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{
"count": 146323,
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{
"id": "mp-849717",
"created_at": "2022-09-04T14:39:48.200545Z",
"structure_string": "Li6 Mn8 P16 O56\n1.0\n9.687269 -0.006472 0.175243\n0.121753 9.670998 0.008720\n-2.164808 0.002267 10.837939\nLi Mn P O\n6 8 16 56\ndirect\n0.091293 0.103149 0.022044 Li\n0.417127 0.595937 0.976732 Li\n0.391221 0.206546 0.545330 Li\n0.906544 0.894754 0.978680 Li\n0.835826 0.581192 0.461324 Li\n0.889982 0.283451 0.551250 Li\n0.195064 0.920941 0.662972 Mn\n0.274688 0.220131 0.836385 Mn\n0.227504 0.714262 0.167466 Mn\n0.304175 0.429609 0.333034 Mn\n0.695678 0.580394 0.673657 Mn\n0.756366 0.293431 0.830869 Mn\n0.719580 0.774293 0.167416 Mn\n0.806870 0.072777 0.333278 Mn\n0.023518 0.441167 0.752761 P\n0.118438 0.709260 0.883226 P\n0.061985 0.930380 0.242781 P\n0.131510 0.152985 0.427604 P\n0.373637 0.648963 0.574682 P\n0.430460 0.424878 0.758337 P\n0.532407 0.062504 0.757187 P\n0.386703 0.213739 0.116939 P\n0.612642 0.791023 0.885194 P\n0.465715 0.937241 0.247690 P\n0.564156 0.569411 0.242628 P\n0.629059 0.346545 0.423448 P\n0.872982 0.857399 0.567526 P\n0.938487 0.067868 0.757738 P\n0.880930 0.288302 0.116926 P\n0.970039 0.561441 0.242029 P\n0.019004 0.417989 0.619178 O\n0.031730 0.852820 0.558668 O\n0.088944 0.071533 0.722985 O\n0.108332 0.334880 0.841463 O\n0.098616 0.586066 0.784366 O\n0.186231 0.824157 0.812970 O\n0.227548 0.656593 0.996138 O\n0.022199 0.253456 0.091039 O\n0.129974 0.069595 0.302313 O\n0.061155 0.938279 0.107252 O\n0.120750 0.553448 0.205295 O\n0.199531 0.291322 0.407648 O\n0.157532 0.809081 0.297911 O\n0.223828 0.073177 0.533231 O\n0.291144 0.570124 0.466604 O\n0.337343 0.305966 0.694179 O\n0.319042 0.794200 0.599326 O\n0.380627 0.055800 0.793210 O\n0.364060 0.566127 0.699206 O\n0.415066 0.423788 0.890580 O\n0.473363 0.759868 0.913894 O\n0.274394 0.163575 0.003027 O\n0.318206 0.330458 0.186758 O\n0.398639 0.088541 0.214650 O\n0.413084 0.578915 0.272903 O\n0.372855 0.838675 0.155646 O\n0.533942 0.092819 0.626486 O\n0.478462 0.337200 0.444201 O\n0.533653 0.650563 0.571006 O\n0.469071 0.912940 0.379711 O\n0.623650 0.159526 0.851358 O\n0.582686 0.415511 0.730168 O\n0.601484 0.912318 0.785695 O\n0.685164 0.673437 0.819823 O\n0.720251 0.839916 0.999743 O\n0.523324 0.243101 0.082679 O\n0.570504 0.584893 0.108878 O\n0.624535 0.421977 0.293278 O\n0.616419 0.937457 0.207861 O\n0.698065 0.206226 0.408639 O\n0.669735 0.677284 0.310224 O\n0.724548 0.434297 0.521716 O\n0.785224 0.940554 0.463753 O\n0.847710 0.192770 0.701907 O\n0.818059 0.712127 0.585901 O\n0.867171 0.454981 0.784087 O\n0.938883 0.058318 0.892266 O\n0.864763 0.932180 0.695643 O\n0.981019 0.742562 0.916811 O\n0.779229 0.340012 0.000749 O\n0.812942 0.174254 0.186973 O\n0.897510 0.413801 0.214365 O\n0.880069 0.664286 0.151904 O\n0.911586 0.922930 0.275229 O\n0.976499 0.167053 0.440650 O\n0.974776 0.587136 0.374581 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.0515969929731592,
"density_atomic": 0.08439350581648165,
"volume": 1019.0357559859139,
"volume_molar": 7.1357869325816115,
"formula_full": "Li6 Mn8 P16 O56",
"formula_reduced": "Li3Mn4(P2O7)4",
"formula_anonymous": "A3B4C8D28",
"energy": -658.39449113,
"energy_per_atom": -7.655749896860465,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -606.57849113,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 30.0038591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.495000Z",
