{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10225","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10223","results":[{"id":"mp-2500","created_at":"2022-09-04T14:40:18.454070Z","structure_string":"Al5 Cu5\n1.0\n2.047885 6.039403 0.000000\n-2.047885 6.039403 0.000000\n0.000000 3.964288 5.672315\nAl Cu\n5 5\ndirect\n0.500000 0.500000 0.500000 Al\n0.156220 0.156220 0.538569 Al\n0.843780 0.843780 0.461431 Al\n0.378231 0.378231 0.004275 Al\n0.621769 0.621769 0.995725 Al\n0.000000 0.000000 0.000000 Cu\n0.257947 0.257947 0.759416 Cu\n0.742053 0.742053 0.240584 Cu\n0.108952 0.108952 0.228138 Cu\n0.891048 0.891048 0.771862 Cu\n","nsites":10,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":5.356855143165452,"density_atomic":0.07127054642844466,"volume":140.3104157485303,"volume_molar":8.449690737317702,"formula_full":"Al5 Cu5","formula_reduced":"AlCu","formula_anonymous":"AB","energy":-41.35819198,"energy_per_atom":-4.135819198,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.35819198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002109,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.356000Z","spacegroup":12},{"id":"mp-1207493","created_at":"2022-09-04T14:40:18.469378Z","structure_string":"Yb4 Si4 Pd4\n1.0\n4.420876 0.000000 0.000000\n0.000000 7.104762 0.000000\n0.000000 0.000000 7.194739\nYb Si Pd\n4 4 4\ndirect\n0.250000 0.493887 0.184208 Yb\n0.750000 0.506113 0.815792 Yb\n0.750000 0.006113 0.684208 Yb\n0.250000 0.993887 0.315792 Yb\n0.250000 0.805579 0.896471 Si\n0.750000 0.194421 0.103529 Si\n0.750000 0.694421 0.396471 Si\n0.250000 0.305579 0.603529 Si\n0.250000 0.659447 0.575734 Pd\n0.750000 0.340553 0.424266 Pd\n0.750000 0.840553 0.075734 Pd\n0.250000 0.159447 0.924266 Pd\n","nsites":12,"nelements":3,"elements":["Yb","Si","Pd"],"chemical_system":"Pd-Si-Yb","density":9.039523827148313,"density_atomic":0.05310168892987225,"volume":225.98151286388602,"volume_molar":11.340770663533936,"formula_full":"Yb4 Si4 Pd4","formula_reduced":"YbSiPd","formula_anonymous":"ABC","energy":-57.97619150999999,"energy_per_atom":-4.8313492925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.26019151,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.074000Z","spacegroup":62},{"id":"mp-560426","created_at":"2022-09-04T14:40:18.481284Z","structure_string":"K12 V4 S8 O8\n1.0\n7.398341 0.000000 0.000000\n0.000000 10.706436 0.000000\n0.000000 6.238281 10.050578\nK V S O\n12 4 8 8\ndirect\n0.741059 0.063344 0.882451 K\n0.864465 0.515752 0.160280 K\n0.258941 0.936656 0.117549 K\n0.758941 0.063344 0.382451 K\n0.135535 0.484248 0.839720 K\n0.724660 0.768991 0.793503 K\n0.364465 0.484248 0.339720 K\n0.224660 0.231009 0.706497 K\n0.275340 0.231009 0.206497 K\n0.775340 0.768991 0.293503 K\n0.241059 0.936656 0.617549 K\n0.635535 0.515752 0.660280 K\n0.699063 0.306653 0.028308 V\n0.800937 0.306653 0.528308 V\n0.300937 0.693347 0.971692 V\n0.199063 0.693347 0.471692 V\n0.465396 0.249610 0.943106 S\n0.580680 0.139359 0.591068 S\n0.965396 0.750390 0.556894 S\n0.534604 0.750390 0.056894 S\n0.034604 0.249610 0.443106 S\n0.080680 0.860641 0.908932 S\n0.419320 0.860641 0.408932 S\n0.919320 0.139359 0.091068 S\n0.284242 0.524568 0.585375 O\n0.629738 0.304925 0.166207 O\n0.784242 0.475432 0.914625 O\n0.215758 0.524568 