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{
"id": "mp-862995",
"created_at": "2022-09-04T14:42:05.421620Z",
"structure_string": "Er16 Ga6 Co2\n1.0\n4.969224 -8.606949 0.000000\n4.969224 8.606949 0.000000\n0.000000 0.000000 6.844226\nEr Ga Co\n16 6 2\ndirect\n0.000000 0.000000 0.270108 Er\n0.000000 0.000000 0.770108 Er\n0.173074 0.826926 0.991930 Er\n0.826926 0.173074 0.491930 Er\n0.173074 0.346148 0.991930 Er\n0.653852 0.826926 0.991930 Er\n0.346148 0.173074 0.491930 Er\n0.826926 0.653852 0.491930 Er\n0.333333 0.666667 0.671803 Er\n0.666667 0.333333 0.171803 Er\n0.464610 0.535390 0.292586 Er\n0.535390 0.464610 0.792586 Er\n0.464610 0.929221 0.292586 Er\n0.070779 0.535390 0.292586 Er\n0.929221 0.464610 0.792586 Er\n0.535390 0.070779 0.792586 Er\n0.163575 0.836425 0.539421 Ga\n0.836425 0.163575 0.039421 Ga\n0.163575 0.327150 0.539421 Ga\n0.672850 0.836425 0.539421 Ga\n0.327150 0.163575 0.039421 Ga\n0.836425 0.672850 0.039421 Ga\n0.333333 0.666667 0.059337 Co\n0.666667 0.333333 0.559337 Co\n",
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{
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"structure_string": "Li4 Mn5 P6 W1 O24\n1.0\n8.728336 0.000000 0.000000\n4.001019 7.775633 0.000000\n4.051290 2.499729 7.348101\nLi Mn P W O\n4 5 6 1 24\ndirect\n0.746261 0.153473 0.354162 Li\n0.298075 0.846732 0.648345 Li\n0.637898 0.299492 0.849569 Li\n0.848691 0.640761 0.303818 Li\n0.021131 0.002804 0.001531 Mn\n0.346928 0.351878 0.349260 Mn\n0.487038 0.505224 0.500018 Mn\n0.152485 0.154022 0.151178 Mn\n0.655519 0.657807 0.660665 Mn\n0.055715 0.743140 0.441668 P\n0.441880 0.054170 0.748544 P\n0.747248 0.438067 0.053305 P\n0.247095 0.554195 0.945977 P\n0.562985 0.949746 0.250424 P\n0.932473 0.244154 0.547614 P\n0.853314 0.846619 0.852583 W\n0.464235 0.907397 0.681816 O\n0.676795 0.463363 0.909554 O\n0.911833 0.666999 0.473277 O\n0.055243 0.909006 0.264804 O\n0.000393 0.803560 0.608845 O\n0.245120 0.600728 0.431152 O\n0.255715 0.079903 0.898783 O\n0.457081 0.234523 0.588912 O\n0.167038 0.414114 0.986875 O\n0.605725 0.430965 0.245350 O\n0.103961 0.758077 0.904809 O\n0.404658 0.009576 0.187922 O\n0.599612 0.989706 0.823466 O\n0.898046 0.251218 0.075796 O\n0.403649 0.568584 0.755889 O\n0.815698 0.601392 0.992144 O\n0.572777 0.759183 0.404629 O\n0.758123 0.903655 0.096416 O\n0.750322 0.404426 0.574335 O\n0.941089 0.177459 0.409900 O\n0.905254 0.094260 0.749500 O\n0.102545 0.284180 0.502160 O\n0.303732 0.527928 0.098155 O\n0.566622 0.094515 0.299851 O\n",
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"formula_full": "Li4 Mn5 P6 W1 O24",
"formula_reduced": "Li4Mn5P6WO24",
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"spacegroup": 1
},
{
"id": "mp-13327",
"created_at": "2022-09-04T14:42:04.958637Z",
"structure_string": "Nd2 Lu2 Se6\n1.0\n2.014581 -6.563219 0.000000\n2.014581 6.563219 0.000000\n0.000000 0.000000 9.968252\nNd Lu Se\n2 2 6\ndirect\n0.251621 0.748379 0.750000 Nd\n0.748379 0.251621 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.086679 0.913321 0.250000 Se\n0.913321 0.086679 0.750000 Se\n0.643317 0.356683 0.562122 Se\n0.356683 0.643317 0.437878 Se\n0.643317 0.356683 0.937878 Se\n0.356683 0.643317 0.062122 Se\n",
