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{
"id": "mp-1208787",
"created_at": "2022-09-04T14:44:06.659883Z",
"structure_string": "Ti6 C140 Cl26\n1.0\n10.365653 -0.004700 0.163273\n2.536484 13.752245 0.925974\n-0.011381 0.016691 16.904443\nTi C Cl\n6 140 26\ndirect\n0.071832 0.770939 0.131318 Ti\n0.928168 0.229061 0.868682 Ti\n0.073657 0.784572 0.363122 Ti\n0.926343 0.215428 0.636878 Ti\n0.188724 0.343141 0.736919 Ti\n0.811276 0.656859 0.263082 Ti\n0.264366 0.053596 0.139269 C\n0.735634 0.946404 0.860731 C\n0.401232 0.217835 0.494611 C\n0.598768 0.782165 0.505389 C\n0.148623 0.217657 0.095519 C\n0.851377 0.782343 0.904481 C\n0.470166 0.187281 0.009859 C\n0.529834 0.812719 0.990141 C\n0.175486 0.436931 0.197579 C\n0.824514 0.563069 0.802421 C\n0.779682 0.197225 0.206292 C\n0.220318 0.802775 0.793708 C\n0.588574 0.285508 0.465071 C\n0.411426 0.714492 0.534929 C\n0.741887 0.303619 0.203549 C\n0.258113 0.696381 0.796451 C\n0.522872 0.464436 0.221819 C\n0.477128 0.535564 0.778181 C\n0.695845 0.048924 0.375861 C\n0.304155 0.951076 0.624139 C\n0.563133 0.431608 0.145739 C\n0.436867 0.568392 0.854261 C\n0.115193 0.157320 0.225691 C\n0.884807 0.842680 0.774309 C\n0.488634 0.015389 0.112036 C\n0.511366 0.984611 0.887964 C\n0.591580 0.141847 0.041522 C\n0.408420 0.858153 0.958478 C\n0.739207 0.295514 0.351668 C\n0.260793 0.704486 0.648332 C\n0.717199 0.135108 0.413457 C\n0.282801 0.864892 0.586543 C\n0.099625 0.298990 0.142918 C\n0.900375 0.701010 0.857082 C\n0.372350 0.389047 0.442002 C\n0.627650 0.610953 0.557998 C\n0.243464 0.380778 0.412324 C\n0.756536 0.619222 0.587677 C\n0.096744 0.314589 0.289817 C\n0.903256 0.685411 0.710183 C\n0.624100 0.179512 0.467461 C\n0.375900 0.820488 0.532539 C\n0.363008 0.061840 0.078902 C\n0.636992 0.938160 0.921098 C\n0.532135 0.021607 0.807864 C\n0.467865 0.978393 0.192135 C\n0.245297 0.394741 0.069775 C\n0.754703 0.605259 0.930225 C\n0.126479 0.258910 0.362838 C\n0.873521 0.741090 0.637162 C\n0.585420 0.008524 0.393808 C\n0.414580 0.991476 0.606192 C\n0.293535 0.316504 0.024128 C\n0.706465 0.683496 0.975872 C\n0.679936 0.199427 0.072136 C\n0.320064 0.800573 0.927864 C\n0.484640 0.022626 0.668300 C\n0.515360 0.977374 0.331700 C\n0.790720 0.144755 0.281680 C\n0.209280 0.855245 0.718320 C\n0.196392 0.293563 0.425260 C\n0.803608 0.706437 0.574740 C\n0.147232 0.385596 0.130387 C\n0.852768 0.614404 0.869613 C\n0.623795 0.998539 0.651471 C\n0.376205 0.001461 0.348529 C\n0.358784 0.047667 0.421212 C\n0.641216 0.952333 0.578788 C\n0.163246 0.154767 0.365385 C\n0.836754 0.845233 0.634615 C\n0.291623 0.477580 0.179140 C\n0.708377 0.522420 0.820860 C\n0.610147 0.429546 0.285371 C\n0.389853 0.570454 0.714629 C\n0.222853 0.434995 0.337224 C\n0.777147 0.565005 0.662776 C\n0.509051 0.140167 0.486316 C\n0.490949 0.859833 0.513684 C\n0.159195 0.130159 0.147422 C\n0.840805 0.869841 0.852578 C\n0.644780 0.342137 0.408542 C\n0.355220 0.657863 0.591458 C\n0.644378 0.300423 0.069544 C\n0.355622 0.699577 0.930456 C\n0.744370 0.147238 0.141658 C\n0.255630 0.852762 0.858342 C\n0.469314 0.428523 0.084457 C\n0.530686 0.571477 0.915543 C\n0.681425 0.015761 0.232824 C\n0.318575 0.984239 0.767176 C\n0.741828 0.055353 0.294783 C\n0.258172 0.944647 0.705217 C\n0.436667 0.024893 0.748180 C\n0.563333 0.975107 0.251820 C\n0.147296 0.405561 0.276366 C\n0.852704 0.594439 0.723634 C\n0.564870 0.424961 0.366504 C\n0.435130 0.575039 0.633496 C\n0.170953 0.103545 0.295127 C\n0.829047 0.896455 