"spacegroup": 1
},
{
"id": "mp-849425",
"created_at": "2022-09-04T14:45:08.020396Z",
"structure_string": "Li6 Fe8 P16 O56\n1.0\n9.719301 0.000000 0.000000\n-0.017057 9.848147 0.000000\n-2.287657 -0.039563 10.905577\nLi Fe P O\n6 8 16 56\ndirect\n0.908273 0.106460 0.973759 Li\n0.594456 0.606918 0.029331 Li\n0.406302 0.395714 0.971298 Li\n0.093663 0.894160 0.026876 Li\n0.152990 0.576494 0.526452 Li\n0.113104 0.283166 0.452807 Li\n0.793937 0.915000 0.340169 Fe\n0.753565 0.205009 0.179597 Fe\n0.750784 0.701051 0.821029 Fe\n0.706481 0.418173 0.659778 Fe\n0.299040 0.586440 0.324961 Fe\n0.248453 0.297063 0.176690 Fe\n0.245497 0.789738 0.821201 Fe\n0.204786 0.077316 0.666799 Fe\n0.978443 0.447545 0.247982 P\n0.884468 0.713131 0.118213 P\n0.937187 0.923987 0.761318 P\n0.873132 0.143482 0.570558 P\n0.625102 0.642931 0.428595 P\n0.563109 0.424495 0.238479 P\n0.478288 0.053947 0.247431 P\n0.616604 0.213091 0.883288 P\n0.386739 0.791039 0.113291 P\n0.522623 0.946406 0.752651 P\n0.436707 0.574865 0.762917 P\n0.376234 0.354909 0.576500 P\n0.126847 0.857555 0.427917 P\n0.064513 0.073988 0.239452 P\n0.114593 0.286248 0.882650 P\n0.022320 0.553292 0.754641 P\n0.985461 0.423733 0.381631 O\n0.971907 0.848410 0.434939 O\n0.912564 0.083104 0.265378 O\n0.896978 0.586982 0.212118 O\n0.895014 0.340370 0.160581 O\n0.818664 0.824505 0.184076 O\n0.780195 0.665214 0.998277 O\n0.973350 0.258323 0.908823 O\n0.873140 0.058393 0.694578 O\n0.939666 0.940485 0.895916 O\n0.868512 0.536452 0.778393 O\n0.816798 0.281787 0.597206 O\n0.841419 0.804094 0.709993 O\n0.786607 0.065053 0.464004 O\n0.710771 0.565758 0.535786 O\n0.656662 0.303632 0.289281 O\n0.681355 0.782152 0.403628 O\n0.630336 0.037576 0.222781 O\n0.631923 0.558003 0.304293 O\n0.559239 0.439815 0.103672 O\n0.529025 0.763516 0.089030 O\n0.720702 0.163626 0.002122 O\n0.679969 0.325417 0.817259 O\n0.602812 0.086971 0.787365 O\n0.587792 0.585141 0.735345 O\n0.606321 0.839267 0.838170 O\n0.528135 0.347436 0.563973 O\n0.472761 0.085647 0.379367 O\n0.526487 0.913426 0.620409 O\n0.467915 0.648887 0.431994 O\n0.392716 0.160600 0.161814 O\n0.409684 0.415779 0.266141 O\n0.396869 0.913745 0.211231 O\n0.319604 0.677149 0.175943 O\n0.280819 0.840022 0.995596 O\n0.474381 0.240866 0.909299 O\n0.436322 0.567821 0.897635 O\n0.373429 0.434616 0.703606 O\n0.369647 0.960547 0.776429 O\n0.307870 0.217837 0.592141 O\n0.333922 0.687071 0.703851 O\n0.279120 0.436946 0.475359 O\n0.214679 0.935981 0.534180 O\n0.156618 0.196061 0.296874 O\n0.183623 0.714914 0.406474 O\n0.132022 0.462620 0.219336 O\n0.068469 0.064922 0.105594 O\n0.133527 0.939083 0.302904 O\n0.026977 0.743116 0.094059 O\n0.221694 0.333883 0.001751 O\n0.180224 0.174744 0.815935 O\n0.103500 0.658896 0.846277 O\n0.103929 0.412703 0.789802 O\n0.089807 0.912505 0.733982 O\n0.029906 0.155417 0.561354 O\n0.026911 0.580132 0.624412 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.990596301099736,
"density_atomic": 0.08238729577225586,
"volume": 1043.850258633695,
"volume_molar": 7.309550220761066,
"formula_full": "Li6 Fe8 P16 O56",
"formula_reduced": "Li3Fe4(P2O7)4",
"formula_anonymous": "A3B4C8D28",
"energy": -648.68794665,
"energy_per_atom": -7.5428831005813946,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -592.16794665,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 42.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.865000Z",
