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{
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"results": [
{
"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,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -606.57849113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0038591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.495000Z",
"spacegroup": 1
},
{
"id": "mp-780233",
"created_at": "2022-09-04T14:39:48.059650Z",
"structure_string": "Li7 Ti14 O28\n1.0\n-7.866256 0.000000 0.000000\n3.928237 6.838891 0.000000\n-0.507050 -1.664522 -10.507058\nLi Ti O\n7 14 28\ndirect\n0.042563 0.182388 0.781304 Li\n0.319879 0.612243 0.777599 Li\n0.606869 0.053123 0.781203 Li\n0.745780 0.545313 0.737429 Li\n0.251932 0.249999 0.221152 Li\n0.589699 0.960071 0.263916 Li\n0.959807 0.805743 0.221001 Li\n0.227257 0.080522 0.504114 Ti\n0.055321 0.349578 0.496306 Ti\n0.351679 0.780117 0.496883 Ti\n0.644053 0.217563 0.503163 Ti\n0.930124 0.643697 0.495747 Ti\n0.501062 0.504066 0.495417 Ti\n0.786963 0.921481 0.504482 Ti\n0.146783 0.720212 0.995342 Ti\n0.417760 0.132251 0.996358 Ti\n0.700087 0.560094 0.006648 Ti\n0.288763 0.436729 0.007783 Ti\n0.585557 0.857270 0.994984 Ti\n0.861700 0.298345 0.017469 Ti\n0.990517 0.989756 0.991540 Ti\n0.229155 0.168575 0.899299 O\n0.093276 0.448427 0.898733 O\n0.381893 0.875545 0.888615 O\n0.662553 0.304932 0.903130 O\n0.933636 0.727108 0.899220 O\n0.516028 0.591334 0.894481 O\n0.808633 0.039363 0.892719 O\n0.172509 0.856974 0.592972 O\n0.461920 0.293847 0.601688 O\n0.742830 0.707361 0.603678 O\n0.031940 0.146356 0.601034 O\n0.316388 0.572089 0.597550 O\n0.600000 0.999968 0.601598 O\n0.883730 0.432769 0.604289 O\n0.117100 0.571732 0.402829 O\n0.405803 0.000126 0.399854 O\n0.685850 0.430099 0.403625 O\n0.971864 0.860923 0.400493 O\n0.253915 0.282495 0.400565 O\n0.544665 0.724581 0.400494 O\n0.821044 0.135821 0.399375 O\n0.187449 0.977241 0.103398 O\n0.471037 0.391886 0.104493 O\n0.057132 0.258221 0.101775 O\n0.346863 0.698540 0.094959 O\n0.624156 0.111359 0.098771 O\n0.916905 0.559975 0.103645 O\n0.770221 0.832309 0.105997 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.427492082042368,
"density_atomic": 0.08668844096320778,
"volume": 565.2426027686497,
"volume_molar": 6.946878606982805,
"formula_full": "Li7 Ti14 O28",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
"energy": -416.93886108,
"energy_per_atom": -8.508956348571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.70286108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8797771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.410000Z",
"spacegroup": 1
},
{
"id": "mp-764484",
"created_at": "2022-09-04T14:39:48.066147Z",