0.085375 O\n0.870262 0.304925 0.666207 O\n0.715758 0.475432 0.414625 O\n0.129738 0.695075 0.333793 O\n0.370262 0.695075 0.833793 O\n","nsites":32,"nelements":4,"elements":["K","V","S","O"],"chemical_system":"K-O-S-V","density":2.2056828491210223,"density_atomic":0.040195706829537124,"volume":796.1049207495302,"volume_molar":14.982049664007235,"formula_full":"K12 V4 S8 O8","formula_reduced":"K3V(SO)2","formula_anonymous":"AB2C2D3","energy":-180.06450569999998,"energy_per_atom":-5.6270158031249995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.7445057,"band_gap":2.1321000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016736,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.009000Z","spacegroup":14},{"id":"mp-1225360","created_at":"2022-09-04T14:40:18.555278Z","structure_string":"Fe4 Co1 Bi5 O15\n1.0\n3.794932 0.000000 0.000000\n0.200856 6.338933 0.000000\n0.300695 0.522131 14.708225\nFe Co Bi O\n4 1 5 15\ndirect\n0.512220 0.752364 0.410564 Fe\n0.514462 0.348761 0.610150 Fe\n0.513852 0.944228 0.810482 Fe\n0.513907 0.545641 0.012457 Fe\n0.515467 0.138453 0.209372 Co\n0.975392 0.981171 0.003971 Bi\n0.972466 0.567952 0.209646 Bi\n0.964635 0.181499 0.404412 Bi\n0.968081 0.781695 0.605131 Bi\n0.964206 0.377712 0.805750 Bi\n0.010020 0.228260 0.240970 O\n0.008259 0.834564 0.438923 O\n0.010510 0.435180 0.639609 O\n0.009457 0.029127 0.840697 O\n0.009144 0.636573 0.039016 O\n0.510718 0.034139 0.339721 O\n0.513751 0.632701 0.539669 O\n0.516533 0.225375 0.739689 O\n0.510988 0.832556 0.941383 O\n0.516170 0.425743 0.140529 O\n0.537843 0.938822 0.129285 O\n0.541412 0.534286 0.328360 O\n0.543281 0.135002 0.528330 O\n0.540348 0.731642 0.728297 O\n0.541377 0.334252 0.927990 O\n","nsites":25,"nelements":4,"elements":["Fe","Co","Bi","O"],"chemical_system":"Bi-Co-Fe-O","density":7.355205522152722,"density_atomic":0.07065771423338471,"volume":353.81840852400336,"volume_molar":8.522977038442928,"formula_full":"Fe4 Co1 Bi5 O15","formula_reduced":"Fe4Co(BiO3)5","formula_anonymous":"AB4C5D15","energy":-174.4425551,"energy_per_atom":-6.977702204,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.4755551,"band_gap":1.082,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.003711,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.902000Z","spacegroup":1},{"id":"mp-17473","created_at":"2022-09-04T14:40:18.442836Z","structure_string":"Na16 Al16 As24\n1.0\n6.779762 0.000000 0.000000\n0.000000 13.222165 0.000000\n0.000000 0.084213 14.593330\nNa Al As\n16 16 24\ndirect\n0.054500 0.861516 0.009160 Na\n0.554500 0.138484 0.490840 Na\n0.945500 0.138484 0.990840 Na\n0.445500 0.861516 0.509160 Na\n0.410851 0.350457 0.981130 Na\n0.910851 0.649543 0.518870 Na\n0.589149 0.649543 0.018870 Na\n0.089149 0.350457 0.481130 Na\n0.452292 0.086049 0.892787 Na\n0.952292 0.913951 0.607213 Na\n0.547708 0.913951 0.107213 Na\n0.047708 0.086049 0.392787 Na\n0.099150 0.566244 0.085247 Na\n0.599150 0.433756 0.414753 Na\n0.900850 0.433756 0.914753 Na\n0.400850 0.566244 0.585247 Na\n0.712008 0.315646 0.165594 Al\n0.212008 0.684354 0.334406 Al\n0.287992 0.684354 0.834406 Al\n0.787992 0.315646 0.665594 Al\n0.203300 0.906136 0.269985 Al\n0.703300 0.093864 0.230015 Al\n0.796700 0.093864 0.730015 Al\n0.296700 0.906136 0.769985 Al\n0.236913 0.189131 