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{
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"structure_string": "Si1 C2 N6 F6\n1.0\n-0.156363 0.000000 -6.076838\n0.000000 -6.818626 0.000000\n-5.098518 3.409313 2.409871\nSi C N F\n1 2 6 6\ndirect\n0.719129 0.372717 0.745435 Si\n0.455974 0.648376 0.296752 C\n0.988419 0.100145 0.200290 C\n0.447622 0.416008 0.175957 N\n0.447622 0.759949 0.175957 N\n0.988663 0.981208 0.962417 N\n0.990440 0.331283 0.318569 N\n0.990440 0.987286 0.318569 N\n0.468730 0.769914 0.539827 N\n0.894863 0.535445 0.070890 F\n0.546359 0.209503 0.419006 F\n0.536724 0.571286 0.786754 F\n0.536724 0.215468 0.786754 F\n0.899895 0.530869 0.703412 F\n0.899895 0.172543 0.703412 F\n",
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{
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"structure_string": "Cr28 N56\n1.0\n2.801446 13.496775 0.000000\n-2.801446 13.496775 0.000000\n0.000000 8.228129 25.325836\nCr N\n28 56\ndirect\n0.093718 0.029303 0.413210 Cr\n0.970697 0.906282 0.086790 Cr\n0.906282 0.970697 0.586790 Cr\n0.029303 0.093718 0.913210 Cr\n0.869556 0.994070 0.460258 Cr\n0.005930 0.130444 0.039742 Cr\n0.130444 0.005930 0.539742 Cr\n0.994070 0.869556 0.960258 Cr\n0.655515 0.594455 0.362224 Cr\n0.405545 0.344485 0.137776 Cr\n0.344485 0.405545 0.637776 Cr\n0.594455 0.655515 0.862224 Cr\n0.298058 0.435910 0.447854 Cr\n0.564090 0.701942 0.052146 Cr\n0.701942 0.564090 0.552146 Cr\n0.435910 0.298058 0.947854 Cr\n0.793544 0.639216 0.426679 Cr\n0.360784 0.206456 0.073321 Cr\n0.206456 0.360784 0.573321 Cr\n0.639216 0.793544 0.926679 Cr\n0.365151 0.208746 0.381210 Cr\n0.791254 0.634849 0.118790 Cr\n0.634849 0.791254 0.618790 Cr\n0.208746 0.365151 0.881210 Cr\n0.725184 0.704005 0.244992 Cr\n0.295995 0.274816 0.255008 Cr\n0.274816 0.295995 0.755008 Cr\n0.704005 0.725184 0.744992 Cr\n0.096309 0.048869 0.474661 N\n0.951131 0.903691 0.025339 N\n0.903691 0.951131 0.525339 N\n0.048869 0.096309 0.974661 N\n0.967040 0.025910 0.423049 N\n0.974090 0.032960 0.076951 N\n0.032960 0.974090 0.576951 N\n0.025910 0.967040 0.923049 N\n0.398435 0.758016 0.386580 N\n0.241984 0.601565 0.113420 N\n0.601565 0.241984 0.613420 N\n0.758016 0.398435 0.886580 N\n0.685836 0.654477 0.395617 N\n0.345523 0.314164 0.104383 N\n0.314164 0.345523 0.604383 N\n0.654477 0.685836 0.895617 N\n0.552130 0.267367 0.451952 N\n0.732633 0.447870 0.048048 N\n0.447870 0.732633 0.548048 N\n0.267367 0.552130 0.951952 N\n0.643079 0.668866 0.296118 N\n0.331134 0.356921 0.203882 N\n0.356921 0.331134 0.703882 N\n0.668866 0.643079 0.796118 N\n0.008603 0.495346 0.259275 N\n0.504654 0.991397 0.240725 N\n0.991397 0.504654 0.740725 N\n0.495346 0.008603 0.759275 N\n0.113316 0.368312 0.409298 N\n0.631688 0.886684 0.090702 N\n0.886684 0.631688 0.590702 N\n0.368312 0.113316 0.909298 N\n0.354329 0.331070 0.395505 N\n0.668930 0.645671 0.104495 N\n0.645671 0.668930 0.604495 N\n0.331070 0.354329 0.895505 N\n0.253510 0.378706 0.505553 N\n0.621294 0.746490 0.994447 N\n0.746490 0.621294 0.494447 N\n0.378706 0.253510 0.005553 N\n0.776856 0.627049 0.186966 N\n0.372951 0.223144 0.313034 N\n0.223144 0.372951 0.813034 N\n0.627049 0.776856 0.686966 N\n0.918768 0.274799 0.372361 N\n0.725201 0.081232 0.127639 N\n0.081232 0.725201 0.627639 N\n0.274799 0.918768 0.872361 N\n0.035342 0.754316 0.440443 N\n0.245684 0.964658 0.059557 N\n0.964658 0.245684 0.559557 N\n0.754316 0.035342 0.940443 N\n0.626864 0.897353 0.409835 N\n0.102647 0.373136 0.090165 N\n0.373136 0.102647 0.590165 N\n0.897353 0.626864 0.909835 N\n",
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"spacegroup": 15