"structure_string": "Li3 Mn3 V3 P12 O42\n1.0\n8.173880 0.000000 0.000000\n-0.322384 9.727082 0.000000\n-0.092915 -0.858548 9.950549\nLi Mn V P O\n3 3 3 12 42\ndirect\n0.357726 0.277627 0.051109 Li\n0.863495 0.724139 0.947656 Li\n0.862850 0.058110 0.613046 Li\n0.007672 0.916252 0.350003 Mn\n0.993141 0.255624 0.023551 Mn\n0.006034 0.582458 0.682285 Mn\n0.504747 0.412735 0.314468 V\n0.495919 0.743348 0.975062 V\n0.494635 0.077632 0.640212 V\n0.780735 0.987609 0.103952 P\n0.288606 0.679506 0.234337 P\n0.682077 0.455303 0.027613 P\n0.176150 0.878802 0.641818 P\n0.782175 0.654447 0.436052 P\n0.679373 0.788518 0.695803 P\n0.175189 0.211940 0.306155 P\n0.286879 0.347851 0.565983 P\n0.678409 0.122482 0.362857 P\n0.177442 0.546793 0.975661 P\n0.781252 0.321408 0.770110 P\n0.289021 0.012083 0.898408 P\n0.686344 0.877466 0.011075 O\n0.932810 0.924880 0.160890 O\n0.439061 0.738456 0.161500 O\n0.151030 0.631833 0.118736 O\n0.203874 0.777181 0.331172 O\n0.827614 0.781407 0.361942 O\n0.038559 0.928432 0.554728 O\n0.847649 0.425830 0.080398 O\n0.347019 0.922958 0.594351 O\n0.537015 0.407223 0.111513 O\n0.670811 0.941839 0.664874 O\n0.341739 0.546721 0.295251 O\n0.680455 0.551889 0.342158 O\n0.149609 0.967024 0.785580 O\n0.653170 0.698996 0.554083 O\n0.821124 0.112648 0.026776 O\n0.931963 0.592864 0.496656 O\n0.172290 0.726510 0.663294 O\n0.038403 0.254528 0.215912 O\n0.344656 0.259089 0.254353 O\n0.844036 0.756754 0.754712 O\n0.535971 0.746632 0.783663 O\n0.662063 0.274233 0.331633 O\n0.440471 0.407983 0.499816 O\n0.333013 0.880091 0.962804 O\n0.152642 0.298915 0.449384 O\n0.652361 0.031943 0.220269 O\n0.200808 0.443532 0.664008 O\n0.174188 0.059561 0.330635 O\n0.826216 0.447739 0.696329 O\n0.038897 0.592468 0.887833 O\n0.843582 0.090924 0.419964 O\n0.348281 0.588695 0.926872 O\n0.535212 0.077147 0.449054 O\n0.670704 0.608551 0.997903 O\n0.337591 0.215043 0.630016 O\n0.689426 0.211207 0.675550 O\n0.649107 0.364525 0.884275 O\n0.931091 0.258929 0.832573 O\n0.176539 0.392630 0.996965 O\n0.441216 0.072416 0.829966 O\n0.212705 0.117381 0.995585 O\n",
"nsites": 63,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9009314596140654,
"density_atomic": 0.07963109215224526,
"volume": 791.148260023251,
"volume_molar": 7.562549498236666,
"formula_full": "Li3 Mn3 V3 P12 O42",
"formula_reduced": "LiMnV(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy": -496.52171483,
"energy_per_atom": -7.881297060793651,
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"energy_uncorrected": -457.56371483,
"band_gap": 1.3442000000000005,
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"total_magnetization": 15.6412935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.843000Z",
"spacegroup": 1
},
{
"id": "mp-1247628",
"created_at": "2022-09-04T14:39:48.225308Z",
