6 Cu6 Mo12 O42\n1.0\n8.587734 0.000000 0.000000\n0.000000 10.612540 0.000000\n0.000000 1.213538 10.700432\nZn Cu Mo O\n6 6 12 42\ndirect\n0.432228 0.874075 0.570873 Zn\n0.924031 0.500000 0.750000 Zn\n0.432228 0.125925 0.929127 Zn\n0.075969 0.500000 0.250000 Zn\n0.567772 0.125925 0.429127 Zn\n0.567772 0.874075 0.070873 Zn\n0.930505 0.190475 0.408343 Cu\n0.069495 0.809525 0.591657 Cu\n0.437472 0.500000 0.250000 Cu\n0.930505 0.809525 0.091657 Cu\n0.562528 0.500000 0.750000 Cu\n0.069495 0.190475 0.908343 Cu\n0.233070 0.824959 0.287371 Mo\n0.755267 0.848215 0.368550 Mo\n0.244733 0.848215 0.868550 Mo\n0.766930 0.824959 0.787371 Mo\n0.269703 0.508415 0.958784 Mo\n0.755267 0.151785 0.131450 Mo\n0.730297 0.508415 0.458784 Mo\n0.244733 0.151785 0.631450 Mo\n0.269703 0.491585 0.541216 Mo\n0.730297 0.491585 0.041216 Mo\n0.766930 0.175041 0.712629 Mo\n0.233070 0.175041 0.212629 Mo\n0.740135 0.798549 0.957257 O\n0.756614 0.136406 0.306625 O\n0.820775 0.000000 0.750000 O\n0.911186 0.515765 0.115119 O\n0.415741 0.068508 0.566739 O\n0.918675 0.726479 0.723879 O\n0.320255 0.677392 0.927410 O\n0.088814 0.515765 0.615119 O\n0.740702 0.530697 0.870147 O\n0.415741 0.931492 0.933261 O\n0.740702 0.469303 0.629853 O\n0.421017 0.429635 0.885703 O\n0.929331 0.138149 0.043407 O\n0.081325 0.726479 0.223879 O\n0.679745 0.322608 0.072590 O\n0.320255 0.322608 0.572590 O\n0.918675 0.273521 0.776121 O\n0.584259 0.931492 0.433261 O\n0.259865 0.798549 0.457257 O\n0.578983 0.570365 0.114297 O\n0.408363 0.197005 0.298905 O\n0.259298 0.469303 0.129853 O\n0.070669 0.138149 0.543407 O\n0.259298 0.530697 0.370147 O\n0.911186 0.484235 0.384881 O\n0.578983 0.429635 0.385703 O\n0.088814 0.484235 0.884881 O\n0.591637 0.197005 0.798905 O\n0.591637 0.802995 0.701095 O\n0.070669 0.861851 0.956593 O\n0.081325 0.273521 0.276121 O\n0.740135 0.201451 0.542743 O\n0.179225 0.000000 0.250000 O\n0.243386 0.136406 0.806625 O\n0.584259 0.068508 0.066739 O\n0.929331 0.861851 0.456593 O\n0.259865 0.201451 0.042743 O\n0.756614 0.863594 0.193375 O\n0.421017 0.570365 0.614297 O\n0.679745 0.677392 0.427410 O\n0.243386 0.863594 0.693375 O\n0.408363 0.802995 0.201095 O\n",
"nsites": 66,
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"elements": [
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"chemical_system": "Cu-Mo-O-Zn",
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"formula_full": "Zn6 Cu6 Mo12 O42",
"formula_reduced": "ZnCuMo2O7",
"formula_anonymous": "ABC2D7",
"energy": -478.49005926,
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"spacegroup": 13
},
{
"id": "mp-1178056",
"created_at": "2022-09-04T14:41:54.170941Z",
