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{
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{
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"structure_string": "Li4 Fe4 P8 O28\n1.0\n6.456439 0.000000 0.000000\n-2.754740 -8.954337 0.000000\n0.751643 4.340758 -9.553656\nLi Fe P O\n4 4 8 28\ndirect\n0.081308 0.068254 0.058471 Li\n0.651620 0.058715 0.596301 Li\n0.960454 0.847509 0.520498 Li\n0.561817 0.511328 0.974894 Li\n0.725333 0.092512 0.229453 Fe\n0.634865 0.494586 0.245507 Fe\n0.348966 0.492659 0.738510 Fe\n0.279510 0.898727 0.784494 Fe\n0.416279 0.694442 0.535812 P\n0.583973 0.306631 0.462441 P\n0.926286 0.806364 0.207775 P\n0.697420 0.190942 0.956625 P\n0.118113 0.442529 0.291883 P\n0.313400 0.796992 0.045247 P\n0.880909 0.557565 0.701217 P\n0.077662 0.176358 0.797152 P\n0.615959 0.671948 0.451010 O\n0.946496 0.515295 0.271448 O\n0.927635 0.274933 0.909454 O\n0.950699 0.070382 0.657811 O\n0.015346 0.873435 0.354161 O\n0.085048 0.718330 0.094163 O\n0.043450 0.477473 0.722294 O\n0.023816 0.263765 0.271660 O\n0.267019 0.895559 0.968459 O\n0.207160 0.546736 0.455105 O\n0.367692 0.858637 0.570661 O\n0.457815 0.914379 0.177407 O\n0.319301 0.465650 0.208317 O\n0.133240 0.071987 0.864891 O\n0.392462 0.652874 0.948300 O\n0.742179 0.104515 0.042720 O\n0.283383 0.311792 0.801257 O\n0.388671 0.336908 0.546886 O\n0.428310 0.690235 0.681545 O\n0.711784 0.664277 0.169088 O\n0.570069 0.299462 0.312993 O\n0.603284 0.332786 0.039306 O\n0.903095 0.939449 0.162640 O\n0.684123 0.535694 0.788724 O\n0.565170 0.069903 0.818547 O\n0.644499 0.151057 0.442118 O\n0.790900 0.461366 0.539290 O\n0.989568 0.732729 0.713339 O\n",
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"formula_full": "Li4 Fe4 P8 O28",
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{
"id": "mp-1196542",
"created_at": "2022-09-04T14:42:25.237834Z",
"structure_string": "Ni2 P8 N4 O38\n1.0\n7.083326 0.000000 0.000000\n-0.667646 9.569311 0.000000\n-1.848659 -2.028641 12.936371\nNi P N O\n2 8 4 38\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.829122 0.309272 0.029211 P\n0.170878 0.690728 0.970789 P\n0.693548 0.087075 0.149969 P\n0.306452 0.912925 0.850031 P\n0.962634 0.513299 0.221152 P\n0.037366 0.486701 0.778848 P\n0.950560 0.265789 0.331629 P\n0.049440 0.734211 0.668371 P\n0.341317 0.458450 0.228199 N\n0.658683 0.541550 0.771801 N\n0.743061 0.741405 0.008832 N\n0.256939 0.258595 0.991168 N\n0.956235 0.199591 0.983253 O\n0.043765 0.800409 0.016747 O\n0.287735 0.609941 0.038169 O\n0.712265 0.390059 0.961831 O\n0.695698 0.230382 0.096868 O\n0.304302 0.769618 0.903132 O\n0.835163 0.992437 0.103447 O\n0.164837 0.007563 0.896553 O\n0.492797 0.029007 0.143259 O\n0.507203 0.970993 0.856741 O\n0.784277 0.147422 0.268454 O\n0.215723 0.852578 0.731546 O\n0.142502 0.241432 0.299338 O\n0.857498 0.758568 0.700662 O\n0.932789 0.277883 0.443886 O\n0.067211 0.722117 0.556114 O\n0.875191 0.409551 0.291506 O\n0.124809 0.590449 0.708494 O\n0.841794 0.629705 