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{
"id": "mp-1209387",
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"structure_string": "Rb10 In2 Mo8 O32\n1.0\n8.166384 0.000000 0.000000\n0.000000 11.357633 0.000000\n0.000000 4.695999 10.666847\nRb In Mo O\n10 2 8 32\ndirect\n0.349185 0.844371 0.102942 Rb\n0.650815 0.155629 0.897058 Rb\n0.349185 0.655629 0.897058 Rb\n0.650815 0.344371 0.102942 Rb\n0.868047 0.354691 0.593717 Rb\n0.131953 0.645309 0.406283 Rb\n0.868047 0.145309 0.406283 Rb\n0.131953 0.854691 0.593717 Rb\n0.610590 0.750000 0.500000 Rb\n0.389410 0.250000 0.500000 Rb\n0.913876 0.750000 0.000000 In\n0.086124 0.250000 0.000000 In\n0.660339 0.557824 0.282646 Mo\n0.339661 0.442176 0.717354 Mo\n0.660339 0.942176 0.717354 Mo\n0.339661 0.057824 0.282646 Mo\n0.854356 0.944177 0.194722 Mo\n0.145644 0.055823 0.805278 Mo\n0.854356 0.555823 0.805278 Mo\n0.145644 0.444177 0.194722 Mo\n0.891501 0.118118 0.114251 O\n0.108499 0.881882 0.885749 O\n0.891501 0.381882 0.885749 O\n0.108499 0.618118 0.114251 O\n0.722425 0.623944 0.114557 O\n0.277575 0.376056 0.885443 O\n0.722425 0.876056 0.885443 O\n0.277575 0.123944 0.114557 O\n0.907111 0.893842 0.355152 O\n0.092889 0.106158 0.644848 O\n0.907111 0.606158 0.644848 O\n0.092889 0.393842 0.355152 O\n0.458376 0.605539 0.304486 O\n0.541624 0.394461 0.695514 O\n0.458376 0.894461 0.695514 O\n0.541624 0.105539 0.304486 O\n0.970026 0.851629 0.125026 O\n0.029974 0.148371 0.874974 O\n0.970026 0.648371 0.874974 O\n0.029974 0.351629 0.125026 O\n0.643632 0.919376 0.178180 O\n0.356368 0.080624 0.821820 O\n0.643632 0.580624 0.821820 O\n0.356368 0.419376 0.178180 O\n0.324405 0.886096 0.346777 O\n0.675595 0.113904 0.653223 O\n0.324405 0.613904 0.653223 O\n0.675595 0.386096 0.346777 O\n0.794094 0.611656 0.371605 O\n0.205906 0.388344 0.628395 O\n0.794094 0.888344 0.628395 O\n0.205906 0.111656 0.371605 O\n",
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"updated_at": "2021-11-28T01:36:20.499000Z",
"spacegroup": 13
},
{
"id": "mp-504506",
"created_at": "2022-09-04T14:39:19.059218Z",
"structure_string": "Rb1 In1 Mo2 O8\n1.0\n2.973546 -5.150333 0.000000\n2.973546 5.150333 0.000000\n0.000000 0.000000 7.886453\nRb In Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.763232 Mo\n0.333333 0.666667 0.236768 Mo\n0.332049 0.166025 0.833120 O\n0.833975 0.166025 0.833120 O\n0.833975 0.667951 0.833120 O\n0.166025 0.833975 0.166880 O\n0.333333 0.666667 0.458547 O\n0.666667 0.333333 0.541453 O\n0.166025 0.332049 0.166880 O\n0.667951 0.833975 0.166880 O\n",
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"formula_full": "Rb1 In1 Mo2 O8",
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"energy": -89.95783602,
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},
{
"id": "mp-1203914",
"created_at": "2022-09-04T14:44:19.892011Z",