0.704873 C\n0.774954 0.194141 0.354658 C\n0.225046 0.805859 0.645342 C\n0.519323 0.347716 0.036268 C\n0.480677 0.652284 0.963732 C\n0.449363 0.309518 0.482203 C\n0.550637 0.690482 0.517797 C\n0.334946 0.451331 0.100995 C\n0.665054 0.548669 0.899005 C\n0.338673 0.476547 0.318679 C\n0.661327 0.523453 0.681321 C\n0.078586 0.261640 0.223036 C\n0.921414 0.738360 0.776964 C\n0.695775 0.057499 0.154817 C\n0.304225 0.942501 0.845183 C\n0.671762 0.352301 0.136724 C\n0.328238 0.647699 0.863276 C\n0.381801 0.488568 0.239125 C\n0.618199 0.511432 0.760875 C\n0.430616 0.448326 0.383048 C\n0.569384 0.551674 0.616952 C\n0.491586 0.041080 0.462006 C\n0.508414 0.958920 0.537994 C\n0.275736 0.211060 0.467144 C\n0.724264 0.788940 0.532856 C\n0.353489 0.146470 0.028801 C\n0.646511 0.853530 0.971199 C\n0.244476 0.225975 0.037476 C\n0.755524 0.774025 0.962524 C\n0.718410 0.349791 0.276547 C\n0.281590 0.650209 0.723453 C\n0.255564 0.124648 0.429488 C\n0.744436 0.875352 0.570512 C\n0.600938 0.054566 0.093685 C\n0.399062 0.945434 0.906315 C\n0.433195 0.292549 0.006934 C\n0.566805 0.707451 0.993066 C\n0.671373 0.997636 0.790962 C\n0.328627 0.002364 0.209038 C\n0.281727 0.023821 0.286141 C\n0.718273 0.976179 0.713859 C\n0.036826 0.915371 0.432829 Cl\n0.963174 0.084629 0.567171 Cl\n0.154447 0.448573 0.630622 Cl\n0.845553 0.551427 0.369378 Cl\n0.160492 0.454652 0.826804 Cl\n0.839508 0.545348 0.173196 Cl\n0.290636 0.764944 0.347356 Cl\n0.709364 0.235056 0.652644 Cl\n0.045339 0.889907 0.237227 Cl\n0.954661 0.110093 0.762773 Cl\n0.064914 0.658050 0.258933 Cl\n0.935086 0.341950 0.741067 Cl\n0.404547 0.302174 0.735225 Cl\n0.595453 0.697826 0.264775 Cl\n0.036129 0.891850 0.039689 Cl\n0.963871 0.108150 0.960311 Cl\n0.081025 0.666312 0.459181 Cl\n0.918975 0.333688 0.540819 Cl\n0.171728 0.216987 0.845459 Cl\n0.828272 0.783013 0.154541 Cl\n0.069268 0.646757 0.055651 Cl\n0.930732 0.353243 0.944349 Cl\n0.289178 0.750186 0.142798 Cl\n0.710822 0.249814 0.857202 Cl\n0.167794 0.208586 0.650614 Cl\n0.832206 0.791414 0.349386 Cl\n",
"nsites": 172,
"nelements": 3,
"elements": [
"Ti",
"C",
"Cl"
],
"chemical_system": "C-Cl-Ti",
"density": 1.9917477085735578,
"density_atomic": 0.0713746525985041,
"volume": 2409.8190847601386,
"volume_molar": 8.437366124744143,
"formula_full": "Ti6 C140 Cl26",
"formula_reduced": "Ti3C70Cl13",
"formula_anonymous": "A3B13C70",
"energy": -1401.7396379399995,
"energy_per_atom": -8.149649057790695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1385.77563794,
"band_gap": 0.6283999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.503000Z",
"spacegroup": 2
},
{
"id": "mp-704853",
"created_at": "2022-09-04T14:44:18.190063Z",
"structure_string": "Cr4 Fe16 P8 C72 O72\n1.0\n9.387316 0.182602 0.000000\n-4.135107 13.861266 0.000000\n0.000000 0.000000 23.009137\nCr Fe P C O\n4 16 8 72 72\ndirect\n0.686189 0.765664 0.524366 Cr\n0.813811 0.734336 0.024366 Cr\n0.186189 0.265664 0.975634 Cr\n0.313811 0.234336 0.475634 Cr\n0.631187 0.886700 0.358571 Fe\n0.856772 0.299166 0.102971 Fe\n0.459062 0.299273 0.657277 Fe\n0.040938 0.200727 0.157277 Fe\n0.959062 0.799273 0.842723 Fe\n0.540938 0.700727 0.342723 Fe\n0.145935 0.651108 0.718066 Fe\n0.131187 0.386700 0.141429 Fe\n0.868813 0.613300 0.858571 Fe\n0.368813 0.113300 0.641429 Fe\n0.643228 0.200834 0.602971 Fe\n0.354065 0.848892 0.218066 Fe\n0.356772 0.799166 0.397029 Fe\n0.854065 0.348892 0.281934 Fe\n0.143228 0.700834 0.897029 Fe\n0.645935 0.151108 0.781934 Fe\n0.951034 