"structure_string": "Ca32 Ti4 Mn28 O92\n1.0\n10.893259 -0.006661 -0.023595\n-0.009164 15.319420 -0.004668\n-0.023141 -0.003360 10.752811\nCa Ti Mn O\n32 4 28 92\ndirect\n0.019292 0.118138 0.506627 Ca\n0.012472 0.118706 0.994458 Ca\n0.020227 0.625658 0.497548 Ca\n0.021732 0.625734 0.994204 Ca\n0.526397 0.129296 0.504486 Ca\n0.535537 0.122348 0.973348 Ca\n0.525827 0.625080 0.498597 Ca\n0.522100 0.624678 0.993945 Ca\n0.492875 0.384554 0.996102 Ca\n0.478736 0.384684 0.508575 Ca\n0.487999 0.867387 0.995297 Ca\n0.481385 0.864774 0.514872 Ca\n0.967519 0.384640 0.999083 Ca\n0.975769 0.380170 0.507318 Ca\n0.974099 0.871851 0.004017 Ca\n0.972522 0.872740 0.508019 Ca\n0.230317 0.389976 0.253944 Ca\n0.225020 0.378958 0.729682 Ca\n0.228043 0.870357 0.245617 Ca\n0.228041 0.870389 0.744434 Ca\n0.730596 0.384592 0.244956 Ca\n0.727766 0.380271 0.748096 Ca\n0.732153 0.866444 0.246043 Ca\n0.727603 0.871589 0.745803 Ca\n0.241448 0.119704 0.264126 Ca\n0.270921 0.117964 0.732068 Ca\n0.273902 0.626586 0.256345 Ca\n0.271158 0.624270 0.755749 Ca\n0.774227 0.117576 0.252130 Ca\n0.775188 0.123658 0.756620 Ca\n0.771718 0.625014 0.255885 Ca\n0.772074 0.625906 0.754086 Ca\n0.996944 0.993585 0.250874 Ti\n0.251442 0.995486 0.995493 Ti\n0.257728 0.245230 0.963630 Ti\n0.985984 0.250946 0.269199 Ti\n0.995306 0.997604 0.751820 Mn\n-0.000021 0.502577 0.249429 Mn\n0.000993 0.500774 0.750125 Mn\n0.507427 0.986962 0.242609 Mn\n0.501745 0.998853 0.747447 Mn\n0.499428 0.503831 0.251612 Mn\n0.500064 0.501464 0.750342 Mn\n0.242150 0.993361 0.504973 Mn\n0.249766 0.501734 0.003940 Mn\n0.250635 0.503194 0.500400 Mn\n0.749596 0.998196 0.996580 Mn\n0.746350 0.000655 0.501966 Mn\n0.748912 0.503150 0.000824 Mn\n0.751035 0.500436 0.500321 Mn\n0.251811 0.250872 0.492846 Mn\n0.250534 0.747882 0.002092 Mn\n0.250353 0.748981 0.500045 Mn\n0.750846 0.250260 0.998721 Mn\n0.749025 0.250194 0.505946 Mn\n0.750177 0.748882 0.000529 Mn\n0.750709 0.749150 0.499991 Mn\n0.995160 0.251185 0.744024 Mn\n0.000712 0.747377 0.250401 Mn\n0.000799 0.749667 0.750608 Mn\n0.518893 0.256276 0.260568 Mn\n0.505210 0.250570 0.742731 Mn\n0.499524 0.747883 0.251805 Mn\n0.500033 0.747672 0.751223 Mn\n0.098368 0.266403 0.598864 O\n0.106004 0.771945 0.104912 O\n0.106154 0.772572 0.603195 O\n0.589370 0.259446 0.100545 O\n0.598041 0.269539 0.593606 O\n0.607304 0.772147 0.108870 O\n0.607879 0.765708 0.606616 O\n0.399543 0.210432 0.362255 O\n0.405614 0.231088 0.890677 O\n0.396231 0.726337 0.397515 O\n0.396887 0.730682 0.898039 O\n0.897438 0.229688 0.406826 O\n0.900648 0.234205 0.903824 O\n0.896836 0.729926 0.395591 O\n0.895791 0.730068 0.896196 O\n0.150348 0.242811 0.337984 O\n0.145330 0.229908 0.843169 O\n0.147002 0.730440 0.351625 O\n0.147650 0.730858 0.853292 O\n0.656088 0.222479 0.352716 O\n0.650104 0.228895 0.849682 O\n0.646504 0.728580 0.353905 O\n0.644805 0.729032 0.855956 O\n0.353252 0.266121 0.641581 O\n0.357716 0.773072 0.145977 O\n0.354918 0.769320 0.646066 O\n0.858931 0.271428 0.145465 O\n0.848226 0.273779 0.651150 O\n0.857326 0.769896 0.144920 O\n0.856672 0.771320 0.645269 O\n0.356760 0.484607 0.148388 O\n0.355407 0.481795 0.645268 O\n0.353549 0.998000 0.163869 O\n0.353904 0.980528 0.644821 O\n0.855738 0.481187 0.145272 O\n0.856623 0.478791 0.645410 O\n0.851858 0.981402 0.145706 O\n0.850688 0.977378 0.648462 O\n0.140308 0.010219 0.359287 O\n0.145448 0.025184 0.861353 