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{
"id": "mp-1233935",
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"structure_string": "Ca1 In4 Ge4 O14\n1.0\n-5.272461 -5.272461 -0.228423\n-5.272461 -0.228423 -5.272461\n-0.228423 -5.272461 -5.272461\nCa In Ge O\n1 4 4 14\ndirect\n0.737591 0.737591 0.737591 Ca\n0.460783 0.460783 0.006452 In\n0.460783 0.006452 0.460783 In\n0.006452 0.460783 0.460783 In\n0.491805 0.491805 0.491805 In\n0.006829 0.006829 0.500238 Ge\n0.006829 0.500238 0.006829 Ge\n0.500238 0.006829 0.006829 Ge\n0.012262 0.012262 0.012262 Ge\n0.374111 0.374111 0.374111 O\n0.615348 0.615348 0.615348 O\n0.340420 0.927119 0.927119 O\n0.927155 0.322858 0.322858 O\n0.927119 0.340420 0.927119 O\n0.322858 0.927155 0.322858 O\n0.927119 0.927119 0.340420 O\n0.322858 0.322858 0.927155 O\n0.670696 0.082494 0.082494 O\n0.089388 0.687554 0.687554 O\n0.082494 0.670696 0.082494 O\n0.687554 0.089388 0.687554 O\n0.082494 0.082494 0.670696 O\n0.687554 0.687554 0.089388 O\n",
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{
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"structure_string": "Ba4 Sr8 I24\n1.0\n8.170479 0.000000 0.000000\n0.000000 8.170479 0.000000\n0.000000 0.000000 24.566283\nBa Sr I\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.168002 Sr\n0.000000 0.000000 0.331282 Sr\n0.000000 0.000000 0.668718 Sr\n0.000000 0.500000 0.831998 Sr\n0.500000 0.500000 0.331282 Sr\n0.500000 0.000000 0.168002 Sr\n0.500000 0.000000 0.831998 Sr\n0.500000 0.500000 0.668718 Sr\n0.233591 0.758259 0.586710 I\n0.234625 0.743510 0.086760 I\n0.256490 0.234625 0.913240 I\n0.258259 0.733591 0.413290 I\n0.235218 0.265332 0.250452 I\n0.234668 0.264782 0.749548 I\n0.265332 0.764782 0.749548 I\n0.264782 0.765332 0.250452 I\n0.243510 0.734625 0.913240 I\n0.241741 0.233591 0.413290 I\n0.265375 0.243510 0.086760 I\n0.266409 0.258259 0.586710 I\n0.733591 0.741741 0.586710 I\n0.734625 0.756490 0.086760 I\n0.756490 0.265375 0.913240 I\n0.758259 0.766409 0.413290 I\n0.735218 0.234668 0.250452 I\n0.734668 0.235218 0.749548 I\n0.765332 0.735218 0.749548 I\n0.764782 0.734668 0.250452 I\n0.741741 0.266409 0.413290 I\n0.743510 0.765375 0.913240 I\n0.765375 0.256490 0.086760 I\n0.766409 0.241741 0.586710 I\n",
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{
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"created_at": "2022-09-04T14:39:09.365400Z",
"structure_string": "Li12 V4 B8 O24\n1.0\n8.764634 0.000000 0.000000\n0.000000 5.971310 0.000000\n0.000000 5.898274 8.608265\nLi V B O\n12 4 8 24\ndirect\n0.241542 0.837144 0.152961 Li\n0.770407 0.627256 0.396933 Li\n0.417391 0.881522 0.401993 Li\n0.917391 0.118478 0.098007 Li\n0.270407 0.372744 0.103067 Li\n0.741542 0.162856 0.347039 Li\n0.258458 0.837144 0.652961 Li\n0.729593 0.627256 0.896933 Li\n0.082609 0.881522 0.901993 Li\n0.582609 0.118478 0.598007 Li\n0.229593 0.372744 0.603067 Li\n0.758458 0.162856 0.847039 Li\n0.401062 0.292422 0.868977 V\n0.901062 0.707578 0.631023 V\n0.098938 0.292422 0.368977 V\n0.598938 0.707578 0.131023 V\n0.106297 0.854707 0.364021 B\n0.565161 0.613377 0.636501 B\n0.065161 0.386623 0.863499 B\n0.606297 0.145293 0.135979 B\n0.393703 0.854707 0.864021 B\n0.934839 0.613377 0.136501 B\n0.434839 0.386623 0.363499 