0.172668 Al\n0.736913 0.810869 0.327332 Al\n0.763087 0.810869 0.827332 Al\n0.263087 0.189131 0.672668 Al\n0.236307 0.410838 0.240522 Al\n0.736307 0.589162 0.259478 Al\n0.763693 0.589162 0.759478 Al\n0.263693 0.410838 0.740522 Al\n0.029539 0.033673 0.173322 As\n0.529539 0.966327 0.326678 As\n0.970461 0.966327 0.826678 As\n0.470461 0.033673 0.673322 As\n0.546123 0.161837 0.086418 As\n0.046123 0.838163 0.413582 As\n0.453877 0.838163 0.913582 As\n0.953877 0.161837 0.586418 As\n0.049284 0.339455 0.104862 As\n0.549284 0.660545 0.395138 As\n0.950716 0.660545 0.895138 As\n0.450716 0.339455 0.604862 As\n0.163141 0.252974 0.829689 As\n0.663141 0.747026 0.670311 As\n0.836859 0.747026 0.170311 As\n0.336859 0.252974 0.329689 As\n0.530416 0.479623 0.157382 As\n0.030416 0.520377 0.342618 As\n0.469584 0.520377 0.842618 As\n0.969584 0.479623 0.657382 As\n0.789213 0.249931 0.825768 As\n0.289213 0.750069 0.674232 As\n0.210787 0.750069 0.174232 As\n0.710787 0.249931 0.325768 As\n","nsites":56,"nelements":3,"elements":["Na","Al","As"],"chemical_system":"Al-As-Na","density":3.2973106667891416,"density_atomic":0.04280717841835422,"volume":1308.1918049517872,"volume_molar":14.068062840175228,"formula_full":"Na16 Al16 As24","formula_reduced":"Na2Al2As3","formula_anonymous":"A2B2C3","energy":-220.60992588,"energy_per_atom":-3.939462962142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.60992588,"band_gap":1.1771000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008675,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.711000Z","spacegroup":14},{"id":"mp-1105189","created_at":"2022-09-04T14:40:18.449636Z","structure_string":"Cu4 Ag2 P2 S8\n1.0\n6.205047 0.000000 0.000000\n0.000000 6.321748 0.000000\n0.000000 0.000000 7.661543\nCu Ag P S\n4 2 2 8\ndirect\n0.009741 0.185237 0.752575 Cu\n0.009741 0.185237 0.247425 Cu\n0.509741 0.814763 0.747425 Cu\n0.509741 0.814763 0.252575 Cu\n0.004619 0.647203 0.500000 Ag\n0.504619 0.352797 0.000000 Ag\n0.500597 0.312544 0.500000 P\n0.000597 0.687456 0.000000 P\n0.378082 0.160040 0.721261 S\n0.378082 0.160040 0.278739 S\n0.878082 0.839960 0.778739 S\n0.878082 0.839960 0.221261 S\n0.836542 0.280289 0.500000 S\n0.336542 0.719711 0.000000 S\n0.411166 0.631834 0.500000 S\n0.911166 0.368166 0.000000 S\n","nsites":16,"nelements":4,"elements":["Cu","Ag","P","S"],"chemical_system":"Ag-Cu-P-S","density":4.356026992918339,"density_atomic":0.05323796961614382,"volume":300.53738178527715,"volume_molar":11.311740104704995,"formula_full":"Cu4 Ag2 P2 S8","formula_reduced":"Cu2AgPS4","formula_anonymous":"ABC2D4","energy":-73.81886902,"energy_per_atom":-4.61367931375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.79486902,"band_gap":1.0718000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.63e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.569000Z","spacegroup":31},{"id":"mp-1205631","created_at":"2022-09-04T14:40:18.453087Z","structure_string":"Sr8 Co4 Sb4 O24\n1.0\n7.953126 -0.000484 -0.011277\n3.982707 -8.086253 -3.979528\n0.011302 0.000380 -7.948524\nSr Co Sb O\n8 4 4 24\ndirect\n0.627805 0.249869 0.624772 Sr\n0.375283 0.749870 0.877786 Sr\n0.122292 0.249919 0.125403 Sr\n0.874882 0.749881 0.372276 Sr\n0.374940 0.750111 0.372565 Sr\n0.122579 0.250071 0.624907 Sr\n0.874949 0.750152 0.877236 