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{
"id": "mp-1233258",
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"structure_string": "Mg1 Ti4 Cu3 O12\n1.0\n6.056392 0.008450 -2.139760\n-3.040720 5.316913 -2.125044\n0.001412 -0.008450 6.423276\nMg Ti Cu O\n1 4 3 12\ndirect\n0.945440 0.873802 0.928360 Mg\n0.999787 0.976144 0.483758 Ti\n0.987803 0.455576 0.984259 Ti\n0.471317 0.455576 0.467773 Ti\n0.492387 0.976144 0.976357 Ti\n0.500018 0.487248 0.987230 Cu\n0.994059 0.490328 0.496269 Cu\n0.494356 0.979521 0.485165 Cu\n0.817879 0.296953 0.123167 O\n0.170755 0.692583 0.869946 O\n0.822637 0.692583 0.521829 O\n0.306435 0.472897 0.166463 O\n0.477782 0.162965 0.294517 O\n0.119210 0.809478 0.287344 O\n0.699370 0.861443 0.162072 O\n0.522136 0.809478 0.690268 O\n0.173786 0.296953 0.479071 O\n0.696252 0.506563 0.810310 O\n0.868448 0.162965 0.685182 O\n0.304726 0.113716 0.808989 O\n",
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{
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"structure_string": "Mn12 O10 F14\n1.0\n4.730556 0.000000 0.000000\n0.160416 5.759830 0.000000\n0.032807 0.005036 15.573589\nMn O F\n12 10 14\ndirect\n0.048245 0.847535 0.586253 Mn\n0.988892 0.152322 0.755213 Mn\n0.009938 0.861556 0.920950 Mn\n0.007641 0.812612 0.253343 Mn\n0.018148 0.132265 0.418277 Mn\n0.049574 0.161981 0.079967 Mn\n0.485770 0.664557 0.416065 Mn\n0.476479 0.651866 0.079510 Mn\n0.496323 0.650344 0.747667 Mn\n0.476625 0.329856 0.910794 Mn\n0.476871 0.339662 0.576572 Mn\n0.510515 0.376276 0.250360 Mn\n0.222257 0.890924 0.695631 O\n0.214184 0.878998 0.363152 O\n0.225942 0.899087 0.025256 O\n0.201561 0.102115 0.861643 O\n0.219022 0.104394 0.527223 O\n0.287652 0.619217 0.525193 O\n0.290501 0.610682 0.187295 O\n0.284263 0.385053 0.020473 O\n0.699474 0.370314 0.805935 O\n0.701100 0.618260 0.309272 O\n0.264305 0.126844 0.199665 F\n0.249047 0.603198 0.859364 F\n0.250958 0.395423 0.691172 F\n0.252088 0.384273 0.360261 F\n0.730535 0.637675 0.972765 F\n0.754521 0.615259 0.636077 F\n0.737103 0.374605 0.465425 F\n0.774608 0.390866 0.133957 F\n0.754008 0.866867 0.816694 F\n0.774198 0.870798 0.484356 F\n0.760876 0.118097 0.642431 F\n0.751608 0.130865 0.975952 F\n0.786497 0.896707 0.138598 F\n0.768674 0.128649 0.307242 F\n",
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"formula_full": "Mn12 O10 F14",
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{
"id": "mp-781462",
"created_at": "2022-09-04T14:47:39.227598Z",
"structure_string": "Li2 V5 P4 O16\n1.0\n8.189657 0.000000 0.000000\n-2.958550 7.757002 0.000000\n-1.040216 -0.603400 5.153011\nLi V P O\n2 5 4 16\ndirect\n0.294718 0.607946 0.059042 Li\n0.705282 0.392054 0.940958 Li\n0.772999 0.092190 0.250089 V\n0.000000 0.000000 0.000000 V\n0.678442 0.646936 0.412823 V\n0.321558 0.353064 0.587177 V\n0.227001 0.907810 0.749911 V\n0.429827 0.142789 0.206448 P\n0.034863 0.612549 0.293865 P\n0.965137 0.387451 0.706135 P\n0.570173 0.857211 0.793552 P\n0.971723 0.316141 0.210961 O\n0.873306 0.744836 0.308468 O\n0.267556 0.083389 0.028209 O\n0.518970 0.890451 0.232950 O\n0.563673 0.336668 0.179149 O\n0.105606 0.729110 0.171152 O\n0.825705 0.348268 0.513818 O\n0.381560 0.269668 0.361427 O\n0.618440 0.730332 0.638573 O\n0.174295 0.651732 0.486182 O\n0.894394 0.270890 0.828848 O\n0.436327 0.663332 0.820851 O\n0.481030 0.109549 0.767050 O\n0.732444 0.916611 0.971791 O\n0.126694 0.255164 0.691532 O\n0.028277 0.683859 0.789039 O\n",
