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O\n0.173766 0.110493 0.048305 O\n0.365240 0.411576 0.797543 O\n0.600424 0.233279 0.864247 O\n0.915518 0.870219 0.296726 O\n0.805050 0.099695 0.364162 O\n0.149690 0.952356 0.391681 O\n0.402340 0.768785 0.138272 O\n0.581785 0.145632 0.696526 O\n0.687311 0.905862 0.637505 O\n0.821540 0.399914 0.946153 O\n0.145632 0.581785 0.196526 O\n0.651593 0.953383 0.391262 O\n0.080511 0.137902 0.699066 O\n0.511062 0.443666 0.384802 O\n0.413370 0.864148 0.297627 O\n0.585737 0.647522 0.695902 O\n0.039534 0.350332 0.110831 O\n0.328316 0.323765 0.447022 O\n0.916685 0.370586 0.296211 O\n0.450579 0.008736 0.886206 O\n0.304325 0.097261 0.363176 O\n0.822199 0.900630 0.946128 O\n0.370586 0.916685 0.796211 O\n0.602022 0.730888 0.864312 O\n0.647522 0.585737 0.195902 O\n0.490971 0.548024 0.617092 O\n0.991839 0.543256 0.615846 O\n0.399914 0.821540 0.446153 O\n0.543256 0.991839 0.115846 O\n0.548024 0.490971 0.117092 O\n0.670046 0.669195 0.546235 O\n0.903623 0.186418 0.137084 O\n0.400498 0.270545 0.137457 O\n0.864148 0.413370 0.797627 O\n0.730888 0.602022 0.364312 O\n0.905862 0.687311 0.137505 O\n0.082642 0.639255 0.698326 O\n0.233279 0.600424 0.364247 O\n0.639255 0.082642 0.198326 O\n0.008736 0.450579 0.386206 O\n0.186418 0.903623 0.637084 O\n0.097261 0.304325 0.863176 O\n0.099695 0.805050 0.864162 O\n0.768785 0.402340 0.638272 O\n0.167073 0.669820 0.547716 O\n0.952356 0.149690 0.891681 O\n0.852367 0.040475 0.610394 O\n0.443666 0.511062 0.884802 O\n","nsites":112,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.798337857365188,"density_atomic":0.07520789623350836,"volume":1489.205330943683,"volume_molar":8.007325110254682,"formula_full":"Li16 Mn16 P16 O64","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy":-854.5756240000001,"energy_per_atom":-7.6301395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-783.919624,"band_gap":2.7917,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.640000Z","spacegroup":9},{"id":"mp-1094072","created_at":"2022-09-04T14:43:34.031182Z","structure_string":"Pr3 Al1 N1\n1.0\n5.048162 0.000000 0.000000\n0.000000 5.048162 0.000000\n0.000000 0.000000 5.048162\nPr Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["Pr","Al","N"],"chemical_system":"Al-N-Pr","density":5.985450206849732,"density_atomic":0.03886602755790899,"volume":128.64705538918736,"volume_molar":15.494613518264057,"formula_full":"Pr3 Al1 N1","formula_reduced":"Pr3AlN","formula_anonymous":"ABC3","energy":-30.35252094,"energy_per_atom":-6.070504188,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.99152094,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011412,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.026000Z","spacegroup":221},{"id":"mp-1074044","created_at":"2022-09-04T14:43:34.173766Z","structure_string":"Mg18 Si10\n1.0\n7.175738 0.000000 0.000000\n-3.527746 6.357542 0.000000\n-3.372590 -1.997788 12.194100\nMg Si\n18 10\ndirect\n0.065657 0.434257 0.623417 Mg\n0.782582 0.553750 0.452001 Mg\n0.575228 0.699963 0.615541 Mg\n0.257943 0.269397 0.466488 Mg\n0.305501 0.939224 0.623043 Mg\n0.566025 0.049930 0.458063 Mg\n0.062147 0.223310 0.108030 Mg\n0.264321 0.550347 0.954082 Mg\n0.581700 0.432902 0.101318 Mg\n0.801449 0.796648 0.957137 Mg\n0.662520 0.864521 0.159324 Mg\n0.549454 0.061329 0.951600 Mg\n0.843884 0.286682 0.288194 Mg\n0.018473 0.742116 0.784292 Mg\n0.405786 0.585823 0.302298 Mg\n0.426052 0.350718 0.783827 Mg\n0.065017 0.637538 0.143088 Mg\n0.817684 0.139206 0.781717 Mg\n0.078805 0.873846 0.318543 Si\n0.833987 0.933347 0.399231 Si\n0.982103 0.027913 0.617471 Si\n0.186864 0.126938 0.928771 Si\n0.411988 0.209670 0.285264 Si\n0.424127 0.742484 0.787559 Si\n0.340242 0.014640 0.106596 Si\n0.842068 0.451771 0.931769 Si\n0.650077 0.358353 0.625485 Si\n0.198347 0.643405 0.445631 Si\n","nsites":28,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.144255867422837,"density_atomic":0.05033295959171193,"volume":556.2955214064268,"volume_molar":11.964606907382485,"formula_full":"Mg18 Si10","formula_reduced":"Mg9Si5","formula_anonymous":"A5B9","energy":-82.44789257000001,"energy_per_atom":-2.9445675917857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.15789257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021763,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26Z","spacegroup":1},{"id":"mp-770835","created_at":"2022-09-04T14:43:22.507470Z","structure_string":"Na3 Li3 Mn2 P2 C2 O14\n1.0\n5.105161 0.000000 0.000000\n-0.039487 6.635437 0.000000\n-0.049013 -0.115070 8.813588\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.241146 0.256732 0.082813 Na\n0.753255 0.000791 0.254881 Na\n0.758500 0.747208 0.915663 Na\n0.766479 0.485632 0.268657 Li\n0.233805 0.512721 0.733347 Li\n0.232548 0.988193 0.732933 Li\n0.222011 0.746573 0.361587 Mn\n0.778475 0.249067 0.641131 Mn\n0.301020 0.253950 0.415269 P\n0.703221 0.744852 0.589113 P\n0.263520 0.747701 0.052027 C\n0.733469 0.257092 0.944861 C\n0.713987 0.271151 0.091446 O\n0.036227 0.749096 0.117787 O\n0.473426 0.743889 0.136264 O\n0.217391 0.061681 0.324805 O\n0.187965 0.432411 0.324039 O\n0.606870 0.269318 0.419198 O\n0.799360 0.734340 0.422403 O\n0.202312 0.251843 0.582417 O\n0.395318 0.747932 0.587570 O\n0.802275 0.563969 0.682940 O\n0.809847 0.934528 0.674751 O\n0.524322 0.248386 0.859000 O\n0.963037 0.251016 0.881012 O\n0.280213 0.749934 0.904087 O\n","nsites":26,"nelements":6,"elements":["Na","Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-Na-O-P","density":2.834467266346609,"density_atomic":0.0870846538393773,"volume":298.5600660244401,"volume_molar":6.915272088131046,"formula_full":"Na3 Li3 Mn2 P2 C2 O14","formula_reduced":"Na3Li3Mn2P2(CO7)2","formula_anonymous":"A2B2C2D3E3F14","energy":-188.41284084,"energy_per_atom":-7.246647724615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.45884084,"band_gap":3.3298999999999994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0060704,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.566000Z","spacegroup":1}]}