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{
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"structure_string": "Ti1 F3\n1.0\n3.578647 2.249440 0.000000\n-3.578647 2.249440 0.000000\n0.000000 1.298476 2.260643\nTi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n",
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"updated_at": "2021-11-28T01:35:38.501000Z",
"spacegroup": 12
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{
"id": "mp-18006",
"created_at": "2022-09-04T14:42:04.965655Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n-2.740345 5.877584 6.928991\n2.740345 -5.877584 6.928991\n2.740345 5.877584 -6.928991\nRb Cu Sn S\n4 4 2 8\ndirect\n0.624333 0.771647 0.395979 Rb\n0.875667 0.271647 0.147314 Rb\n0.124333 0.728353 0.852686 Rb\n0.375667 0.228353 0.604021 Rb\n0.024540 0.750000 0.274540 Cu\n0.475460 0.750000 0.725460 Cu\n0.975460 0.250000 0.725460 Cu\n0.524540 0.250000 0.274540 Cu\n0.750000 0.750000 0.000000 Sn\n0.250000 0.250000 0.000000 Sn\n0.718993 0.621553 0.638190 S\n0.781007 0.419197 0.902560 S\n0.516637 0.878447 0.097440 S\n0.983363 0.080803 0.361810 S\n0.281007 0.378447 0.361810 S\n0.218993 0.580803 0.097440 S\n0.016637 0.919197 0.638190 S\n0.483363 0.121553 0.902560 S\n",
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{
"id": "mp-756299",
"created_at": "2022-09-04T14:42:04.966988Z",
"structure_string": "Li8 Hf2 O8\n1.0\n3.747283 -4.122225 0.000000\n3.747283 4.122225 0.000000\n0.000000 0.000000 6.396346\nLi Hf O\n8 2 8\ndirect\n0.843478 0.156522 0.500000 Li\n0.843478 0.156522 0.000000 Li\n0.879924 0.597137 0.250000 Li\n0.402863 0.120076 0.750000 Li\n0.597137 0.879924 0.250000 Li\n0.120076 0.402863 0.750000 Li\n0.156522 0.843478 0.000000 Li\n0.156522 0.843478 0.500000 Li\n0.345550 0.345550 0.250000 Hf\n0.654450 0.654450 0.750000 Hf\n0.685584 0.273981 0.250000 O\n0.726019 0.314416 0.750000 O\n0.202175 0.202175 0.508083 O\n0.202175 0.202175 0.991917 O\n0.797825 0.797825 0.491917 O\n0.797825 0.797825 0.008083 O\n0.314416 0.726019 0.750000 O\n0.273981 0.685584 0.250000 O\n",
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{
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"structure_string": "Yb4 Tl4 S8 O36\n1.0\n0.000000 7.583165 0.000000\n9.157576 0.000000 -5.496400\n-8.688566 0.000000 -4.692241\nYb Tl S O\n4 4 8 36\ndirect\n0.338725 0.951149 0.710078 Yb\n0.661275 0.048851 0.289923 Yb\n0.838725 0.548851 0.789922 Yb\n0.161275 0.451149 0.210078 Yb\n0.324326 0.733767 0.980731 Tl\n0.675674 0.266233 0.019269 Tl\n0.824326 0.766233 0.519269 Tl\n0.175674 0.233767 0.480731 Tl\n0.108984 0.301369 0.852440 S\n0.891016 0.698631 0.147560 S\n0.608984 0.198631 0.647560 S\n0.391016 0.801369 0.352440 S\n0.219905 0.588922 0.597422 S\n0.780095 0.411078 0.402578 S\n0.719905 0.911078 0.902578 S\n0.280095 0.088922 0.097422 S\n0.797543 0.063104 0.999357 O\n0.202457 0.936896 0.000643 O\n0.297543 0.436896 0.500643 O\n0.702457 0.563104 0.499357 