"structure_string": "Li8 Co12 Sn4 O32\n1.0\n6.014627 6.011260 0.000000\n-6.014627 6.011260 0.000000\n0.000000 0.018759 8.492921\nLi Co Sn O\n8 12 4 32\ndirect\n0.003043 0.752467 0.876616 Li\n0.247533 0.996957 0.123384 Li\n0.250975 0.498039 0.626714 Li\n0.500822 0.252228 0.873182 Li\n0.501961 0.749025 0.373286 Li\n0.747772 0.499178 0.126818 Li\n0.751220 0.002157 0.624293 Li\n0.997843 0.248780 0.375707 Li\n0.113884 0.374080 0.011117 Co\n0.124348 0.615946 0.258498 Co\n0.133545 0.866455 0.500000 Co\n0.365546 0.365304 0.249199 Co\n0.375338 0.114738 0.489044 Co\n0.384054 0.875652 0.741502 Co\n0.616965 0.126608 0.240039 Co\n0.625920 0.886116 0.988883 Co\n0.634696 0.634454 0.750801 Co\n0.868782 0.131218 0.000000 Co\n0.873392 0.383035 0.759961 Co\n0.885262 0.624662 0.510956 Co\n0.124099 0.124771 0.749888 Sn\n0.374982 0.625018 0.000000 Sn\n0.625445 0.374555 0.500000 Sn\n0.875229 0.875901 0.250112 Sn\n0.092453 0.132754 0.997287 O\n0.110738 0.370368 0.774810 O\n0.115046 0.634871 0.490510 O\n0.128426 0.613719 0.021982 O\n0.121317 0.852988 0.263735 O\n0.133332 0.384274 0.239830 O\n0.134475 0.102193 0.504962 O\n0.147012 0.878683 0.736265 O\n0.353326 0.378474 0.012142 O\n0.362094 0.601559 0.246141 O\n0.365129 0.884954 0.509490 O\n0.379226 0.352032 0.487229 O\n0.370204 0.111731 0.729359 O\n0.383529 0.135447 0.257167 O\n0.386281 0.871574 0.978018 O\n0.398441 0.637906 0.753859 O\n0.603150 0.361709 0.253072 O\n0.616076 0.129285 0.476226 O\n0.615726 0.866668 0.760170 O\n0.629632 0.889262 0.225190 O\n0.621526 0.646674 0.987858 O\n0.647928 0.120186 0.006807 O\n0.638291 0.396850 0.746928 O\n0.647968 0.620774 0.512771 O\n0.857686 0.122056 0.226972 O\n0.867246 0.907547 0.002713 O\n0.864553 0.616471 0.742833 O\n0.877944 0.142314 0.773028 O\n0.870715 0.383924 0.523774 O\n0.879814 0.352072 0.993193 O\n0.888269 0.629796 0.270641 O\n0.897807 0.865525 0.495038 O\n",
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"elements": [
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],
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"density_atomic": 0.09118569969160892,
"volume": 614.1313845196412,
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"formula_full": "Li8 Co12 Sn4 O32",
"formula_reduced": "Li2Co3SnO8",
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"energy": -367.84372863,
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{
"id": "mp-28338",
"created_at": "2022-09-04T14:41:54.174721Z",
"structure_string": "Mn16 O56\n1.0\n17.845998 0.000000 0.000000\n0.000000 7.150651 0.000000\n0.000000 1.859260 9.768945\nMn O\n16 56\ndirect\n0.002325 0.215921 0.671376 Mn\n0.502325 0.784079 0.828624 Mn\n0.997675 0.784079 0.328624 Mn\n0.497675 0.215921 0.171376 Mn\n0.002683 0.793415 0.825900 Mn\n0.502683 0.206585 0.674100 Mn\n0.997317 0.206585 0.174100 Mn\n0.497317 0.793415 0.325900 Mn\n0.753470 0.927958 0.109006 Mn\n0.253470 0.072042 0.390994 Mn\n0.246530 0.072042 0.890994 Mn\n0.746530 0.927958 0.609006 Mn\n0.753905 0.350285 