Sr\n0.627271 0.250140 0.125059 Sr\n0.750687 0.498652 0.750670 Co\n0.500786 0.998450 0.000808 Co\n0.999227 0.001586 0.499182 Co\n0.249303 0.501362 0.249373 Co\n0.749963 0.500057 0.249966 Sb\n0.500010 0.999990 0.500022 Sb\n0.250026 0.499959 0.750042 Sb\n0.999989 0.000032 0.999967 Sb\n0.753245 0.998731 0.499805 O\n0.503162 0.501255 0.749219 O\n0.249060 0.000273 0.000577 O\n0.999911 0.499644 0.249638 O\n0.248060 0.998630 0.501502 O\n0.995554 0.501326 0.749481 O\n0.750663 0.000300 0.999153 O\n0.500352 0.499810 0.250659 O\n0.873930 0.251971 0.374036 O\n0.622242 0.755598 0.622154 O\n0.372079 0.255818 0.872181 O\n0.123948 0.752208 0.123716 O\n0.127946 0.744218 0.627835 O\n0.876073 0.247751 0.876158 O\n0.626036 0.747981 0.125911 O\n0.377715 0.244433 0.377940 O\n0.001079 0.999657 0.749988 O\n0.750075 0.500186 0.000719 O\n0.498594 0.001493 0.245524 O\n0.251176 0.498635 0.497593 O\n0.999312 0.999580 0.250359 O\n0.749743 0.500194 0.499081 O\n0.499993 0.001329 0.753090 O\n0.250060 0.498874 0.003648 O\n","nsites":40,"nelements":4,"elements":["Sr","Co","Sb","O"],"chemical_system":"Co-O-Sb-Sr","density":5.872349078542671,"density_atomic":0.07825137620177618,"volume":511.17311850027335,"volume_molar":7.695891180842016,"formula_full":"Sr8 Co4 Sb4 O24","formula_reduced":"Sr2CoSbO6","formula_anonymous":"ABC2D6","energy":-271.38532234,"energy_per_atom":-6.784633058500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.34532234,"band_gap":0.2016999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.684000Z","spacegroup":225},{"id":"mp-1177897","created_at":"2022-09-04T14:40:18.453831Z","structure_string":"Li6 Mn3 Fe3 B6 O18\n1.0\n4.110848 -7.120197 0.000000\n4.110848 7.120197 0.000000\n0.000000 0.000000 6.339369\nLi Mn Fe B O\n6 3 3 6 18\ndirect\n0.282209 0.981813 0.252920 Li\n0.282209 0.981813 0.747080 Li\n0.018187 0.300396 0.252920 Li\n0.018187 0.300396 0.747080 Li\n0.699604 0.717791 0.747080 Li\n0.699604 0.717791 0.252920 Li\n0.370778 0.358115 0.000000 Mn\n0.641885 0.012664 0.000000 Mn\n0.987336 0.629222 0.000000 Mn\n0.371967 0.362123 0.500000 Fe\n0.637877 0.009844 0.500000 Fe\n0.990156 0.628033 0.500000 Fe\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.333333 0.666667 0.255955 B\n0.333333 0.666667 0.744045 B\n0.666667 0.333333 0.253601 B\n0.666667 0.333333 0.746399 B\n0.109222 0.913319 0.500000 O\n0.118498 0.924084 0.000000 O\n0.138641 0.579777 0.254210 O\n0.138641 0.579777 0.745790 O\n0.075916 0.194414 0.000000 O\n0.086681 0.195903 0.500000 O\n0.441137 0.861359 0.254210 O\n0.441137 0.861359 0.745790 O\n0.420223 0.558863 0.254210 O\n0.420223 0.558863 0.745790 O\n0.471856 0.250530 0.252566 O\n0.471856 0.250530 0.747434 O\n0.805586 0.881502 0.000000 O\n0.804097 0.890778 0.500000 O\n0.778674 0.528144 0.252566 O\n0.778674 0.528144 0.747434 O\n0.749470 0.221326 0.747434 O\n0.749470 0.221326 0.252566 O\n","nsites":36,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.252330233187342,"density_atomic":0.09700699345277823,"volume":371.10726473060254,"volume_molar":6.207944959072978,"formula_full":"Li6 Mn3 Fe3 B6 O18","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy":-280.83485442,"energy_per_atom":-7.800968178333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.69685442,"band_gap":2.7636,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":27.0091939,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.029000Z","spacegroup":174},{"id":"mp-1035836","created_at":"2022-09-04T14:40:18.457541Z","structure_string":"K1 