"structure_string": "Rb4 In4 P8 O32\n1.0\n8.655107 0.000000 0.000000\n0.000000 9.762033 0.000000\n0.000000 4.408448 8.830828\nRb In P O\n4 4 8 32\ndirect\n0.366136 0.087752 0.825384 Rb\n0.866136 0.412248 0.174616 Rb\n0.633864 0.912248 0.174616 Rb\n0.133864 0.587752 0.825384 Rb\n0.625049 0.492033 0.744300 In\n0.125049 0.007967 0.255700 In\n0.374951 0.507967 0.255700 In\n0.874951 0.992033 0.744300 In\n0.674867 0.326701 0.511777 P\n0.174867 0.173299 0.488223 P\n0.325133 0.673299 0.488223 P\n0.825133 0.826701 0.511777 P\n0.569248 0.733521 0.907016 P\n0.069248 0.766479 0.092984 P\n0.430752 0.266479 0.092984 P\n0.930752 0.233521 0.907016 P\n0.585410 0.343998 0.637913 O\n0.085410 0.156002 0.362087 O\n0.414590 0.656002 0.362087 O\n0.914590 0.843998 0.637913 O\n0.580588 0.379800 0.364914 O\n0.080588 0.120200 0.635086 O\n0.419412 0.620200 0.635086 O\n0.919412 0.879800 0.364914 O\n0.732395 0.159549 0.561443 O\n0.232395 0.340451 0.438557 O\n0.267605 0.840451 0.438557 O\n0.767605 0.659549 0.561443 O\n0.662928 0.904344 0.478778 O\n0.162928 0.595656 0.521222 O\n0.337072 0.095656 0.521222 O\n0.837072 0.404344 0.478778 O\n0.664374 0.881144 0.859500 O\n0.164374 0.618856 0.140500 O\n0.335626 0.118856 0.140500 O\n0.835626 0.381144 0.859500 O\n0.520676 0.680344 0.075415 O\n0.020676 0.819656 0.924585 O\n0.479324 0.319656 0.924585 O\n0.979324 0.180344 0.075415 O\n0.656655 0.609281 0.883173 O\n0.156655 0.890719 0.116827 O\n0.343345 0.390719 0.116827 O\n0.843345 0.109281 0.883173 O\n0.595875 0.232382 0.163346 O\n0.095875 0.267618 0.836654 O\n0.404125 0.767618 0.836654 O\n0.904125 0.732382 0.163346 O\n",
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"formula_full": "Rb4 In4 P8 O32",
"formula_reduced": "RbIn(PO4)2",
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{
"id": "mp-557952",
"created_at": "2022-09-04T14:46:25.159398Z",
"structure_string": "Rb4 In4 P8 O28\n1.0\n10.571807 0.000000 0.000000\n0.000000 7.649764 0.000000\n0.000000 2.301867 8.335227\nRb In P O\n4 4 8 28\ndirect\n0.315307 0.686046 0.948139 Rb\n0.684693 0.313954 0.051861 Rb\n0.815307 0.313954 0.551861 Rb\n0.184693 0.686046 0.448139 Rb\n0.400117 0.263421 0.756543 In\n0.099883 0.263421 0.256543 In\n0.599883 0.736579 0.243457 In\n0.900117 0.736579 0.743457 In\n0.135969 0.062365 0.687313 P\n0.903252 0.632098 0.174648 P\n0.096748 0.367902 0.825352 P\n0.364031 0.062365 0.187313 P\n0.635969 0.937635 0.812687 P\n0.403252 0.367902 0.325352 P\n0.596748 0.632098 0.674648 P\n0.864031 0.937635 0.312687 P\n0.587683 0.641684 0.498651 O\n0.496546 0.508097 0.777992 O\n0.777449 0.953600 0.769315 O\n0.222551 0.046400 0.230685 O\n0.581018 0.130134 0.768814 O\n0.918982 0.130134 0.268814 O\n0.003454 0.508097 0.277992 O\n0.081018 0.869866 0.731186 O\n0.395204 0.175110 0.018426 O\n0.729202 0.576505 0.745271 O\n0.229202 0.423495 0.754729 O\n0.277449 0.046400 0.730685 O\n0.066394 0.164862 0.807701 O\n0.933606 0.835138 0.192299 O\n0.912317 0.641684 0.998651 O\n0.722551 0.953600 0.269315 O\n0.770798 0.576505 0.245271 O\n0.433606 0.164862 0.307701 O\n0.996546 0.491903 0.722008 O\n0.895204 0.824890 0.481574 O\n0.412317 0.358316 0.501349 O\n0.566394 0.835138 0.692299 O\n0.087683 0.358316 0.001349 O\n0.604796 0.824890 0.981574 O\n0.270798 0.423495 0.254729 O\n0.503454 0.491903 0.222008 O\n0.104796 0.175110 0.518426 O\n0.418982 0.869866 0.231186 O\n",