0.953718 Mn\n0.253905 0.649715 0.546282 Mn\n0.246095 0.649715 0.046282 Mn\n0.746095 0.350285 0.453718 Mn\n0.053111 0.171689 0.549942 O\n0.553111 0.828311 0.950058 O\n0.946889 0.828311 0.450058 O\n0.446889 0.171689 0.049942 O\n0.939732 0.367997 0.615372 O\n0.439732 0.632003 0.884628 O\n0.060268 0.632003 0.384628 O\n0.560268 0.367997 0.115372 O\n0.053011 0.287631 0.782669 O\n0.553011 0.712369 0.717331 O\n0.946989 0.712369 0.217331 O\n0.446989 0.287631 0.282669 O\n0.056698 0.728414 0.716440 O\n0.556698 0.271586 0.783560 O\n0.943302 0.271586 0.283560 O\n0.443302 0.728414 0.216440 O\n0.792202 0.138411 0.529702 O\n0.292202 0.861589 0.970298 O\n0.207798 0.861589 0.470298 O\n0.707798 0.138411 0.029702 O\n0.695976 0.421069 0.566198 O\n0.195976 0.578931 0.933802 O\n0.304024 0.578931 0.433802 O\n0.804024 0.421069 0.066198 O\n0.808320 0.502925 0.397130 O\n0.308320 0.497075 0.102870 O\n0.191680 0.497075 0.602870 O\n0.691680 0.502925 0.897130 O\n0.694667 0.306653 0.332929 O\n0.194667 0.693347 0.167071 O\n0.305333 0.693347 0.667071 O\n0.805333 0.306653 0.832929 O\n0.691505 0.861811 0.501572 O\n0.191505 0.138189 0.998428 O\n0.308495 0.138189 0.498428 O\n0.808495 0.861811 0.001572 O\n0.808965 0.772148 0.657210 O\n0.308965 0.227852 0.842790 O\n0.191035 0.227852 0.342790 O\n0.691035 0.772148 0.157210 O\n0.700090 0.970970 0.736159 O\n0.200090 0.029030 0.763841 O\n0.299910 0.029030 0.263841 O\n0.799910 0.970970 0.236159 O\n0.543487 0.004240 0.248335 O\n0.043487 0.995760 0.251665 O\n0.456513 0.995760 0.751665 O\n0.956513 0.004240 0.748335 O\n0.449709 0.835502 0.451936 O\n0.949709 0.164498 0.048064 O\n0.550291 0.164498 0.548064 O\n0.050291 0.835502 0.951936 O\n0.559406 0.637197 0.375288 O\n0.059406 0.362803 0.124712 O\n0.440594 0.362803 0.624712 O\n0.940594 0.637197 0.875288 O\n",
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{
"id": "mp-4429",
"created_at": "2022-09-04T14:41:54.178970Z",
"structure_string": "Ca6 Si6 O18\n1.0\n7.151079 0.000000 0.000000\n-0.010388 7.392777 0.000000\n-0.771924 -1.867961 7.766071\nCa Si O\n6 6 18\ndirect\n0.529734 0.750519 0.504284 Ca\n0.470266 0.249481 0.495716 Ca\n0.763076 0.929777 0.204712 Ca\n0.236924 0.070223 0.795288 Ca\n0.759601 0.423967 0.197501 Ca\n0.240399 0.576033 0.802499 Ca\n0.057999 0.723093 0.394829 Si\n0.942001 0.276907 0.605171 Si\n0.270165 0.953874 0.184084 Si\n0.729835 0.046126 0.815916 Si\n0.270562 0.387426 0.184808 Si\n0.729438 0.612574 0.815192 Si\n0.093273 0.511572 0.270453 O\n0.906727 0.488428 0.729547 O\n0.093797 0.870562 0.268603 O\n0.906203 0.129438 0.731397 O\n0.228759 0.179538 0.221355 O\n0.771241 0.820462 0.778645 O\n0.831252 0.725512 0.399267 O\n0.168748 0.274488 0.600733 O\n0.263095 0.868127 0.979591 O\n0.736905 0.131873 0.020409 O\n0.267180 0.371903 0.981936 O\n0.732820 0.628097 0.018064 O\n0.534276 0.536343 0.696250 O\n0.465724 0.463657 0.303750 O\n0.534186 0.063847 0.698932 O\n0.465814 0.936153 0.301068 O\n0.798356 0.231253 0.431063 O\n0.201644 0.768747 0.568937 O\n",
