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{
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{
"id": "mp-775145",
"created_at": "2022-09-04T14:40:57.462611Z",
"structure_string": "Li4 Nb3 Cu3 Sn2 O16\n1.0\n6.222076 0.077991 0.140913\n-3.043511 5.270944 -0.000322\n0.229437 0.131834 9.999549\nLi Nb Cu Sn O\n4 3 3 2 16\ndirect\n0.339494 0.669795 0.913282 Li\n0.003513 0.001867 0.997547 Li\n0.045947 0.022874 0.478315 Li\n0.686327 0.343197 0.387093 Li\n0.660500 0.830259 0.219360 Nb\n0.820294 0.658122 0.712958 Nb\n0.820161 0.162324 0.712736 Nb\n0.171003 0.828799 0.208492 Cu\n0.171068 0.342246 0.208510 Cu\n0.353276 0.176470 0.717584 Cu\n0.303501 0.651743 0.477842 Sn\n0.634751 0.317317 0.000631 Sn\n0.142698 0.821480 0.596143 O\n0.044936 0.522495 0.333479 O\n0.347319 0.673731 0.111612 O\n0.998646 0.999276 0.295479 O\n0.979517 0.989857 0.808462 O\n0.142707 0.321220 0.596170 O\n0.520684 0.975291 0.358061 O\n0.520455 0.545187 0.357974 O\n0.298059 0.149016 0.094696 O\n0.666065 0.833034 0.610127 O\n0.537305 0.500492 0.846652 O\n0.537386 0.036800 0.846671 O\n0.711002 0.355564 0.596979 O\n0.793764 0.655257 0.094552 O\n0.955812 0.477971 0.831792 O\n0.793810 0.138617 0.094640 O\n",
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{
"id": "mp-1183136",
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"structure_string": "Al2 Os1 Rh1\n1.0\n0.000000 3.013295 3.013295\n3.013295 0.000000 3.013295\n3.013295 3.013295 0.000000\nAl Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
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"updated_at": "2021-11-28T01:35:02.202000Z",
"spacegroup": 225
},
{
"id": "mp-1035311",
"created_at": "2022-09-04T14:40:57.510086Z",
"structure_string": "Mg14 Cr1 Cu1 O16\n1.0\n8.552615 0.000000 0.000000\n0.000000 8.552615 0.000000\n0.000000 0.000000 4.247811\nMg Cr Cu O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.247000 0.500000 Mg\n0.000000 0.753000 0.500000 Mg\n0.500000 0.247293 0.500000 Mg\n0.500000 0.752707 0.500000 Mg\n0.247000 0.000000 0.500000 Mg\n0.247293 0.500000 0.500000 Mg\n0.753000 0.000000 0.500000 Mg\n0.752707 0.500000 0.500000 Mg\n0.245373 0.245373 0.000000 Mg\n0.245373 0.754627 0.000000 Mg\n0.754627 0.245373 0.000000 Mg\n0.754627 0.754627 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.263263 0.000000 0.000000 O\n0.256946 0.500000 0.000000 O\n0.736737 0.000000 0.000000 O\n0.743054 0.500000 0.000000 O\n0.250529 0.250529 0.500000 O\n0.250529 0.749471 0.500000 O\n0.749471 0.250529 0.500000 O\n0.749471 0.749471 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.263263 0.000000 O\n0.000000 0.736737 0.000000 O\n0.500000 0.256946 0.000000 O\n0.500000 0.743054 0.000000 O\n",
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"formula_full": "Mg14 Cr1 Cu1 O16",
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{
"id": "mp-703517",
"created_at": "2022-09-04T14:40:57.520056Z",
"structure_string": "Na2 Mg2 P2 H24 O22\n1.0\n6.858645 0.000000 0.000000\n0.000000 6.858645 0.000000\n0.000000 0.000000 10.941388\nNa Mg P H O\n2 2 2 24 22\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.750000 P\n0.000000 0.000000 0.250000 P\n0.191761 0.217751 0.571133 H\n0.808239 0.782249 0.571133 H\n0.782249 0.191761 0.071133 H\n0.217751 0.808239 0.071133 H\n0.808239 0.217751 0.428867 H\n0.191761 0.782249 0.428867 H\n0.217751 0.191761 0.928867 H\n0.782249 0.808239 0.928867 H\n0.808239 0.782249 0.428867 H\n0.191761 0.217751 0.428867 H\n0.217751 0.808239 0.928867 H\n0.782249 0.191761 0.928867 H\n0.191761 0.782249 0.571133 H\n0.808239 0.217751 0.571133 H\n0.782249 0.808239 0.071133 H\n0.217751 0.191761 0.071133 H\n0.382169 