0.208267 O\n0.158206 0.370295 0.791733 O\n0.178277 0.558232 0.272123 O\n0.821723 0.441768 0.727877 O\n0.983641 0.409186 0.117169 O\n0.016359 0.590814 0.882831 O\n0.482416 0.479698 0.285255 O\n0.517584 0.520302 0.714745 O\n0.480988 0.677457 0.471429 O\n0.519012 0.322543 0.528571 O\n0.667635 0.748313 0.457304 O\n0.332365 0.251687 0.542696 O\n0.325473 0.253042 0.071629 O\n0.674527 0.746958 0.928371 O\n0.281396 0.933453 0.311423 O\n0.718604 0.066547 0.688577 O\n0.419326 0.978908 0.376243 O\n0.580674 0.021092 0.623757 O\n0.658572 0.799949 0.376102 O\n0.341428 0.200051 0.623898 O\n",
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"formula_full": "Ni2 P8 N4 O38",
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"energy": -332.87328465,
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"updated_at": "2021-11-28T01:35:46.397000Z",
"spacegroup": 2
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{
"id": "mp-1577240",
"created_at": "2022-09-04T14:39:19.403634Z",
"structure_string": "Na12 Co4 B4 As4 O28\n1.0\n0.064815 6.860151 5.283052\n0.055084 -6.855632 5.275725\n9.096163 0.006672 0.131069\nNa Co B As O\n12 4 4 4 28\ndirect\n0.509340 0.260037 0.084293 Na\n0.004383 0.754375 0.078820 Na\n0.495022 0.741456 0.917261 Na\n0.994480 0.247017 0.917460 Na\n0.122864 0.122986 0.244656 Na\n0.622373 0.621480 0.246500 Na\n0.375123 0.872919 0.243759 Na\n0.873514 0.370842 0.243625 Na\n0.625485 0.126927 0.755025 Na\n0.126835 0.624284 0.753272 Na\n0.871967 0.876412 0.751756 Na\n0.374059 0.376479 0.752325 Na\n0.263853 0.512968 0.334314 Co\n0.735771 0.487554 0.667883 Co\n0.763848 0.012877 0.334605 Co\n0.228370 0.980178 0.670827 Co\n0.744160 0.993577 0.063983 B\n0.245016 0.494554 0.064085 B\n0.262426 0.013195 0.930696 B\n0.757282 0.507554 0.937266 B\n0.479308 0.229746 0.427572 As\n0.984759 0.734373 0.422659 As\n0.517272 0.765365 0.577128 As\n0.014317 0.267430 0.577039 As\n0.283243 0.032346 0.075524 O\n0.781064 0.530364 0.082378 O\n0.716415 0.966469 0.920256 O\n0.218420 0.469770 0.919908 O\n0.862545 0.114078 0.123521 O\n0.363503 0.613855 0.125039 O\n0.143840 0.894426 0.865166 O\n0.637157 0.390431 0.875374 O\n0.649523 0.895762 0.176926 O\n0.149207 0.395959 0.175767 O\n0.355058 0.108090 0.818594 O\n0.856902 0.604753 0.827602 O\n0.316564 0.069884 0.470285 O\n0.823564 0.573420 0.463118 O\n0.680689 0.925504 0.538248 O\n0.178486 0.426687 0.537564 O\n0.439747 0.689369 0.412876 O\n0.937619 0.190677 0.412588 O\n0.561257 0.310573 0.587926 O\n0.060205 0.809480 0.588089 O\n0.421881 0.365997 0.314052 O\n0.927719 0.872022 0.311177 O\n0.613351 0.167872 0.314566 O\n0.121123 0.674447 0.311589 O\n0.383788 0.823599 0.691216 O\n0.879233 0.330996 0.686987 O\n0.576981 0.626851 0.685934 O\n0.069086 0.131735 0.690919 O\n",
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{
"id": "mp-1042041",
"created_at": "2022-09-04T14:39:38.397149Z",