0.324746 0.197599 P\n0.048966 0.675254 0.802401 P\n0.066289 0.273938 0.070709 P\n0.548966 0.175254 0.697599 P\n0.566289 0.773938 0.429291 P\n0.451034 0.824746 0.302401 P\n0.933711 0.726062 0.929291 P\n0.433711 0.226062 0.570709 P\n0.183106 0.761515 0.238737 C\n0.815433 0.864479 0.994420 C\n0.785278 0.630783 0.946270 C\n0.769693 0.777049 0.100279 C\n0.897255 0.794528 0.502393 C\n0.226518 0.856031 0.366126 C\n0.396945 0.995890 0.644417 C\n0.448593 0.585443 0.371646 C\n0.322433 0.444223 0.065684 C\n0.214722 0.369217 0.053730 C\n0.250368 0.566299 0.706153 C\n0.486103 0.339518 0.731673 C\n0.281955 0.809875 0.915661 C\n0.896945 0.495890 0.855583 C\n0.781955 0.309875 0.584339 C\n0.230307 0.222950 0.899721 C\n0.714722 0.869217 0.446270 C\n0.750368 0.066299 0.793847 C\n0.684567 0.635521 0.494420 C\n0.249632 0.933701 0.206153 C\n0.816894 0.238485 0.761263 C\n0.720658 0.597024 0.807093 C\n0.730307 0.722951 0.600279 C\n0.220658 0.097024 0.692907 C\n0.603055 0.004110 0.355583 C\n0.718045 0.190125 0.084339 C\n0.013897 0.160482 0.231673 C\n0.476679 0.709262 0.545589 C\n0.397255 0.294528 0.997607 C\n0.677567 0.555777 0.934316 C\n0.230096 0.198352 0.151962 C\n0.976679 0.209262 0.954411 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C\n0.524082 0.942319 0.205620 C\n0.102745 0.205472 0.497607 C\n0.279342 0.402976 0.192907 C\n0.184567 0.135521 0.005580 C\n0.523321 0.290738 0.454411 C\n0.024082 0.442319 0.294380 C\n0.749632 0.433701 0.293847 C\n0.926346 0.424043 0.847795 O\n0.243087 0.302125 0.354546 O\n0.868880 0.496710 0.698465 O\n0.361753 0.606262 0.851678 O\n0.307721 0.118648 0.446924 O\n0.484004 0.695116 0.985946 O\n0.627108 0.121810 0.071652 O\n0.573145 0.488478 0.929244 O\n0.857872 0.167804 0.941928 O\n0.686257 0.559755 0.479290 O\n0.071739 0.709081 0.251987 O\n0.860809 0.908680 0.268585 O\n0.926855 0.011522 0.429244 O\n0.426346 0.924043 0.652205 O\n0.426855 0.511522 0.070756 O\n0.320559 0.512900 0.696641 O\n0.984004 0.195116 0.514054 O\n0.368880 0.996710 0.801535 O\n0.139191 0.091320 0.731415 O\n0.179441 0.987100 0.196641 O\n0.138247 0.893738 0.351678 O\n0.389727 0.512429 0.392430 O\n0.131120 0.503290 0.301535 O\n0.861753 0.106262 0.648322 O\n0.186257 0.059755 0.020710 O\n0.631120 0.003290 0.198465 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O\n0.005111 0.129943 0.278306 O\n0.889642 0.239258 0.386748 O\n0.148983 0.304694 0.645085 O\n0.129681 0.598052 0.008602 O\n0.807721 0.618648 0.053076 O\n0.610358 0.260742 0.886748 O\n0.073654 0.575957 0.152205 O\n0.389642 0.739258 0.113252 O\n0.505111 0.629943 0.221694 O\n0.638247 0.393738 0.148322 O\n0.015996 0.804884 0.485946 O\n0.642128 0.332196 0.441928 O\n0.820559 0.012900 0.803359 O\n",
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"nelements": 5,
"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Fe-O-P",
"density": 1.8561302265137558,
"density_atomic": 0.05711772243588443,
"volume": 3011.324553304323,
"volume_molar": 10.543383915141138,
"formula_full": "Cr4 Fe16 P8 C72 O72",
"formula_reduced": "CrFe4P2(CO)18",
"formula_anonymous": "AB2C4D18E18",
"energy": -1320.471004,
"energy_per_atom": -7.677157,
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"formation_energy": null,
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"band_gap": 0.6632,
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"total_magnetization": 7.9762675,
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"updated_at": "2021-11-28T01:36:38.496000Z",