"spacegroup": 1
},
{
"id": "mp-1177888",
"created_at": "2022-09-04T14:40:54.012823Z",
"structure_string": "Li6 Mn8 P16 O56\n1.0\n9.666128 -0.028792 0.050683\n0.099709 9.710551 0.013635\n-2.299696 0.013895 11.079272\nLi Mn P O\n6 8 16 56\ndirect\n0.146234 0.398990 0.045120 Li\n0.413694 0.591473 0.977290 Li\n0.399573 0.963099 0.500404 Li\n0.912315 0.908441 0.983367 Li\n0.830350 0.589157 0.456154 Li\n0.892632 0.282913 0.546843 Li\n0.202802 0.933031 0.674154 Mn\n0.275581 0.222943 0.832616 Mn\n0.212981 0.724183 0.165751 Mn\n0.305567 0.433501 0.341172 Mn\n0.700814 0.578004 0.675530 Mn\n0.753674 0.285885 0.826346 Mn\n0.718822 0.771406 0.164371 Mn\n0.808016 0.069604 0.333420 Mn\n0.021058 0.443228 0.758816 P\n0.114395 0.708998 0.886884 P\n0.068294 0.930326 0.246838 P\n0.136326 0.159309 0.421171 P\n0.375092 0.654641 0.581529 P\n0.423610 0.423497 0.754226 P\n0.523831 0.051262 0.746645 P\n0.385831 0.205262 0.111368 P\n0.615355 0.785503 0.884485 P\n0.466934 0.933912 0.238643 P\n0.565207 0.568339 0.244587 P\n0.628411 0.346053 0.419342 P\n0.880617 0.859304 0.572143 P\n0.931769 0.073451 0.759452 P\n0.877254 0.286612 0.117167 P\n0.969364 0.555517 0.243850 P\n0.021874 0.411509 0.630439 O\n0.040849 0.856911 0.572512 O\n0.085180 0.081206 0.733961 O\n0.105441 0.347206 0.856948 O\n0.091095 0.591386 0.784970 O\n0.193244 0.821278 0.834157 O\n0.209412 0.639220 0.001877 O\n0.022513 0.263708 0.089418 O\n0.130496 0.075535 0.294070 O\n0.072062 0.912723 0.114392 O\n0.121407 0.542619 0.209762 O\n0.182592 0.304367 0.391698 O\n0.168841 0.813301 0.309012 O\n0.231213 0.075621 0.517673 O\n0.290375 0.584192 0.473000 O\n0.327107 0.305833 0.691768 O\n0.331394 0.803298 0.606279 O\n0.368749 0.042053 0.776165 O\n0.359744 0.567924 0.701046 O\n0.403918 0.415366 0.884984 O\n0.473154 0.749835 0.907850 O\n0.292799 0.149933 0.993363 O\n0.312916 0.325797 0.162986 O\n0.397519 0.085539 0.209610 O\n0.414666 0.574324 0.274068 O\n0.376484 0.834121 0.149661 O\n0.526542 0.066564 0.616784 O\n0.474572 0.337183 0.430975 O\n0.535016 0.653408 0.577403 O\n0.470217 0.909074 0.368262 O\n0.601813 0.159735 0.835215 O\n0.576388 0.415816 0.734599 O\n0.602151 0.908990 0.789725 O\n0.691774 0.672751 0.825328 O\n0.719073 0.837824 0.000287 O\n0.531723 0.240258 0.090437 O\n0.567003 0.587129 0.112452 O\n0.630143 0.421867 0.291317 O\n0.616812 0.938621 0.204536 O\n0.698287 0.206619 0.407783 O\n0.671812 0.677127 0.310228 O\n0.722017 0.433869 0.517728 O\n0.795659 0.937786 0.464171 O\n0.840541 0.196998 0.697351 O\n0.825212 0.714866 0.585955 O\n0.863517 0.456305 0.784826 O\n0.916731 0.069937 0.888540 O\n0.862458 0.937687 0.693677 O\n0.972936 0.750945 0.910680 O\n0.777796 0.332548 0.999264 O\n0.817448 0.169157 0.181910 O\n0.889469 0.411676 0.211634 O\n0.886577 0.661397 0.154443 O\n0.916964 0.922063 0.273855 O\n0.983407 0.170091 0.438291 O\n0.975377 0.579443 0.374295 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9869203594035456,
"density_atomic": 0.08260483979540602,
"volume": 1041.1012261872675,
"volume_molar": 7.290300150591073,
"formula_full": "Li6 Mn8 P16 O56",
"formula_reduced": "Li3Mn4(P2O7)4",
"formula_anonymous": "A3B4C8D28",
"energy": -658.71339993,
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"band_gap": 0.0099,
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"updated_at": "2021-11-28T01:34:59.829000Z",
"spacegroup": 1
},
{
"id": "mp-777776",
"created_at": "2022-09-04T14:40:41.679479Z",