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"formula_full": "Li2 V5 P4 O16",
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{
"id": "mp-1516706",
"created_at": "2022-09-04T14:47:36.374548Z",
"structure_string": "Na1 Sm1 Fe4 O12\n1.0\n5.380152 0.000000 0.000000\n0.000000 5.380152 0.000000\n0.000000 0.000000 7.639436\nNa Sm Fe O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.000000 0.500000 0.754714 Fe\n0.000000 0.500000 0.245286 Fe\n0.500000 -0.000000 0.245286 Fe\n0.500000 0.000000 0.754714 Fe\n0.240348 0.240348 0.263727 O\n0.240348 0.240348 0.736273 O\n0.759652 0.759652 0.736273 O\n0.759652 0.759652 0.263727 O\n0.759652 0.240348 0.736273 O\n0.759652 0.240348 0.263727 O\n0.240348 0.759652 0.736273 O\n0.240348 0.759652 0.263727 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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"formula_full": "Na1 Sm1 Fe4 O12",
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"energy": -124.46223478,
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{
"id": "mp-780614",
"created_at": "2022-09-04T14:47:39.047355Z",
"structure_string": "Nb1 Cr3 P6 O24\n1.0\n7.725016 -4.315218 0.000000\n7.725016 4.315218 0.000000\n5.314522 0.000000 7.074803\nNb Cr P O\n1 3 6 24\ndirect\n0.860561 0.860561 0.860561 Nb\n0.143291 0.143291 0.143291 Cr\n0.357219 0.357219 0.357219 Cr\n0.642876 0.642876 0.642876 Cr\n0.035975 0.460275 0.749856 P\n0.460275 0.749856 0.035975 P\n0.749856 0.035975 0.460275 P\n0.259501 0.967303 0.526201 P\n0.526201 0.259501 0.967303 P\n0.967303 0.526201 0.259501 P\n0.138239 0.504160 0.282682 O\n0.282682 0.138239 0.504160 O\n0.064668 0.279784 0.921859 O\n0.504160 0.282682 0.138239 O\n0.217148 0.434047 0.577535 O\n0.006373 0.633492 0.778684 O\n0.279784 0.921859 0.064668 O\n0.434047 0.577536 0.217148 O\n0.577536 0.217148 0.434047 O\n0.223829 0.993322 0.361235 O\n0.083297 0.940023 0.708877 O\n0.361235 0.223829 0.993322 O\n0.633492 0.778684 0.006373 O\n0.921859 0.064668 0.279784 O\n0.778684 0.006373 0.633492 O\n0.428431 0.786293 0.557049 O\n0.557049 0.428431 0.786293 O\n0.708877 0.083297 0.940023 O\n0.993322 0.361235 0.223829 O\n0.786293 0.557049 0.428431 O\n0.490121 0.721167 0.864624 O\n0.940023 0.708877 0.083297 O\n0.721167 0.864624 0.490121 O\n0.864624 0.490121 0.721167 O\n",
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{
