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{
"id": "mp-1220319",
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"structure_string": "Nd10 Si18 Au2\n1.0\n4.171342 0.000000 0.000000\n0.000000 4.240536 0.000000\n2.085671 2.120268 35.489047\nNd Si Au\n10 18 2\ndirect\n0.950667 0.450667 0.098666 Nd\n0.349711 0.849711 0.300579 Nd\n0.751071 0.251071 0.497858 Nd\n0.149339 0.649339 0.701322 Nd\n0.547810 0.047810 0.904381 Nd\n0.000113 0.000113 0.999775 Nd\n0.400629 0.400629 0.198741 Nd\n0.800078 0.800078 0.399844 Nd\n0.202372 0.202372 0.595256 Nd\n0.601559 0.601559 0.796881 Nd\n0.467479 0.967479 0.065043 Si\n0.866830 0.366830 0.266339 Si\n0.267310 0.767310 0.465380 Si\n0.666938 0.166938 0.666124 Si\n0.066012 0.566012 0.867976 Si\n0.917297 0.917297 0.165407 Si\n0.316316 0.316316 0.367368 Si\n0.717837 0.717837 0.564325 Si\n0.116784 0.116784 0.766432 Si\n0.516280 0.516280 0.967439 Si\n0.434204 0.934204 0.131591 Si\n0.833112 0.333112 0.333777 Si\n0.234172 0.734172 0.531657 Si\n0.633929 0.133929 0.732141 Si\n0.033065 0.533065 0.933871 Si\n0.483368 0.483368 0.033264 Si\n0.883508 0.883508 0.232984 Si\n0.283148 0.283148 0.433703 Si\n0.683719 0.683719 0.632561 Au\n0.082542 0.082542 0.834915 Au\n",
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"spacegroup": 44
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{
"id": "mp-1213201",
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"structure_string": "Er10 Sb2 Pt4\n1.0\n-3.840046 3.840046 6.815747\n3.840046 -3.840046 6.815747\n3.840046 3.840046 -6.815747\nEr Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Er\n0.798388 0.298388 0.820494 Er\n0.201612 0.701612 0.179506 Er\n0.477893 0.977893 0.179506 Er\n0.298388 0.477893 0.500000 Er\n0.022107 0.201612 0.500000 Er\n0.522107 0.022107 0.820494 Er\n0.701612 0.522107 0.500000 Er\n0.977893 0.798388 0.500000 Er\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.135348 0.635348 0.770696 Pt\n0.864652 0.364652 0.229304 Pt\n0.635348 0.864652 0.500000 Pt\n0.364652 0.135348 0.500000 Pt\n",
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"elements": [
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"density": 11.137674432275567,
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"volume": 402.01874737888915,
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"formula_full": "Er10 Sb2 Pt4",
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},
{
"id": "mp-1101651",
"created_at": "2022-09-04T14:42:58.850991Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.607023 0.000000 0.000000\n0.061442 8.590143 0.000000\n0.066544 0.392526 9.974373\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.746712 0.084685 0.876731 Na\n0.002638 0.251292 0.124132 Na\n0.738714 0.087723 0.376540 Li\n0.981199 0.269860 0.610889 Li\n0.522933 0.271376 0.614935 Li\n0.517302 0.272565 0.115844 Li\n0.478403 0.729013 0.888071 Li\n0.022835 0.727695 0.887956 Li\n0.486123 0.734167 0.385852 Li\n0.012898 0.734873 0.384464 Li\n0.250606 0.906476 0.625165 Li\n0.260958 0.906006 0.127447 Li\n0.254546 0.353603 0.884416 Fe\n0.250246 0.347785 0.392806 Fe\n0.748504 0.656106 0.613213 Fe\n0.749995 0.647770 0.111996 Fe\n0.750536 0.417955 0.849587 P\n0.744383 0.410807 0.356036 P\n0.249523 0.593258 0.644836 P\n0.253999 0.590916 0.145459 P\n0.251562 0.041762 0.864003 C\n0.253167 0.040842 0.364996 C\n0.750072 0.961169 0.627542 C\n0.741143 0.944885 0.145994 