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"formula_full": "Ca6 Si6 O18",
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{
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"structure_string": "La6 Sb10 O24\n1.0\n-5.662060 5.662060 5.662060\n5.662060 -5.662060 5.662060\n5.662060 5.662060 -5.662060\nLa Sb O\n6 10 24\ndirect\n0.250000 0.750000 0.500000 La\n0.750000 0.250000 0.500000 La\n0.750000 0.500000 0.250000 La\n0.250000 0.500000 0.750000 La\n0.500000 0.250000 0.750000 La\n0.500000 0.750000 0.250000 La\n0.501158 0.501158 0.501158 Sb\n0.498842 0.000000 0.000000 Sb\n0.000000 0.498842 0.000000 Sb\n0.000000 0.000000 0.498842 Sb\n0.718227 0.718227 0.000000 Sb\n0.281773 0.281773 0.000000 Sb\n0.718227 0.000000 0.718227 Sb\n0.281773 0.000000 0.281773 Sb\n0.000000 0.718227 0.718227 Sb\n0.000000 0.281773 0.281773 Sb\n0.805341 0.512065 0.512065 O\n0.194659 0.706724 0.706724 O\n0.000000 0.487935 0.293276 O\n0.512065 0.512065 0.805341 O\n0.000000 0.293276 0.487935 O\n0.706724 0.706724 0.194659 O\n0.487935 0.293276 0.000000 O\n0.293276 0.487935 0.000000 O\n0.512065 0.805341 0.512065 O\n0.293276 0.000000 0.487935 O\n0.487935 0.000000 0.293276 O\n0.706724 0.194659 0.706724 O\n0.274645 0.469575 0.469575 O\n0.725355 0.194930 0.194930 O\n0.000000 0.530425 0.805070 O\n0.469575 0.469575 0.274645 O\n0.000000 0.805070 0.530425 O\n0.194930 0.194930 0.725355 O\n0.530425 0.805070 0.000000 O\n0.805070 0.530425 0.000000 O\n0.469575 0.274645 0.469575 O\n0.805070 0.000000 0.530425 O\n0.530425 0.000000 0.805070 O\n0.194930 0.725355 0.194930 O\n",
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{
"id": "mp-1210249",
"created_at": "2022-09-04T14:41:54.194211Z",
"structure_string": "Na10 Ce2 O12\n1.0\n-2.930018 -5.104189 0.507840\n-2.930018 5.104189 0.507840\n-0.030803 0.000000 -11.183084\nNa Ce O\n10 2 12\ndirect\n0.669739 0.829084 0.998566 Na\n0.330261 0.170916 0.001434 Na\n0.170916 0.330261 0.501434 Na\n0.829084 0.669739 0.498566 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.915213 0.084787 0.750000 Na\n0.084787 0.915213 0.250000 Na\n0.581497 0.418503 0.750000 Na\n0.418503 0.581497 0.250000 Na\n0.247831 0.752169 0.750000 Ce\n0.752169 0.247831 0.250000 Ce\n0.577737 0.082135 0.860000 O\n0.422263 0.917865 0.140000 O\n0.917865 0.422263 0.640000 O\n0.082135 0.577737 0.360000 O\n0.790628 0.987330 0.366713 O\n0.209372 0.012670 0.633287 O\n0.012670 0.209372 0.133287 O\n0.987330 0.790628 0.866713 O\n0.507117 0.709935 0.633640 O\n0.492883 0.290065 0.366360 O\n0.290065 0.492883 0.866360 O\n0.709935 0.507117 0.133640 O\n",
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