B\n0.893703 0.145293 0.635979 B\n0.140309 0.624504 0.373117 O\n0.466873 0.072715 0.103178 O\n0.718044 0.949425 0.183641 O\n0.411998 0.574039 0.617335 O\n0.155308 0.200348 0.986134 O\n0.612269 0.454496 0.791181 O\n0.112269 0.545504 0.708819 O\n0.655308 0.799652 0.513866 O\n0.218044 0.050575 0.316359 O\n0.911998 0.425961 0.882665 O\n0.966873 0.927285 0.396822 O\n0.640309 0.375496 0.126883 O\n0.359691 0.624504 0.873117 O\n0.033127 0.072715 0.603178 O\n0.088002 0.574039 0.117335 O\n0.781956 0.949425 0.683641 O\n0.344692 0.200348 0.486134 O\n0.887731 0.454496 0.291181 O\n0.387731 0.545504 0.208819 O\n0.844692 0.799652 0.013866 O\n0.588002 0.425961 0.382665 O\n0.281956 0.050575 0.816359 O\n0.533127 0.927285 0.896822 O\n0.859691 0.375496 0.626883 O\n",
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{
"id": "mp-1020587",
"created_at": "2022-09-04T14:39:09.366210Z",
"structure_string": "Sr8 Mg24 Si8 N32\n1.0\n-5.816198 5.816198 6.807923\n5.816198 -5.816198 6.807923\n5.816198 5.816198 -6.807923\nSr Mg Si N\n8 24 8 32\ndirect\n0.562455 0.044699 0.998248 Sr\n0.046451 0.564207 0.001752 Sr\n0.314207 0.812455 0.017756 Sr\n0.794699 0.296451 0.982244 Sr\n0.187545 0.205301 0.501752 Sr\n0.703549 0.685793 0.498248 Sr\n0.435793 0.437545 0.482244 Sr\n0.955301 0.953549 0.517756 Sr\n0.838621 0.159035 0.371926 Mg\n0.787109 0.466695 0.628074 Mg\n0.216695 0.088621 0.179586 Mg\n0.909035 0.037109 0.820414 Mg\n0.911379 0.090965 0.128074 Mg\n0.962891 0.783305 0.871926 Mg\n0.533305 0.161379 0.320414 Mg\n0.840965 0.212891 0.679586 Mg\n0.587568 0.951505 0.648231 Mg\n0.303274 0.939338 0.351769 Mg\n0.689338 0.837568 0.136064 Mg\n0.701505 0.553274 0.863936 Mg\n0.162432 0.298495 0.851769 Mg\n0.446726 0.310662 0.148231 Mg\n0.060662 0.412432 0.363936 Mg\n0.048495 0.696726 0.636064 Mg\n0.292540 0.974310 0.637121 Mg\n0.337189 0.655420 0.362879 Mg\n0.405420 0.542540 0.818231 Mg\n0.724310 0.587189 0.181769 Mg\n0.457460 0.275690 0.862879 Mg\n0.412811 0.594580 0.137121 Mg\n0.344580 0.707460 0.681769 Mg\n0.025690 0.662811 0.318231 Mg\n0.755500 0.397349 0.288705 Si\n0.108645 0.466796 0.711295 Si\n0.216796 0.005500 0.858151 Si\n0.147349 0.358645 0.141849 Si\n0.994500 0.852651 0.211295 Si\n0.641355 0.783204 0.788705 Si\n0.533204 0.244500 0.641849 Si\n0.602651 0.891355 0.358151 Si\n0.615287 0.359773 0.096126 N\n0.263646 0.519161 0.903874 N\n0.269161 0.865287 0.755515 N\n0.109773 0.513646 0.244485 N\n0.134713 0.890227 0.403874 N\n0.486354 0.730839 0.596126 N\n0.480839 0.384713 0.744485 N\n0.640227 0.736354 0.255515 N\n0.752072 0.978251 0.880960 N\n0.097292 0.871112 0.119040 N\n0.621112 0.002072 0.273820 N\n0.728251 0.347292 0.726180 N\n0.997928 0.271749 0.619040 N\n0.652708 0.378888 0.380960 N\n0.128888 0.247928 0.226180 N\n0.021749 0.902708 0.773820 N\n0.833700 0.264423 0.243490 N\n0.020933 0.590210 0.756510 N\n0.340210 0.083700 0.069277 N\n0.014423 0.270933 0.930723 N\n0.916300 0.985577 0.256510 N\n0.729067 0.659790 0.743490 N\n0.409790 0.166300 0.430723 N\n0.735577 0.979067 0.569277 N\n0.503683 0.113377 0.701799 N\n0.411579 0.801884 0.298201 N\n0.551884 0.753683 0.890306 N\n0.863377 0.661579 0.109694 N\n0.246317 0.136622 0.798201 N\n0.338421 0.448116 0.201799 N\n0.198116 0.496317 0.609694 N\n0.886622 0.588421 0.390306 N\n",