Mg14 B1 O15\n1.0\n4.503692 0.000000 0.000000\n0.000000 8.309084 0.000000\n0.000000 0.000000 8.697616\nK Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.984998 K\n0.000000 0.000000 0.503333 Mg\n0.000000 0.500000 0.494665 Mg\n0.500000 0.738251 0.001278 Mg\n0.500000 0.261749 0.001278 Mg\n0.500000 0.749641 0.497231 Mg\n0.500000 0.250359 0.497231 Mg\n0.500000 0.000000 0.745657 Mg\n0.500000 0.500000 0.758267 Mg\n0.500000 0.000000 0.248839 Mg\n0.500000 0.500000 0.245817 Mg\n0.000000 0.733720 0.738676 Mg\n0.000000 0.266280 0.738676 Mg\n0.000000 0.756684 0.255087 Mg\n0.000000 0.243316 0.255087 Mg\n0.000000 0.500000 0.060994 B\n0.000000 0.500000 0.721238 O\n0.000000 0.000000 0.268019 O\n0.000000 0.500000 0.232815 O\n0.500000 0.746614 0.753115 O\n0.500000 0.253386 0.753115 O\n0.500000 0.750225 0.247530 O\n0.500000 0.249775 0.247530 O\n0.500000 0.000000 0.003563 O\n0.500000 0.500000 0.010185 O\n0.500000 0.000000 0.498803 O\n0.500000 0.500000 0.485628 O\n0.000000 0.667214 0.009087 O\n0.000000 0.332786 0.009087 O\n0.000000 0.745453 0.491584 O\n0.000000 0.254547 0.491584 O\n","nsites":31,"nelements":4,"elements":["K","Mg","B","O"],"chemical_system":"B-K-Mg-O","density":3.215029536605631,"density_atomic":0.09524443997667205,"volume":325.4783167142643,"volume_molar":6.322826572842453,"formula_full":"K1 Mg14 B1 O15","formula_reduced":"KMg14BO15","formula_anonymous":"ABC14D15","energy":-187.25349325,"energy_per_atom":-6.040435266129032,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.94849325,"band_gap":1.6036,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016402,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.160000Z","spacegroup":25},{"id":"mp-1112216","created_at":"2022-09-04T14:40:18.458804Z","structure_string":"K2 Tl1 Cu1 Br6\n1.0\n0.000000 5.460393 5.460393\n5.460393 0.000000 5.460393\n5.460393 5.460393 0.000000\nK Tl Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737266 0.262734 0.262734 Br\n0.262734 0.262734 0.737266 Br\n0.262734 0.737266 0.737266 Br\n0.262734 0.737266 0.262734 Br\n0.737266 0.262734 0.737266 Br\n0.737266 0.737266 0.262734 Br\n","nsites":10,"nelements":4,"elements":["K","Tl","Cu","Br"],"chemical_system":"Br-Cu-K-Tl","density":4.210083672453663,"density_atomic":0.030711307088348506,"volume":325.6129728126706,"volume_molar":19.608871555599556,"formula_full":"K2 Tl1 Cu1 Br6","formula_reduced":"K2TlCuBr6","formula_anonymous":"ABC2D6","energy":-31.24804331,"energy_per_atom":-3.124804331,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.04404331,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052844,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.960000Z","spacegroup":225},{"id":"mp-1078625","created_at":"2022-09-04T14:40:18.751640Z","structure_string":"Tm4 In2 Au4\n1.0\n7.967016 0.000000 0.000000\n0.000000 7.967016 0.000000\n0.000000 0.000000 3.635107\nTm In Au\n4 2 4\ndirect\n0.169356 0.330644 0.000000 Tm\n0.830644 0.669356 0.000000 Tm\n0.669356 0.169356 0.000000 Tm\n0.330644 0.830644 0.000000 Tm\n0.000000 0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.370930 