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{
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"structure_string": "Rb24 In8 P16 O64\n1.0\n11.810315 0.000000 0.000000\n0.000000 10.122342 0.000000\n0.000000 10.012448 16.215121\nRb In P O\n24 8 16 64\ndirect\n0.878602 0.195270 0.508523 Rb\n0.136484 0.428496 0.757178 Rb\n0.621398 0.195270 0.008523 Rb\n0.915552 0.715450 0.671643 Rb\n0.121398 0.804730 0.491477 Rb\n0.400176 0.043578 0.745770 Rb\n0.605591 0.762498 0.499685 Rb\n0.636484 0.571504 0.742822 Rb\n0.878481 0.680795 0.417422 Rb\n0.415552 0.284550 0.828357 Rb\n0.584448 0.715450 0.171643 Rb\n0.099824 0.043578 0.245770 Rb\n0.105591 0.237502 0.000315 Rb\n0.900176 0.956422 0.754230 Rb\n0.121519 0.319205 0.582578 Rb\n0.378481 0.319205 0.082578 Rb\n0.863516 0.571504 0.242822 Rb\n0.084448 0.284550 0.328357 Rb\n0.621519 0.680795 0.917422 Rb\n0.394409 0.237502 0.500315 Rb\n0.378602 0.804730 0.991477 Rb\n0.894409 0.762498 0.999685 Rb\n0.599824 0.956422 0.254230 Rb\n0.363516 0.428496 0.257178 Rb\n0.368564 0.790932 0.631528 In\n0.631436 0.209068 0.368472 In\n0.652515 0.312558 0.614124 In\n0.152515 0.687442 0.885876 In\n0.347485 0.687442 0.385876 In\n0.131436 0.790932 0.131528 In\n0.868564 0.209068 0.868472 In\n0.847485 0.312558 0.114124 In\n0.638150 0.420023 0.145216 P\n0.878654 0.520383 0.898542 P\n0.861850 0.420023 0.645216 P\n0.138150 0.579977 0.354784 P\n0.121346 0.479617 0.101458 P\n0.365795 0.009014 0.405695 P\n0.341576 0.893027 0.162798 P\n0.634205 0.990986 0.594305 P\n0.361850 0.579977 0.854784 P\n0.378654 0.479617 0.601458 P\n0.158424 0.893027 0.662798 P\n0.658424 0.106973 0.837202 P\n0.621346 0.520383 0.398542 P\n0.134205 0.009014 0.905695 P\n0.841576 0.106973 0.337202 P\n0.865795 0.990986 0.094305 P\n0.088833 0.881072 0.890344 O\n0.065737 0.004421 0.606138 O\n0.455153 0.468940 0.911639 O\n0.927472 0.397225 0.880282 O\n0.179568 0.755792 0.647021 O\n0.955153 0.531060 0.588361 O\n0.605302 0.368068 0.235536 O\n0.800115 0.635313 0.828802 O\n0.040966 0.138020 0.873784 O\n0.344309 0.722625 0.865657 O\n0.651992 0.059794 0.500176 O\n0.588833 0.118928 0.609656 O\n0.155691 0.722625 0.365657 O\n0.981256 0.607364 0.907024 O\n0.151992 0.940206 0.999824 O\n0.565737 0.995579 0.893862 O\n0.721833 0.026830 0.354553 O\n0.880638 0.177106 0.246302 O\n0.699885 0.635313 0.328802 O\n0.300115 0.364687 0.671198 O\n0.394698 0.631932 0.764464 O\n0.119362 0.822894 0.753698 O\n0.894698 0.368068 0.735536 O\n0.221833 0.973170 0.145447 O\n0.072528 0.602775 0.119718 O\n0.741722 0.501790 0.623194 O\n0.934263 0.995579 0.393862 