C\n0.753699 0.109984 0.644084 O\n0.722665 0.092958 0.164704 O\n0.248767 0.081520 0.988088 O\n0.250101 0.083381 0.488214 O\n0.257684 0.150241 0.768837 O\n0.259705 0.147585 0.268460 O\n0.940243 0.324588 0.895308 O\n0.568426 0.322737 0.906658 O\n0.934732 0.312039 0.396493 O\n0.564578 0.311758 0.412366 O\n0.742669 0.426308 0.692367 O\n0.250154 0.423613 0.595470 O\n0.730109 0.425668 0.199527 O\n0.269826 0.425600 0.089141 O\n0.749250 0.587549 0.898883 O\n0.249724 0.582329 0.802021 O\n0.748668 0.576870 0.410249 O\n0.246855 0.574713 0.302150 O\n0.432717 0.690779 0.592791 O\n0.064303 0.689799 0.593655 O\n0.433257 0.696282 0.098034 O\n0.065772 0.682381 0.092315 O\n0.748550 0.863344 0.730789 O\n0.752685 0.846588 0.247839 O\n0.747724 0.906761 0.508411 O\n0.748953 0.890322 0.026627 O\n0.248974 0.896597 0.832473 O\n0.250214 0.895121 0.335136 O\n",
"nsites": 52,
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"elements": [
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"density": 2.812132264725179,
"density_atomic": 0.0918568453694383,
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"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
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"spacegroup": 1
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{
"id": "mp-555993",
"created_at": "2022-09-04T14:42:58.856000Z",
"structure_string": "Cr2 Ag6 Cl2 O8\n1.0\n7.475634 0.000000 0.000000\n0.000000 7.475634 0.000000\n0.000000 0.000000 5.370697\nCr Ag Cl O\n2 6 2 8\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.103891 Ag\n0.750000 0.250000 0.500000 Ag\n0.750000 0.750000 0.500000 Ag\n0.000000 0.500000 0.896109 Ag\n0.250000 0.750000 0.500000 Ag\n0.250000 0.250000 0.500000 Ag\n0.000000 0.500000 0.372392 Cl\n0.500000 0.000000 0.627608 Cl\n0.500000 0.318764 0.186251 O\n0.181236 0.000000 0.186251 O\n0.500000 0.681236 0.186251 O\n0.818764 0.000000 0.186251 O\n0.681236 0.500000 0.813749 O\n0.000000 0.181236 0.813749 O\n0.000000 0.818764 0.813749 O\n0.318764 0.500000 0.813749 O\n",
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"elements": [
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"density_atomic": 0.05997162166915553,
"volume": 300.141958796784,
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"formula_full": "Cr2 Ag6 Cl2 O8",
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"updated_at": "2021-11-28T01:35:59.039000Z",
"spacegroup": 129
},
{
"id": "mp-1183067",
"created_at": "2022-09-04T14:42:58.865340Z",
"structure_string": "Ac2 Zn1 Hg1\n1.0\n0.000000 3.987525 3.987525\n3.987525 0.000000 3.987525\n3.987525 3.987525 0.000000\nAc Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
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],
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"density": 9.428459465946883,
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"formula_full": "Ac2 Zn1 Hg1",
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{
"id": "mp-1306705",
"created_at": "2022-09-04T14:42:58.866501Z",