O\n0.147611 0.520380 0.351313 O\n0.148984 0.514520 0.853365 O\n0.625626 0.029809 0.355422 O\n0.648181 0.020261 0.849069 O\n0.646746 0.519315 0.353688 O\n0.645345 0.521004 0.855277 O\n0.394449 0.021595 0.897233 O\n0.396181 0.522977 0.397574 O\n0.396817 0.513503 0.898826 O\n0.887694 0.020865 0.393922 O\n0.894991 0.016737 0.898873 O\n0.898192 0.518404 0.396162 O\n0.896328 0.517892 0.897161 O\n0.102361 0.481544 0.104735 O\n0.106372 0.479967 0.603432 O\n0.107072 0.984668 0.107851 O\n0.096746 0.981125 0.612073 O\n0.606890 0.481762 0.108316 O\n0.607466 0.482139 0.605167 O\n0.601791 0.986254 0.093724 O\n0.597448 0.980924 0.597817 O\n0.010837 0.376279 0.278466 O\n0.012771 0.374962 0.787072 O\n0.004822 0.872565 0.285521 O\n0.012476 0.874720 0.792184 O\n0.498530 0.377758 0.284984 O\n0.509379 0.374999 0.781712 O\n0.507800 0.871826 0.299462 O\n0.509227 0.874336 0.783642 O\n0.490831 0.124396 0.714344 O\n0.490964 0.627318 0.208961 O\n0.488614 0.624624 0.714126 O\n0.999288 0.130219 0.215716 O\n0.986477 0.125183 0.714655 O\n0.988694 0.625375 0.209011 O\n0.991171 0.624982 0.713101 O\n0.233235 0.150955 0.062150 O\n0.248449 0.120218 0.515949 O\n0.239578 0.627551 0.039162 O\n0.236669 0.626142 0.540416 O\n0.744680 0.124829 0.037473 O\n0.740875 0.125733 0.543902 O\n0.740369 0.625881 0.039734 O\n0.744985 0.624524 0.537887 O\n0.264917 0.376632 0.464399 O\n0.255164 0.358535 0.012979 O\n0.268469 0.874563 0.458117 O\n0.263076 0.878823 0.967856 O\n0.758446 0.373984 0.459823 O\n0.748855 0.375390 0.966043 O\n0.755413 0.875592 0.460782 O\n0.755666 0.874507 0.961945 O\n",
"nsites": 156,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Ti",
"density": 4.149651448493413,
"density_atomic": 0.08693700175587253,
"volume": 1794.4028071966757,
"volume_molar": 6.927016849408667,
"formula_full": "Ca32 Ti4 Mn28 O92",
"formula_reduced": "Ca8TiMn7O23",
"formula_anonymous": "AB7C8D23",
"energy": -1219.15139946,
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"updated_at": "2021-11-28T01:34:25.900000Z",
"spacegroup": 1
},
{
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"structure_string": "Nb1 Fe7 P12 O48\n1.0\n8.806421 0.000000 0.000000\n-0.026907 8.834866 0.000000\n-0.000033 -0.027341 12.308838\nNb Fe P O\n1 7 12 48\ndirect\n0.747091 0.465130 0.618133 Nb\n0.250626 0.964111 0.619184 Fe\n0.252530 0.532868 0.382447 Fe\n0.248445 0.034900 0.118790 Fe\n0.249561 0.464615 0.881689 Fe\n0.750983 0.537602 0.119060 Fe\n0.752104 0.963320 0.880811 Fe\n0.749996 0.038413 0.380657 Fe\n0.034432 0.247855 0.498540 P\n0.469606 0.749677 0.000449 P\n0.530949 0.250465 0.000781 P\n0.968697 0.751170 0.498670 P\n0.108123 0.393798 0.144158 P\n0.110309 0.106383 0.856249 P\n0.385044 0.605320 0.645853 P\n0.388749 0.894217 0.355391 P\n0.610187 0.102704 0.644028 P\n0.610285 0.393940 0.352627 P\n0.892004 0.609409 0.858246 P\n0.889514 0.894649 0.144774 P\n0.065299 0.654521 0.422233 O\n0.065818 0.840187 0.580603 O\n0.063710 0.911076 0.143702 O\n0.064570 