O\n0.165639 0.149263 0.762444 O\n0.834361 0.850737 0.237556 O\n0.665639 0.350737 0.737556 O\n0.334361 0.649263 0.262444 O\n0.360136 0.699997 0.654059 O\n0.639864 0.300003 0.345941 O\n0.860136 0.800003 0.845941 O\n0.139864 0.199997 0.154059 O\n0.397977 0.107220 0.988167 O\n0.602023 0.892780 0.011833 O\n0.897977 0.392780 0.511833 O\n0.102023 0.607220 0.488167 O\n0.004220 0.915082 0.685882 O\n0.995780 0.084918 0.314119 O\n0.504220 0.584918 0.814118 O\n0.495780 0.415082 0.185882 O\n0.249162 0.400071 0.954915 O\n0.750838 0.599929 0.045085 O\n0.749162 0.099929 0.545085 O\n0.250838 0.900071 0.454915 O\n0.959128 0.324957 0.964738 O\n0.040872 0.675043 0.035262 O\n0.459128 0.175043 0.535262 O\n0.540872 0.824957 0.464738 O\n0.047826 0.346383 0.737464 O\n0.952174 0.653617 0.262536 O\n0.547826 0.153617 0.762536 O\n0.452174 0.846383 0.237464 O\n0.623949 0.896649 0.764126 O\n0.376051 0.103351 0.235874 O\n0.123949 0.603351 0.735874 O\n0.876051 0.396649 0.264126 O\n",
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{
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"structure_string": "Rb2 Hf2 O5\n1.0\n4.061971 0.000000 0.000000\n0.000000 4.061971 0.000000\n0.000000 0.000000 9.136536\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.279838 Hf\n0.500000 0.500000 0.720162 Hf\n0.500000 0.000000 0.235203 O\n0.500000 0.000000 0.764797 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.235203 O\n0.000000 0.500000 0.764797 O\n",
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{
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"elements": [
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],
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"volume": 2355.006807477472,
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"formula_full": "Nd28 Cl66",
"formula_reduced": "Nd14Cl33",
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"updated_at": "2021-11-28T01:35:53.701000Z",
"spacegroup": 2
},
{
"id": "mp-1045940",
"created_at": "2022-09-04T14:42:04.974791Z",
"structure_string": "Ca4 Ta4 Sn2 O16\n1.0\n3.386222 10.165473 0.000000\n-3.386222 10.165473 0.000000\n0.000000 0.020483 5.501747\nCa Ta Sn O\n4 4 2 16\ndirect\n0.568549 0.863224 0.249853 Ca\n0.136776 0.431451 0.250147 Ca\n0.431451 0.136776 0.750147 Ca\n0.863224 0.568549 0.749853 Ca\n0.734240 0.019564 0.253947 Ta\n0.980436 0.265760 0.246053 Ta\n0.265760 0.980436 0.746053 Ta\n0.019564 0.734240 0.753947 Ta\n0.313960 0.686040 0.250000 Sn\n0.686040 0.313960 0.750000 Sn\n0.825142 0.018232 0.931636 O\n0.981768 0.174858 0.568364 O\n0.174858 0.981768 0.068364 O\n0.018232 0.825142 0.431636 O\n0.601978 0.258856 0.393169 O\n0.741144 0.398022 0.106831 O\n0.398022 0.741144 0.606831 O\n0.258856 0.601978 0.893169 O\n0.734723 0.890544 0.526631 O\n0.109456 0.265277 0.973369 O\n0.141863 0.478499 0.645111 O\n0.521501 0.858137 0.854889 O\n0.858137 0.521501 0.354889 O\n0.478499 0.141863 0.145111 O\n0.890544 0.734723 0.026631 O\n0.265277 0.109456 0.473369 O\n",
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{
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}
]
}