0.129070 0.500000 Au\n0.629070 0.870930 0.500000 Au\n0.870930 0.370930 0.500000 Au\n0.129070 0.629070 0.500000 Au\n","nsites":10,"nelements":3,"elements":["Tm","In","Au"],"chemical_system":"Au-In-Tm","density":12.185933744763755,"density_atomic":0.04334025102238524,"volume":230.73239688517262,"volume_molar":13.895029719346951,"formula_full":"Tm4 In2 Au4","formula_reduced":"Tm2InAu2","formula_anonymous":"AB2C2","energy":-44.61028616,"energy_per_atom":-4.461028616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.61028616,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043262,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.145000Z","spacegroup":127},{"id":"mp-758000","created_at":"2022-09-04T14:40:22.781683Z","structure_string":"Li24 Fe24 P24 O96\n1.0\n5.062440 -8.768403 0.000000\n5.062440 8.768403 0.000000\n0.000000 0.000000 22.915874\nLi Fe P O\n24 24 24 96\ndirect\n0.002072 0.943323 0.418920 Li\n0.063592 0.563129 0.916442 Li\n0.061237 0.515981 0.256106 Li\n0.018864 0.477882 0.586998 Li\n0.459019 0.981136 0.920331 Li\n0.454744 0.938763 0.589440 Li\n0.056677 0.058749 0.085587 Li\n0.499537 0.936408 0.249775 Li\n0.058749 0.002072 0.252254 Li\n0.436871 0.500463 0.583108 Li\n0.484019 0.545256 0.922773 Li\n0.522118 0.540981 0.253664 Li\n0.477882 0.459019 0.753664 Li\n0.515981 0.454744 0.422773 Li\n0.563129 0.499537 0.083108 Li\n0.941251 0.997928 0.752254 Li\n0.500463 0.063592 0.749775 Li\n0.943323 0.941251 0.585587 Li\n0.545256 0.061237 0.089440 Li\n0.540981 0.018864 0.420331 Li\n0.981136 0.522118 0.086998 Li\n0.938763 0.484019 0.756106 Li\n0.936408 0.436871 0.416442 Li\n0.997928 0.056677 0.918920 Li\n0.143856 0.832695 0.679046 Fe\n0.187147 0.883434 0.009640 Fe\n0.173775 0.787013 0.376770 Fe\n0.116566 0.303713 0.676307 Fe\n0.331176 0.676151 0.818361 Fe\n0.323849 0.655024 0.485027 Fe\n0.344976 0.668824 0.151694 Fe\n0.167305 0.311161 0.345712 Fe\n0.212987 0.386762 0.043437 Fe\n0.613238 0.826225 0.710104 Fe\n0.303713 0.187147 0.842974 Fe\n0.311161 0.143856 0.512379 Fe\n0.688839 0.856144 0.012379 Fe\n0.696287 0.812853 0.342974 Fe\n0.386762 0.173775 0.210104 Fe\n0.787013 0.613238 0.543437 Fe\n0.832695 0.688839 0.845712 Fe\n0.655024 0.331176 0.651694 Fe\n0.676151 0.344976 0.985027 Fe\n0.668824 0.323849 0.318361 Fe\n0.883434 0.696287 0.176307 Fe\n0.826225 0.212987 0.876770 Fe\n0.812853 0.116566 0.509640 Fe\n0.856144 0.167305 0.179046 Fe\n0.172346 0.854895 0.813433 P\n0.129075 0.777604 0.508915 P\n0.217506 0.880520 0.146827 P\n0.119480 0.336986 0.813494 P\n0.327436 0.688606 0.009045 P\n0.145105 0.317451 0.480100 P\n0.311394 0.638831 0.675711 P\n0.361169 0.672564 0.342378 P\n0.222396 0.351470 0.175582 P\n0.648530 0.870925 0.842248 P\n0.336986 0.217506 0.980161 P\n0.317451 0.172346 0.646767 P\n0.682549 0.827654 0.146767 P\n0.663014 0.782494 0.480161 P\n0.351470 0.129075 0.342248 P\n0.777604 0.648530 0.675582 P\n0.638831 0.327436 0.842378 P\n0.688606 0.361169 0.175711 P\n0.854895 0.682549 0.980100 P\n0.672564 0.311394 0.509045 P\n0.880520 0.663014 0.313494 P\n0.782494 0.119480 0.646827 P\n0.870925 0.222396 0.008915 P\n0.827654 0.145105 0.313433 P\n0.017438 0.707175 0.799029 O\n0.132823 0.969657 0.843124 O\n0.012154 0.680875 0.557153 O\n0.128728 0.928821 0.496311 O\n0.176864 0.983362 0.185172 O\n0.070465 