0.000000 0.743021 H\n0.617831 0.000000 0.743021 H\n0.000000 0.382169 0.243021 H\n0.000000 0.617831 0.243021 H\n0.617831 0.000000 0.256979 H\n0.382169 0.000000 0.256979 H\n0.000000 0.382169 0.756979 H\n0.000000 0.617831 0.756979 H\n0.185879 0.000000 0.831395 O\n0.814121 0.000000 0.831395 O\n0.000000 0.185879 0.331395 O\n0.000000 0.814121 0.331395 O\n0.814121 0.000000 0.168605 O\n0.185879 0.000000 0.168605 O\n0.000000 0.185879 0.668605 O\n0.000000 0.814121 0.668605 O\n0.283978 0.226415 0.500000 O\n0.716022 0.773585 0.500000 O\n0.773585 0.283978 0.000000 O\n0.226415 0.716022 0.000000 O\n0.716022 0.226415 0.500000 O\n0.283978 0.773585 0.500000 O\n0.226415 0.283978 0.000000 O\n0.773585 0.716022 0.000000 O\n0.500000 0.000000 0.688057 O\n0.000000 0.500000 0.188057 O\n0.500000 0.000000 0.311943 O\n0.000000 0.500000 0.811943 O\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n",
"nsites": 52,
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"formula_full": "Na2 Mg2 P2 H24 O22",
"formula_reduced": "NaMgPH12O11",
"formula_anonymous": "ABCD11E12",
"energy": -288.25476028,
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"spacegroup": 131
},
{
"id": "mp-1221291",
"created_at": "2022-09-04T14:40:57.524783Z",
"structure_string": "Na3 Nb6 Bi5 O24\n1.0\n-5.559244 0.000000 0.000000\n0.034103 5.611152 0.000000\n-0.010363 -2.782945 -16.616308\nNa Nb Bi O\n3 6 5 24\ndirect\n0.491568 0.580263 0.133175 Na\n0.505953 0.445742 0.878189 Na\n0.007201 0.077880 0.132732 Na\n0.503199 0.903137 0.752549 Nb\n0.500656 0.149992 0.249107 Nb\n0.008974 0.392417 0.751065 Nb\n0.002003 0.649319 0.249261 Nb\n0.504677 0.017712 0.005638 Nb\n0.994986 0.510025 0.006546 Nb\n0.011252 0.904380 0.874740 Bi\n0.464196 0.749538 0.422861 Bi\n0.534167 0.324416 0.574162 Bi\n0.035558 0.248024 0.422574 Bi\n0.965838 0.822520 0.573857 Bi\n0.239126 0.278454 0.016224 O\n0.750704 0.263562 0.974178 O\n0.254873 0.782263 0.015983 O\n0.751142 0.768052 0.975731 O\n0.578641 0.856481 0.641439 O\n0.422628 0.221463 0.360486 O\n0.914032 0.364290 0.641753 O\n0.076045 0.721661 0.360606 O\n0.249383 0.540688 0.501848 O\n0.748713 0.038738 0.497003 O\n0.247767 0.039329 0.501546 O\n0.749926 0.538403 0.496262 O\n0.416468 0.988525 0.879016 O\n0.573712 0.107276 0.116646 O\n0.078429 0.512467 0.877389 O\n0.920328 0.601683 0.116264 O\n0.221319 0.385313 0.220914 O\n0.790736 0.150818 0.780770 O\n0.275307 0.884833 0.220457 O\n0.718297 0.661296 0.782236 O\n0.301411 0.217887 0.741736 O\n0.712078 0.462148 0.254638 O\n0.193498 0.727300 0.746263 O\n0.785209 0.961706 0.254154 O\n",
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{
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"structure_string": "Y2 Ti2 Si2\n1.0\n4.037166 0.000000 0.000000\n0.000000 4.037166 0.000000\n0.000000 0.000000 7.595139\nY Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344301 Y\n0.500000 0.000000 0.655699 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.763440 Si\n0.500000 0.000000 0.236560 Si\n",
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{
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"structure_string": "Te2 O6\n1.0\n4.540508 2.619598 0.000000\n-4.540508 2.619598 0.000000\n0.000000 1.407318 5.194574\nTe O\n2 6\ndirect\n0.666701 0.333299 0.000000 Te\n0.333299 0.666701 0.000000 Te\n0.564329 0.942893 0.212577 O\n0.678679 0.678679 0.787225 O\n0.435671 0.057107 0.787423 O\n0.942893 0.564329 0.212577 O\n0.057107 0.435671 0.787423 O\n0.321321 0.321321 0.212775 O\n",
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{
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{
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}