0.590550 0.861500 O\n0.128276 0.142572 0.570347 O\n0.139760 0.351361 0.433977 O\n0.178883 0.446442 0.036316 O\n0.176880 0.055303 0.965822 O\n0.147754 0.226439 0.163724 O\n0.147697 0.274574 0.837229 O\n0.173427 0.495124 0.233814 O\n0.182720 0.005487 0.769006 O\n0.319994 0.996911 0.268553 O\n0.311528 0.504598 0.731159 O\n0.355378 0.774343 0.664461 O\n0.350476 0.726639 0.334742 O\n0.329138 0.560075 0.532313 O\n0.323137 0.939890 0.466697 O\n0.365338 0.852045 0.068189 O\n0.371060 0.644761 0.930212 O\n0.436231 0.092155 0.640258 O\n0.437598 0.413071 0.347250 O\n0.433136 0.156264 0.079261 O\n0.435564 0.342183 0.919499 O\n0.565434 0.658310 0.081732 O\n0.567447 0.843181 0.921611 O\n0.561040 0.581040 0.650910 O\n0.562329 0.913482 0.357915 O\n0.628697 0.355002 0.071826 O\n0.635304 0.147932 0.933159 O\n0.676842 0.058973 0.533314 O\n0.667028 0.437171 0.468707 O\n0.649638 0.227317 0.331266 O\n0.652081 0.272798 0.665874 O\n0.689262 0.498671 0.271458 O\n0.676771 0.002741 0.732621 O\n0.818794 0.996264 0.231833 O\n0.827081 0.507899 0.764189 O\n0.852989 0.726717 0.165115 O\n0.853523 0.774592 0.833439 O\n0.819006 0.556125 0.964014 O\n0.824961 0.942740 0.034027 O\n0.860373 0.646948 0.564922 O\n0.869231 0.857518 0.431669 O\n0.936557 0.089397 0.857516 O\n0.934250 0.408624 0.138539 O\n0.937717 0.155855 0.418239 O\n0.931036 0.343584 0.574706 O\n",
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"elements": [
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],
"chemical_system": "Fe-Nb-O-P",
"density": 2.8150036687962015,
"density_atomic": 0.07100557463947407,
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"volume_molar": 8.481222482286787,
"formula_full": "Nb1 Fe7 P12 O48",
"formula_reduced": "NbFe7(PO4)12",
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"energy": -522.01426946,
"energy_per_atom": -7.676680433235295,
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"formation_energy": null,
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"energy_uncorrected": -473.24626946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.2067113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.286000Z",
"spacegroup": 1
},
{
"id": "mp-706258",
"created_at": "2022-09-04T14:39:48.457464Z",
"structure_string": "Sr8 La12 Ti8 Cr12 O60\n1.0\n5.556692 0.000000 0.000000\n-0.004572 5.597727 0.000000\n-0.025920 -0.025009 39.276080\nSr La Ti Cr O\n8 12 8 12 60\ndirect\n0.009295 0.996240 0.049827 Sr\n0.008853 0.997551 0.250434 Sr\n0.009843 0.998810 0.450517 Sr\n0.010240 0.994339 0.650330 Sr\n0.011140 0.993703 0.850103 Sr\n0.491089 0.498356 0.350326 Sr\n0.491244 0.497727 0.150436 Sr\n0.492006 0.499174 0.550395 Sr\n0.489709 0.499935 0.748305 La\n0.488642 0.500017 0.948332 La\n0.510493 0.504592 0.050775 La\n0.510572 0.505482 0.250871 La\n0.510662 0.506507 0.650436 La\n0.508973 0.502146 0.450680 La\n0.511724 0.505746 0.850574 La\n0.989519 0.006292 0.150653 La\n0.989009 0.007546 0.350871 La\n0.985070 0.004398 