"structure_string": "Li6 Mn8 P16 O56\n1.0\n9.653051 0.050687 0.050897\n0.179039 9.609262 0.018460\n-2.295705 0.002438 10.930314\nLi Mn P O\n6 8 16 56\ndirect\n0.152878 0.439619 0.531305 Li\n0.396126 0.958773 0.500830 Li\n0.580796 0.405243 0.021898 Li\n0.912487 0.904133 0.980873 Li\n0.821713 0.588824 0.450727 Li\n0.878775 0.283537 0.545403 Li\n0.196165 0.929256 0.672224 Mn\n0.279387 0.228510 0.840973 Mn\n0.222796 0.728231 0.160085 Mn\n0.304848 0.429881 0.327225 Mn\n0.698060 0.574323 0.678537 Mn\n0.773404 0.274340 0.839548 Mn\n0.720568 0.771878 0.160942 Mn\n0.804872 0.067966 0.329282 Mn\n0.020184 0.444877 0.756864 P\n0.115541 0.719220 0.875275 P\n0.074544 0.926280 0.247578 P\n0.130831 0.150388 0.426767 P\n0.376511 0.650619 0.581685 P\n0.426224 0.420694 0.753423 P\n0.520164 0.052909 0.745254 P\n0.383018 0.215591 0.123442 P\n0.608702 0.784852 0.883680 P\n0.473361 0.935844 0.243326 P\n0.570197 0.573019 0.240402 P\n0.625851 0.347533 0.417120 P\n0.873240 0.855799 0.571433 P\n0.927279 0.071365 0.756512 P\n0.886594 0.278072 0.119044 P\n0.980609 0.550528 0.251817 P\n0.010506 0.420790 0.621774 O\n0.035359 0.846204 0.577688 O\n0.080433 0.072403 0.732037 O\n0.102618 0.335069 0.843075 O\n0.101589 0.586843 0.784737 O\n0.202460 0.821691 0.811444 O\n0.208079 0.666390 0.997176 O\n0.023853 0.236782 0.091065 O\n0.138754 0.071256 0.300830 O\n0.078508 0.908189 0.112745 O\n0.135724 0.545155 0.223482 O\n0.189877 0.295445 0.412714 O\n0.177111 0.808375 0.309361 O\n0.215160 0.057865 0.529569 O\n0.294459 0.562315 0.477345 O\n0.317265 0.313642 0.688138 O\n0.319093 0.799503 0.594759 O\n0.366261 0.048906 0.779850 O\n0.360643 0.571141 0.705321 O\n0.418441 0.399658 0.887380 O\n0.469544 0.753800 0.909489 O\n0.287595 0.167211 0.001979 O\n0.296585 0.323092 0.187552 O\n0.398031 0.086217 0.215272 O\n0.417866 0.577601 0.265727 O\n0.386755 0.835014 0.151289 O\n0.512087 0.066158 0.611739 O\n0.468300 0.339524 0.420150 O\n0.534764 0.657670 0.578498 O\n0.480161 0.908675 0.374947 O\n0.605010 0.160515 0.830442 O\n0.576263 0.413434 0.727743 O\n0.601578 0.907866 0.785795 O\n0.685936 0.666588 0.822663 O\n0.722587 0.834068 0.998612 O\n0.524914 0.261358 0.111235 O\n0.586296 0.582188 0.108914 O\n0.640225 0.428212 0.294858 O\n0.624023 0.942803 0.206972 O\n0.694705 0.205060 0.406946 O\n0.670915 0.685129 0.308442 O\n0.713937 0.432659 0.522017 O\n0.794458 0.936776 0.460076 O\n0.840500 0.200560 0.695438 O\n0.817237 0.711180 0.586230 O\n0.865448 0.458724 0.786064 O\n0.908465 0.076203 0.887243 O\n0.851558 0.939368 0.690872 O\n0.971388 0.769666 0.882670 O\n0.771781 0.331278 0.003781 O\n0.810095 0.171750 0.187958 O\n0.900640 0.409714 0.210730 O\n0.897074 0.663706 0.168000 O\n0.923588 0.923872 0.273985 O\n0.975063 0.167498 0.436253 O\n0.985051 0.560988 0.386765 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.064024177878252,
"density_atomic": 0.08473718609404958,
"volume": 1014.9027123056557,
"volume_molar": 7.106845338616793,
"formula_full": "Li6 Mn8 P16 O56",
"formula_reduced": "Li3Mn4(P2O7)4",
"formula_anonymous": "A3B4C8D28",
"energy": -658.22294179,
"energy_per_atom": -7.6537551370930235,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -606.40694179,
"band_gap": 0.0310000000000001,
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"total_magnetization": 29.9985929,
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"updated_at": "2021-11-28T01:35:06.677000Z",
"spacegroup": 1
},
{
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