"structure_string": "Mn4 Zn4 P8 O28\n1.0\n5.611303 -0.108994 0.315797\n-1.447185 12.299980 1.470748\n0.130526 0.024377 7.464982\nMn Zn P O\n4 4 8 28\ndirect\n0.842094 0.577843 0.194412 Mn\n0.158011 0.422141 0.805405 Mn\n0.341779 0.077869 0.194805 Mn\n0.657871 0.922213 0.805661 Mn\n0.657308 0.326207 0.653351 Zn\n0.157383 0.826191 0.653331 Zn\n0.842544 0.173795 0.346630 Zn\n0.342694 0.673751 0.346648 Zn\n0.539213 0.341700 0.089054 P\n0.039265 0.841720 0.089064 P\n0.960836 0.158319 0.910954 P\n0.460823 0.658316 0.910894 P\n0.319043 0.099040 0.615174 P\n0.819058 0.599022 0.615070 P\n0.180919 0.400958 0.384873 P\n0.680950 0.900934 0.384881 P\n0.452156 0.342693 0.897555 O\n0.952285 0.842703 0.897552 O\n0.047769 0.157316 0.102491 O\n0.547816 0.657303 0.102401 O\n0.745524 0.430247 0.101969 O\n0.245461 0.930317 0.102032 O\n0.754630 0.069762 0.897960 O\n0.254533 0.569770 0.897961 O\n0.584055 0.227232 0.168673 O\n0.084243 0.727269 0.168668 O\n0.915876 0.272763 0.831314 O\n0.415961 0.772772 0.831282 O\n0.940103 0.323841 0.426337 O\n0.440094 0.823829 0.426346 O\n0.559899 0.176150 0.573640 O\n0.059912 0.676124 0.573623 O\n0.156032 0.108785 0.459204 O\n0.656150 0.608773 0.459045 O\n0.343825 0.391207 0.540905 O\n0.843894 0.891180 0.540879 O\n0.200061 0.135702 0.794947 O\n0.700005 0.635669 0.794842 O\n0.300028 0.364317 0.205127 O\n0.799945 0.864285 0.205081 O\n0.641243 0.020082 0.330777 O\n0.141196 0.520102 0.330739 O\n0.858741 0.479876 0.669198 O\n0.358777 0.979905 0.669242 O\n",
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{
"id": "mp-1075974",
"created_at": "2022-09-04T14:43:56.142012Z",
"structure_string": "Ba3 Sr5 Ti7 Mn1 O24\n1.0\n5.619903 5.620761 0.000000\n-5.619903 5.620761 0.000000\n0.000000 0.001411 7.945930\nBa Sr Ti Mn O\n3 5 7 1 24\ndirect\n0.751509 0.248375 0.751555 Ba\n0.248414 0.248414 0.751558 Ba\n0.248375 0.751509 0.751555 Ba\n0.751937 0.248019 0.248422 Sr\n0.248085 0.248085 0.248486 Sr\n0.751940 0.751940 0.248295 Sr\n0.248019 0.751937 0.248422 Sr\n0.751756 0.751756 0.751729 Sr\n0.502374 0.998603 0.004019 Ti\n0.998682 0.998682 0.493347 Ti\n0.501379 0.998572 0.495908 Ti\n0.998603 0.502374 0.004019 Ti\n0.501353 0.501353 0.004223 Ti\n0.998572 0.501379 0.495908 Ti\n0.501357 0.501357 0.495954 Ti\n0.999180 0.999180 0.002592 Mn\n0.999134 0.246489 0.008936 O\n0.500934 0.249151 0.008423 O\n0.998961 0.249301 0.491731 O\n0.501001 0.249483 0.491739 O\n0.996165 0.753132 0.005712 O\n0.503473 0.750726 0.005758 O\n0.996494 0.750590 0.494461 O\n0.503445 0.750464 0.494402 O\n0.999024 0.999024 0.247282 O\n0.501046 0.998829 0.249414 O\n0.995763 0.995763 0.753463 O\n0.503816 0.996133 0.750965 O\n0.998829 0.501046 0.249414 O\n0.501108 0.501108 0.249553 O\n0.996133 0.503816 0.750965 O\n0.503802 0.503802 0.750630 O\n0.753132 0.996165 0.005712 O\n0.246489 0.999134 0.008936 O\n0.750590 0.996494 0.494461 O\n0.249301 0.998961 0.491731 O\n0.750726 0.503473 0.005758 O\n0.249151 0.500934 0.008423 O\n0.750464 0.503445 0.494402 O\n0.249483 0.501001 0.491739 O\n",
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{
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