0.550630 La\n0.986617 0.006119 0.748261 La\n0.985530 0.006246 0.947980 La\n0.999855 0.501759 0.000322 Ti\n0.999812 0.501786 0.399993 Ti\n0.000259 0.500205 0.500526 Ti\n0.000759 0.497178 0.601247 Ti\n0.000363 0.500865 0.800620 Ti\n0.499824 0.000107 0.100353 Ti\n0.499614 0.999815 0.300688 Ti\n0.000255 0.499974 0.200637 Ti\n0.000355 0.500067 0.099999 Cr\n0.999979 0.500528 0.699993 Cr\n0.999923 0.500007 0.899733 Cr\n0.499103 0.000143 0.999678 Cr\n0.499726 0.999977 0.200254 Cr\n0.499369 0.999793 0.500053 Cr\n0.499511 0.000273 0.599946 Cr\n0.498895 0.000148 0.899603 Cr\n0.499759 0.999959 0.400283 Cr\n0.498926 0.000184 0.699705 Cr\n0.499632 0.000146 0.800083 Cr\n0.000275 0.500140 0.300108 Cr\n0.995534 0.442539 0.049008 O\n0.995874 0.444402 0.249332 O\n0.996511 0.447181 0.449697 O\n0.995959 0.442251 0.649665 O\n0.995212 0.440193 0.849144 O\n0.231913 0.236823 0.192927 O\n0.236837 0.231826 0.106512 O\n0.236114 0.231382 0.306819 O\n0.231615 0.238170 0.393053 O\n0.230520 0.237729 0.592954 O\n0.231282 0.239184 0.506523 O\n0.236167 0.237623 0.709066 O\n0.235632 0.241961 0.791812 O\n0.235199 0.236430 0.908992 O\n0.235172 0.240981 0.991684 O\n0.268244 0.736817 0.293022 O\n0.265652 0.728214 0.006443 O\n0.267682 0.737382 0.092632 O\n0.263605 0.731091 0.206834 O\n0.262844 0.731741 0.406551 O\n0.262113 0.730390 0.493121 O\n0.270939 0.727491 0.693499 O\n0.262143 0.730566 0.606754 O\n0.264770 0.729330 0.806653 O\n0.272249 0.726248 0.893333 O\n0.504534 0.946157 0.349430 O\n0.504224 0.944798 0.149229 O\n0.508521 0.939641 0.550032 O\n0.503997 0.926056 0.750144 O\n0.504744 0.925909 0.950001 O\n0.497489 0.072505 0.050138 O\n0.497321 0.072502 0.250430 O\n0.497099 0.081095 0.650079 O\n0.496931 0.078357 0.449993 O\n0.496942 0.081054 0.849814 O\n0.740820 0.253765 0.106205 O\n0.746628 0.257908 0.193238 O\n0.741102 0.253510 0.306444 O\n0.746628 0.259476 0.393377 O\n0.747714 0.259184 0.593280 O\n0.746516 0.260686 0.506095 O\n0.740790 0.264071 0.791938 O\n0.736981 0.263012 0.708837 O\n0.740226 0.263466 0.991856 O\n0.735171 0.264559 0.908718 O\n0.758329 0.751498 0.006153 O\n0.754042 0.758512 0.092976 O\n0.758887 0.752801 0.206412 O\n0.753540 0.758171 0.293333 O\n0.759945 0.751698 0.493448 O\n0.757807 0.756458 0.693799 O\n0.760014 0.753919 0.406184 O\n0.760530 0.752203 0.606388 O\n0.759562 0.752390 0.806386 O\n0.759414 0.758112 0.893516 O\n0.002910 0.572449 0.150300 O\n0.002496 0.571808 0.350318 O\n0.002908 0.568959 0.549819 O\n0.004405 0.570490 0.750630 O\n0.004632 0.570897 0.950471 O\n",
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"elements": [
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"density": 5.891825123640121,
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"formula_full": "Sr8 La12 Ti8 Cr12 O60",
"formula_reduced": "Sr2La3Ti2Cr3O15",
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"updated_at": "2021-11-28T01:34:28.121000Z",
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}
]
}