O\n0.044847 0.468940 0.411639 O\n0.105302 0.631932 0.264464 O\n0.434263 0.004421 0.106138 O\n0.278167 0.973170 0.645447 O\n0.540966 0.861980 0.626216 O\n0.459034 0.138020 0.373784 O\n0.199885 0.364687 0.171198 O\n0.809376 0.440207 0.981346 O\n0.241722 0.498210 0.876806 O\n0.348008 0.940206 0.499824 O\n0.959034 0.861980 0.126216 O\n0.411167 0.881072 0.390344 O\n0.309376 0.559793 0.518654 O\n0.745677 0.920590 0.639423 O\n0.778167 0.026830 0.854553 O\n0.911167 0.118928 0.109656 O\n0.320432 0.755792 0.147021 O\n0.844309 0.277375 0.634343 O\n0.754323 0.920590 0.139423 O\n0.258278 0.498210 0.376806 O\n0.820432 0.244208 0.352979 O\n0.679568 0.244208 0.852979 O\n0.190624 0.559793 0.018654 O\n0.245677 0.079410 0.860577 O\n0.481256 0.392636 0.592976 O\n0.572528 0.397225 0.380282 O\n0.619362 0.177106 0.746302 O\n0.690624 0.440207 0.481346 O\n0.018744 0.392636 0.092976 O\n0.380638 0.822894 0.253698 O\n0.848008 0.059794 0.000176 O\n0.254323 0.079410 0.360577 O\n0.655691 0.277375 0.134343 O\n0.544847 0.531060 0.088361 O\n0.427472 0.602775 0.619718 O\n0.758278 0.501790 0.123194 O\n0.518744 0.607364 0.407024 O\n",
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},
{
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"structure_string": "Rb12 In2 P6 S28\n1.0\n5.636027 10.110167 0.000000\n-5.636027 10.110167 0.000000\n0.000000 4.172284 12.717172\nRb In P S\n12 2 6 28\ndirect\n0.021190 0.789551 0.587138 Rb\n0.210449 0.978810 0.912862 Rb\n0.978810 0.210449 0.412862 Rb\n0.789551 0.021190 0.087138 Rb\n0.897794 0.672710 0.350221 Rb\n0.327290 0.102206 0.149779 Rb\n0.102206 0.327290 0.649779 Rb\n0.672710 0.897794 0.850221 Rb\n0.797893 0.436115 0.009900 Rb\n0.563885 0.202107 0.490100 Rb\n0.202107 0.563885 0.990100 Rb\n0.436115 0.797893 0.509900 Rb\n0.365987 0.634013 0.250000 In\n0.634013 0.365987 0.750000 In\n0.274196 0.342259 0.329355 P\n0.657741 0.725804 0.170645 P\n0.725804 0.657741 0.670645 P\n0.342259 0.274196 0.829355 P\n0.058006 0.941994 0.250000 P\n0.941994 0.058006 0.750000 P\n0.133302 0.785853 0.161227 S\n0.214147 0.866698 0.338773 S\n0.866698 0.214147 0.838773 S\n0.785853 0.133302 0.661227 S\n0.472380 0.441053 0.132132 S\n0.558947 0.527620 0.367868 S\n0.527620 0.558947 0.867868 S\n0.441053 0.472380 0.632132 S\n0.244489 0.494703 0.401406 S\n0.505297 0.755511 0.098594 S\n0.755511 0.505297 0.598594 S\n0.494703 0.244489 0.901406 S\n0.133438 0.405234 0.237995 S\n0.594766 0.866562 0.262005 S\n0.866562 0.594766 0.762005 S\n0.405234 0.133438 0.737995 S\n0.830554 0.696064 0.067275 S\n0.303936 0.169446 0.432725 S\n0.169446 0.303936 0.932725 S\n0.696064 0.830554 0.567275 S\n0.726121 0.521836 0.259739 S\n0.478164 0.273879 0.240261 S\n0.273879 0.478164 0.740261 S\n0.521836 0.726121 0.759739 S\n0.030313 0.119579 0.151507 S\n0.880421 0.969687 0.348493 S\n0.969687 0.880421 0.848493 S\n0.119579 0.030313 0.651507 S\n",
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