},
{
"id": "mp-1021307",
"created_at": "2022-09-04T14:45:11.593418Z",
"structure_string": "K2 Mg12 Cr2\n1.0\n5.270800 0.000000 0.000000\n0.000000 6.713352 0.000000\n0.000000 0.000000 11.448250\nK Mg Cr\n2 12 2\ndirect\n0.000000 0.000000 0.834884 K\n0.000000 0.500000 0.334884 K\n0.000000 0.247497 0.582977 Mg\n0.000000 0.752503 0.582977 Mg\n0.500000 0.227300 0.418194 Mg\n0.500000 0.772700 0.418194 Mg\n0.500000 0.000000 0.657038 Mg\n0.500000 0.000000 0.171386 Mg\n0.000000 0.747497 0.082977 Mg\n0.000000 0.252503 0.082977 Mg\n0.500000 0.727300 0.918194 Mg\n0.500000 0.272700 0.918194 Mg\n0.500000 0.500000 0.157038 Mg\n0.500000 0.500000 0.671386 Mg\n0.000000 0.000000 0.334353 Cr\n0.000000 0.500000 0.834353 Cr\n",
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],
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"volume": 405.0933007248072,
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"formula_full": "K2 Mg12 Cr2",
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},
{
"id": "mp-23666",
"created_at": "2022-09-04T14:46:31.745304Z",
"structure_string": "As4 H32 C4 N12 O16\n1.0\n14.091350 0.000000 0.000000\n0.000000 6.298386 0.000000\n0.000000 0.261094 7.745010\nAs H C N O\n4 32 4 12 16\ndirect\n0.866846 0.041183 0.396070 As\n0.366846 0.958817 0.103930 As\n0.133154 0.958817 0.603930 As\n0.633154 0.041183 0.896070 As\n0.931614 0.873195 0.826511 H\n0.431614 0.126805 0.673489 H\n0.068386 0.126805 0.173489 H\n0.568386 0.873195 0.326511 H\n0.937636 0.869614 0.055555 H\n0.437636 0.130386 0.444445 H\n0.062364 0.130386 0.944445 H\n0.562364 0.869614 0.555555 H\n0.849081 0.594799 0.699821 H\n0.349081 0.405201 0.800179 H\n0.150919 0.405201 0.300179 H\n0.650919 0.594799 0.199821 H\n0.811813 0.371844 0.821254 H\n0.311813 0.628156 0.678746 H\n0.188187 0.628156 0.178746 H\n0.688187 0.371844 0.321254 H\n0.527334 0.218095 0.063654 H\n0.664728 0.373404 0.635913 H\n0.472666 0.781905 0.936346 H\n0.972666 0.218095 0.563654 H\n0.894076 0.595653 0.215563 H\n0.394076 0.404347 0.284437 H\n0.105924 0.404347 0.784437 H\n0.605924 0.595653 0.715563 H\n0.722408 0.986396 0.147874 H\n0.222408 0.013604 0.352126 H\n0.277592 0.013604 0.852126 H\n0.777592 0.986396 0.647874 H\n0.835272 0.373404 0.135913 H\n0.335272 0.626596 0.364087 H\n0.164728 0.626596 0.864087 H\n0.027334 0.781905 0.436346 H\n0.621164 0.607282 0.455714 C\n0.121164 0.392718 0.044286 C\n0.378836 0.392718 0.544286 C\n0.878836 0.607282 0.955714 C\n0.631598 0.516450 0.612774 N\n0.368402 0.483550 0.387226 N\n0.131598 0.483550 0.887226 N\n0.868402 0.516450 0.112774 N\n0.921467 0.797523 0.942715 N\n0.421467 0.202477 0.557285 N\n0.078533 0.202477 0.057285 N\n0.578533 0.797523 0.442715 N\n0.650128 0.510294 0.314058 N\n0.150128 0.489706 0.185942 N\n0.349872 0.489706 0.685942 N\n0.849872 0.510294 0.814058 N\n0.920637 0.268024 0.479740 O\n0.420637 0.731976 0.020260 O\n0.551876 0.881562 0.803465 O\n0.579363 0.268024 0.979740 O\n0.780239 0.138068 0.262842 O\n0.280239 0.861932 0.237158 O\n0.219761 0.861932 0.737158 O\n0.719761 0.138068 0.762842 O\n0.679039 0.892529 0.074383 O\n0.179039 0.107471 0.425617 O\n0.320961 0.107471 0.925617 O\n0.820961 0.892529 0.574383 O\n0.948124 0.881562 0.303465 O\n0.448124 0.118438 0.196535 O\n0.051876 0.118438 0.696535 O\n0.079363 0.731976 0.520260 O\n",
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{
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"structure_string": "Na1 Cl7\n1.0\n6.143235 0.000000 0.000000\n0.000000 6.143235 0.000000\n0.000000 0.000000 6.143235\nNa Cl\n1 7\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.167124 0.500000 Cl\n0.000000 0.832876 0.500000 Cl\n0.500000 0.000000 0.167124 Cl\n0.500000 0.000000 0.832876 Cl\n0.167124 0.500000 0.000000 Cl\n0.832876 0.500000 0.000000 Cl\n",