"structure_string": "Ta4 Mn4 O16\n1.0\n4.689034 -0.041860 4.937777\n4.918582 -5.938929 -0.264957\n4.748143 -0.288335 -5.190628\nTa Mn O\n4 4 16\ndirect\n0.700827 0.332607 0.453736 Ta\n0.201019 0.332638 0.953761 Ta\n0.798983 0.667360 0.046241 Ta\n0.299173 0.667389 0.546265 Ta\n0.704679 0.844168 0.451815 Mn\n0.295319 0.155834 0.548180 Mn\n0.204659 0.844354 0.951724 Mn\n0.795341 0.155642 0.048279 Mn\n0.462977 0.885532 0.877743 O\n0.962983 0.885646 0.377607 O\n0.037014 0.114356 0.622390 O\n0.537028 0.114466 0.122258 O\n0.916776 0.866858 0.983306 O\n0.416962 0.866847 0.483219 O\n0.583038 0.133155 0.516781 O\n0.083227 0.133143 0.016693 O\n0.367676 0.619921 0.289044 O\n0.867707 0.619980 0.788954 O\n0.132291 0.380020 0.211048 O\n0.632324 0.380081 0.710954 O\n0.773627 0.604757 0.339863 O\n0.273584 0.604755 0.839893 O\n0.726415 0.395245 0.160108 O\n0.226372 0.395243 0.660138 O\n",
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{
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"structure_string": "Cr4 Ni2 O8\n1.0\n-1.676448 4.911955 -2.957693\n5.159826 -0.069431 3.088553\n5.191663 -0.014153 -2.949421\nCr Ni O\n4 2 8\ndirect\n0.500252 0.999250 0.000583 Cr\n0.000858 0.500673 0.499236 Cr\n0.999906 0.498895 0.000088 Cr\n0.999817 0.000659 0.999934 Cr\n0.629099 0.749088 0.625844 Ni\n0.373298 0.248852 0.379188 Ni\n0.758526 0.470495 0.763148 O\n0.761548 0.027665 0.755721 O\n0.761053 0.025239 0.217258 O\n0.241797 0.524765 0.236101 O\n0.782983 0.526674 0.234972 O\n0.238332 0.978475 0.239424 O\n0.218198 0.478184 0.760054 O\n0.234333 0.971088 0.788449 O\n",
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{
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"structure_string": "Ta1 Tl6 V1 S8\n1.0\n7.756439 0.000000 0.000000\n0.000000 7.756439 0.000000\n0.000000 0.000000 7.756439\nTa Tl V S\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 V\n0.338395 0.338395 0.661605 S\n0.829770 0.829770 0.170230 S\n0.338395 0.661605 0.338395 S\n0.829770 0.170230 0.829770 S\n0.170230 0.829770 0.829770 S\n0.661605 0.338395 0.338395 S\n0.661605 0.661605 0.661605 S\n0.170230 0.170230 0.170230 S\n",
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"volume": 466.6455665412289,
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{
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"structure_string": "K8 Si8 O24\n1.0\n11.007972 0.000000 0.000000\n0.000000 7.838720 0.000000\n0.000000 6.852728 7.781422\nK Si O\n8 8 24\ndirect\n0.251132 0.001748 0.985228 K\n0.248868 0.001748 0.485228 K\n0.748868 0.998252 0.014772 K\n0.751132 0.998252 0.514772 K\n0.476223 0.500992 0.820921 K\n0.023777 0.500992 0.320921 K\n0.523777 0.499008 0.179079 K\n0.976223 0.499008 0.679079 K\n0.313320 0.501223 0.491843 Si\n0.186680 0.501223 0.991843 Si\n0.686680 0.498777 0.508157 Si\n0.813320 0.498777 0.008157 Si\n0.499863 0.893658 0.303644 Si\n0.000137 0.893658 0.803644 Si\n0.500137 0.106342 0.696356 Si\n0.999863 0.106342 0.196356 Si\n0.173816 0.494306 0.544093 O\n0.326184 0.494306 0.044093 O\n0.826184 0.505694 0.455907 O\n0.673816 0.505694 0.955907 O\n0.386353 0.727417 0.434891 O\n0.113647 0.727417 0.934891 O\n0.613647 0.272583 0.565109 O\n0.886353 0.272583 0.065109 O\n0.390921 0.281340 0.658324 O\n0.109079 0.281340 0.158324 O\n0.609079 0.718660 0.341676 O\n0.890921 0.718660 0.841676 O\n0.291376 0.498762 0.338522 O\n0.208624 0.498762 0.838522 O\n0.708624 0.501238 0.661478 O\n0.791376 0.501238 0.161478 O\n0.463633 0.062272 0.102535 O\n0.036367 0.062272 0.602535 O\n0.536367 0.937728 0.897465 O\n0.963633 0.937728 0.397465 O\n0.538813 0.059723 0.337689 O\n0.961187 0.059723 0.837689 O\n0.461187 0.940277 0.662311 O\n0.038813 0.940277 0.162311 O\n",
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{
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}