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"formula_full": "Sr8 Mg24 Si8 N32",
"formula_reduced": "SrMg3SiN4",
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"energy": -444.54142179,
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"spacegroup": 88
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{
"id": "mp-1209722",
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"structure_string": "Sm10 Cu2 Pb6\n1.0\n4.777855 -8.275487 0.000000\n4.777855 8.275487 0.000000\n0.000000 0.000000 6.920722\nSm Cu Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.253004 0.000000 0.250000 Sm\n0.746996 0.000000 0.750000 Sm\n0.000000 0.253004 0.250000 Sm\n0.000000 0.746996 0.750000 Sm\n0.746996 0.746996 0.250000 Sm\n0.253004 0.253004 0.750000 Sm\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.611819 0.000000 0.250000 Pb\n0.388181 0.000000 0.750000 Pb\n0.000000 0.611819 0.250000 Pb\n0.000000 0.388181 0.750000 Pb\n0.388181 0.388181 0.250000 Pb\n0.611819 0.611819 0.750000 Pb\n",
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{
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{
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"structure_string": "Mg2 Zn4\n1.0\n1.472128 5.407796 0.000000\n-1.472128 5.407796 0.000000\n0.000000 2.041790 6.470570\nMg Zn\n2 4\ndirect\n0.811911 0.811911 0.645465 Mg\n0.188089 0.188089 0.354535 Mg\n0.132962 0.132962 0.978203 Zn\n0.530729 0.530729 0.704536 Zn\n0.469271 0.469271 0.295464 Zn\n0.867038 0.867038 0.021797 Zn\n",
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{
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"structure_string": "Sn4 P8 Pb4 O32\n1.0\n15.073051 0.000000 0.000000\n0.000000 4.930707 0.000000\n0.000000 4.514816 8.943714\nSn P Pb O\n4 8 4 32\ndirect\n0.141540 0.186125 0.550198 Sn\n0.641540 0.813875 0.949802 Sn\n0.858460 0.813875 0.449802 Sn\n0.358460 0.186125 0.050198 Sn\n0.023490 0.552724 0.703482 P\n0.523490 0.447276 0.796518 P\n0.976510 0.447276 0.296518 P\n0.476510 0.552724 0.203482 P\n0.737427 0.171943 0.609477 P\n0.237427 0.828057 0.890523 P\n0.262573 0.828057 0.390523 P\n0.762573 0.171943 0.109477 P\n0.399398 0.125016 0.589170 Pb\n0.899398 0.874984 0.910830 Pb\n0.600602 0.874984 0.410830 Pb\n0.100602 0.125016 0.089170 Pb\n0.107301 0.432118 0.660753 O\n0.607301 0.567882 0.839247 O\n0.892699 0.567882 0.339247 O\n0.392699 0.432118 0.160753 O\n0.039169 0.894340 0.662302 O\n0.539169 0.105660 0.837698 O\n0.960831 0.105660 0.337698 O\n0.460831 0.894340 0.162302 O\n0.937931 0.522556 0.624173 O\n0.437931 0.477444 0.875827 O\n0.062069 0.477444 0.375827 O\n0.562069 0.522556 0.124173 O\n0.504602 0.628527 0.627212 O\n0.004602 0.371473 0.872788 O\n0.495398 0.371473 0.372788 O\n0.995398 0.628527 0.127212 O\n0.848343 0.109482 0.049315 O\n0.348343 0.890518 0.450685 O\n0.151657 0.890518 0.950685 O\n0.651657 0.109482 0.549315 O\n0.750453 0.526693 0.035462 O\n0.250453 0.473307 0.464538 O\n0.249547 0.473307 0.964538 O\n0.749547 0.526693 0.535462 O\n0.678787 0.017460 0.083253 O\n0.178787 0.982540 0.416747 O\n0.321213 0.982540 0.916747 O\n0.821213 0.017460 0.583253 O\n0.265925 0.935060 0.217094 O\n0.765925 0.064940 0.282906 O\n0.734075 0.064940 0.782906 O\n0.234075 0.935060 0.717094 O\n",
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