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"structure_string": "Sm4 Fe4 Ge8 O28\n1.0\n6.667087 0.000000 0.000000\n0.000000 7.314766 0.000000\n0.000000 6.051110 11.585286\nSm Fe Ge O\n4 4 8 28\ndirect\n0.148921 0.241084 0.025389 Sm\n0.648921 0.758916 0.474611 Sm\n0.851079 0.758916 0.974611 Sm\n0.351079 0.241084 0.525389 Sm\n0.404394 0.209203 0.269759 Fe\n0.904394 0.790797 0.230241 Fe\n0.595606 0.790797 0.730241 Fe\n0.095606 0.209203 0.769759 Fe\n0.659407 0.218365 0.038281 Ge\n0.159407 0.781635 0.461719 Ge\n0.340593 0.781635 0.961719 Ge\n0.840593 0.218365 0.538281 Ge\n0.415222 0.699940 0.223063 Ge\n0.915222 0.300060 0.276937 Ge\n0.584778 0.300060 0.776937 Ge\n0.084778 0.699940 0.723063 Ge\n0.829313 0.411426 0.017026 O\n0.329313 0.588574 0.482974 O\n0.170687 0.588574 0.982974 O\n0.670687 0.411426 0.517026 O\n0.113462 0.218651 0.218527 O\n0.613462 0.781349 0.281473 O\n0.886538 0.781349 0.781473 O\n0.386538 0.218651 0.718527 O\n0.378068 0.430548 0.310173 O\n0.878068 0.569452 0.189827 O\n0.621932 0.569452 0.689827 O\n0.121932 0.430548 0.810173 O\n0.339434 0.986392 0.426031 O\n0.839434 0.013608 0.073969 O\n0.660566 0.013608 0.573969 O\n0.160566 0.986392 0.926031 O\n0.001003 0.260561 0.418547 O\n0.501003 0.739439 0.081453 O\n0.998997 0.739439 0.581453 O\n0.498997 0.260561 0.918547 O\n0.453621 0.206325 0.125165 O\n0.953621 0.793675 0.374835 O\n0.546379 0.793675 0.874835 O\n0.046379 0.206325 0.625165 O\n0.193607 0.849050 0.186068 O\n0.693607 0.150950 0.313932 O\n0.806393 0.150950 0.813932 O\n0.306393 0.849050 0.686068 O\n",
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{
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"structure_string": "Na1 Ce1 Mg6 O8\n1.0\n9.053005 -0.000000 0.000000\n0.000000 4.470605 0.000000\n-0.000000 0.000000 4.470605\nNa Ce Mg O\n1 1 6 8\ndirect\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 -0.000000 Ce\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.271425 -0.000000 0.500000 Mg\n0.728575 0.000000 0.500000 Mg\n0.271425 0.500000 -0.000000 Mg\n0.728575 0.500000 0.000000 Mg\n0.269260 0.000000 0.000000 O\n0.730740 0.000000 -0.000000 O\n0.272098 0.500000 0.500000 O\n0.727902 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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{
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{
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{
"id": "mp-1214243",
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"structure_string": "Co2 P2 N2 O20\n1.0\n5.031513 0.000000 0.000000\n0.000000 6.309520 0.000000\n0.000000 0.000000 11.087463\nCo P N O\n2 2 2 20\ndirect\n0.676589 0.500000 0.230397 Co\n0.323411 0.000000 0.730397 Co\n0.162063 0.500000 0.430517 P\n0.837937 0.000000 0.930517 P\n0.775975 0.500000 0.835526 N\n0.224025 0.000000 0.335526 N\n0.538273 0.897569 0.594623 O\n0.461727 0.602431 0.094623 O\n0.461727 0.397569 0.094623 O\n0.538273 0.102431 0.594623 O\n0.223954 0.770295 0.825826 O\n0.776046 0.729705 0.325826 O\n0.776046 0.270295 0.325826 O\n0.223954 0.229705 0.825826 O\n0.277409 0.500000 0.552436 O\n0.722591 0.000000 0.052436 O\n0.915400 0.500000 0.756304 O\n0.084600 0.000000 0.256304 O\n0.053974 0.797125 0.927745 O\n0.946026 0.702875 0.427745 O\n0.946026 0.297125 0.427745 O\n0.053974 0.202875 0.927745 O\n0.317005 0.500000 0.314223 O\n0.682995 0.000000 0.814223 O\n0.936287 0.500000 0.144609 O\n0.063713 0.000000 0.644609 O\n",
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