0.726272 0.133216 O\n0.079937 0.675911 0.452355 O\n0.261194 0.920583 0.755387 O\n0.286838 0.963877 0.088220 O\n0.158072 0.638538 0.677676 O\n0.211111 0.713167 0.973188 O\n0.274549 0.822605 0.855061 O\n0.212004 0.655739 0.316279 O\n0.290483 0.812671 0.527732 O\n0.036123 0.322960 0.754887 O\n0.338555 0.857093 0.179883 O\n0.142907 0.481463 0.846550 O\n0.016638 0.193502 0.851839 O\n0.079417 0.340611 0.422053 O\n0.030343 0.163166 0.509791 O\n0.255199 0.630317 0.070952 O\n0.071179 0.199907 0.162977 O\n0.177395 0.451944 0.521728 O\n0.187329 0.477812 0.194399 O\n0.375117 0.744801 0.404285 O\n0.286833 0.497944 0.639855 O\n0.369683 0.624883 0.737618 O\n0.344261 0.556265 0.982946 O\n0.443735 0.787996 0.649613 O\n0.480466 0.841928 0.011010 O\n0.361462 0.519534 0.344343 O\n0.163166 0.132823 0.676458 O\n0.193502 0.176864 0.018506 O\n0.273728 0.344193 0.799883 O\n0.324089 0.404026 0.119021 O\n0.502056 0.788889 0.306521 O\n0.199907 0.128728 0.329644 O\n0.292825 0.310262 0.465696 O\n0.319125 0.331279 0.223820 O\n0.522188 0.709517 0.861065 O\n0.595974 0.920063 0.785688 O\n0.548056 0.725451 0.188394 O\n0.322960 0.286838 0.921554 O\n0.668721 0.987846 0.890486 O\n0.518537 0.661445 0.513216 O\n0.340611 0.261194 0.588720 O\n0.655807 0.929535 0.466549 O\n0.689738 0.982562 0.132362 O\n0.310262 0.017438 0.632362 O\n0.344193 0.070465 0.966549 O\n0.659389 0.738806 0.088720 O\n0.481463 0.338555 0.013216 O\n0.331279 0.012154 0.390486 O\n0.677040 0.713162 0.421554 O\n0.451944 0.274549 0.688394 O\n0.404026 0.079937 0.285688 O\n0.477812 0.290483 0.361065 O\n0.680875 0.668721 0.723820 O\n0.707175 0.689738 0.965696 O\n0.800093 0.871272 0.829644 O\n0.497944 0.211111 0.806521 O\n0.675911 0.595974 0.619021 O\n0.726272 0.655807 0.299883 O\n0.806498 0.823136 0.518506 O\n0.836834 0.867177 0.176458 O\n0.638538 0.480466 0.844343 O\n0.519534 0.158072 0.511010 O\n0.556265 0.212004 0.149613 O\n0.655739 0.443735 0.482946 O\n0.630317 0.375117 0.237618 O\n0.713167 0.502056 0.139855 O\n0.624883 0.255199 0.904285 O\n0.812671 0.522188 0.694399 O\n0.822605 0.548056 0.021728 O\n0.928821 0.800093 0.662977 O\n0.744801 0.369683 0.570952 O\n0.969657 0.836834 0.009791 O\n0.920583 0.659389 0.922053 O\n0.983362 0.806498 0.351839 O\n0.857093 0.518537 0.346550 O\n0.661445 0.142907 0.679883 O\n0.963877 0.677040 0.254887 O\n0.709517 0.187329 0.027732 O\n0.787996 0.344261 0.816279 O\n0.725451 0.177395 0.355061 O\n0.788889 0.286833 0.473188 O\n0.841928 0.361462 0.177676 O\n0.713162 0.036123 0.588220 O\n0.738806 0.079417 0.255387 O\n0.920063 0.324089 0.952355 O\n0.929535 0.273728 0.633216 O\n0.823136 0.016638 0.685172 O\n0.871272 0.071179 0.996311 O\n0.987846 0.319125 0.057153 O\n0.867177 0.030343 0.343124 O\n0.982562 0.292825 0.299029 O\n","nsites":168,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.0903179344586396,"density_atomic":0.08257764046932782,"volume":2034.4490233091728,"volume_molar":7.292701421078785,"formula_full":"Li24 Fe24 P24 O96","formula_reduced":"LiFePO4","formula_anonymous":"ABCD4","energy":-1241.36846339,"energy_per_atom":-7.389097996369047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1121.27246339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":95.9986726,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.703000Z","spacegroup":170}]}