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{
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"structure_string": "Zn4 P8 H44 C8 N4 O32\n1.0\n5.635319 6.378964 0.000000\n-5.635319 6.378964 0.000000\n0.000000 2.368586 14.483784\nZn P H C N O\n4 8 44 8 4 32\ndirect\n0.226582 0.988231 0.928166 Zn\n0.988231 0.226582 0.428166 Zn\n0.478538 0.211661 0.492974 Zn\n0.211661 0.478538 0.992974 Zn\n0.970276 0.762348 0.887165 P\n0.762348 0.970276 0.387165 P\n0.704331 0.458985 0.539132 P\n0.458985 0.704331 0.039132 P\n0.343563 0.302265 0.813376 P\n0.302265 0.343563 0.313376 P\n0.165836 0.095334 0.612997 P\n0.095334 0.165836 0.112997 P\n0.803875 0.853403 0.677448 H\n0.639339 0.965600 0.624407 H\n0.853403 0.803875 0.177448 H\n0.965600 0.639339 0.124407 H\n0.620956 0.650134 0.739724 H\n0.801842 0.379095 0.929115 H\n0.457124 0.770215 0.692325 H\n0.445218 0.706742 0.814159 H\n0.899453 0.236819 0.853343 H\n0.650134 0.620956 0.239724 H\n0.379095 0.801842 0.429115 H\n0.770215 0.457124 0.192325 H\n0.686555 0.286025 0.861369 H\n0.706742 0.445218 0.314159 H\n0.236819 0.899453 0.353343 H\n0.286025 0.686555 0.361369 H\n0.281180 0.638930 0.574225 H\n0.746403 0.055808 0.698643 H\n0.638930 0.281180 0.074225 H\n0.072495 0.621355 0.597268 H\n0.189994 0.524020 0.505405 H\n0.055808 0.746403 0.198643 H\n0.621355 0.072495 0.097268 H\n0.524020 0.189994 0.005405 H\n0.930589 0.579941 0.802624 H\n0.654842 0.867836 0.825148 H\n0.500867 0.981540 0.782358 H\n0.579941 0.930589 0.302624 H\n0.867836 0.654842 0.325148 H\n0.712314 0.701916 0.471607 H\n0.981540 0.500867 0.282358 H\n0.755568 0.393696 0.680257 H\n0.701916 0.712314 0.971607 H\n0.126253 0.918357 0.736047 H\n0.393696 0.755568 0.180257 H\n0.123325 0.877363 0.508818 H\n0.770328 0.030197 0.950711 H\n0.918357 0.126253 0.236047 H\n0.503864 0.333222 0.682230 H\n0.877363 0.123325 0.008818 H\n0.030197 0.770328 0.450711 H\n0.333222 0.503864 0.182230 H\n0.134975 0.291325 0.712063 H\n0.291325 0.134975 0.212063 H\n0.703068 0.945425 0.685939 C\n0.945425 0.703068 0.185939 C\n0.523587 0.743874 0.752739 C\n0.791675 0.269171 0.899209 C\n0.743874 0.523587 0.252739 C\n0.269171 0.791675 0.399209 C\n0.172586 0.629079 0.543258 C\n0.629079 0.172586 0.043258 C\n0.592606 0.890546 0.767099 N\n0.890546 0.592606 0.267099 N\n0.772603 0.139858 0.976429 N\n0.139858 0.772603 0.476429 N\n0.799146 0.833630 0.919969 O\n0.958429 0.688946 0.791873 O\n0.833630 0.799146 0.419969 O\n0.688946 0.958429 0.291873 O\n0.404911 0.834289 0.965858 O\n0.779367 0.479910 0.631987 O\n0.627491 0.629901 0.505681 O\n0.834289 0.404911 0.465858 O\n0.479910 0.779367 0.131987 O\n0.146365 0.923627 0.667381 O\n0.629901 0.627491 0.005681 O\n0.080155 0.894746 0.856761 O\n0.923627 0.146365 0.167381 O\n0.574010 0.348560 0.568122 O\n0.894746 0.080155 0.356761 O\n0.505454 0.338900 0.749753 O\n0.356880 0.378198 0.900958 O\n0.031811 0.630331 0.958062 O\n0.348560 0.574010 0.068122 O\n0.338900 0.505454 0.249753 O\n0.378198 0.356880 0.400958 O\n0.199170 0.373207 0.763096 O\n0.630331 0.031811 0.458062 O\n0.353179 0.117477 0.832877 O\n0.343034 0.115093 0.596327 O\n0.373207 0.199170 0.263096 O\n0.117477 0.353179 0.332877 O\n0.068254 0.224154 0.669304 O\n0.115093 0.343034 0.096327 O\n0.092224 0.084848 0.522799 O\n0.224154 0.068254 0.169304 O\n0.084848 0.092224 0.022799 O\n",
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{
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