"spacegroup": 14
},
{
"id": "mp-686109",
"created_at": "2022-09-04T14:39:42.178936Z",
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Cu\n0.500135 0.750033 0.541369 Cu\n0.249693 0.748126 0.416634 Cu\n0.499982 0.250003 0.624997 Cu\n0.750030 0.500082 0.708336 Cu\n0.000066 0.219039 0.869853 Cu\n0.781035 0.781073 0.666660 Cu\n0.999982 0.781037 0.630175 Cu\n0.219009 0.218142 0.332989 Cu\n0.218790 0.999810 0.203135 Cu\n0.999013 0.778897 0.130127 Cu\n0.750048 0.249898 0.583302 Cu\n0.500297 0.750021 0.374732 Cu\n0.749763 0.499773 0.541618 Cu\n0.249682 0.748089 0.249957 Cu\n0.498439 0.249945 0.458374 Cu\n0.781036 0.000039 0.630159 Cu\n-0.000028 0.218934 0.703162 Cu\n0.779722 0.781782 0.500133 Cu\n0.218895 0.218047 0.166291 Cu\n0.219151 0.000253 0.036550 Cu\n0.500166 0.749961 0.208042 Cu\n0.751579 0.251775 0.416914 Cu\n0.498420 0.250084 0.291704 Cu\n0.249685 0.748047 0.083339 Cu\n0.749962 0.499912 0.375002 Cu\n0.780952 0.999848 0.463487 Cu\n0.779770 0.781804 0.333473 Cu\n0.781054 0.999980 0.296846 Cu\n0.000058 0.218949 0.536464 Cu\n0.219137 0.219050 0.000003 Cu\n0.500066 0.749946 0.041702 Cu\n0.751560 0.251847 0.250259 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"density": 4.870204794395506,
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"updated_at": "2021-11-28T01:34:34.657000Z",
"spacegroup": 1
},
{
"id": "mp-1212343",
"created_at": "2022-09-04T14:45:30.809591Z",
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"updated_at": "2021-11-28T01:37:03.137000Z",
"spacegroup": 144
},
{
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"updated_at": "2021-11-28T01:34:28.622000Z",
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},
{
"id": "mp-1196506",
"created_at": "2022-09-04T14:43:03.916342Z",
"structure_string": "Zr10 Si12 H72 C24 Br40 O12\n1.0\n-10.173764 0.000000 1.301801\n-0.076300 0.000000 -14.186231\n0.000000 -23.750825 0.000000\nZr Si H C Br O\n10 12 72 24 40 12\ndirect\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.838877 0.099855 0.810321 Zr\n0.161123 0.400145 0.310321 Zr\n0.161123 0.900145 0.189679 Zr\n0.838877 0.599855 0.689679 Zr\n0.091190 0.950414 0.866664 Zr\n0.908810 0.549586 0.366664 Zr\n0.908810 0.049586 0.133336 Zr\n0.091190 0.450414 0.633336 Zr\n0.648130 0.156619 0.418362 Si\n0.351870 0.343381 0.918362 Si\n0.351870 0.843381 0.581638 Si\n0.648130 0.656619 0.081638 Si\n0.486253 0.227817 0.525724 Si\n0.513747 0.272183 0.025724 Si\n0.513747 0.772183 0.474276 Si\n0.486253 0.727817 0.974276 Si\n0.336317 0.065809 0.610924 Si\n0.663683 0.434191 0.110924 Si\n0.663683 0.934191 0.389076 Si\n0.336317 0.565809 0.889076 Si\n0.569639 0.281219 0.360878 H\n0.430361 0.218781 0.860878 H\n0.430361 0.718781 0.639122 H\n0.569639 0.781219 0.139122 H\n0.619118 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],
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"volume_molar": 12.151451276390969,
"formula_full": "Zr10 Si12 H72 C24 Br40 O12",
"formula_reduced": "Zr5Si6H36C12(Br10O3)2",
"formula_anonymous": "A5B6C6D12E20F36",
"energy": -915.36030337,
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"updated_at": "2021-11-28T01:36:15.549000Z",
"spacegroup": 14
},
{
"id": "mp-1196830",
"created_at": "2022-09-04T14:41:49.416639Z",
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{
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{
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Ni\n0.524596 0.262298 0.344789 Ni\n0.737702 0.475404 0.655211 Ni\n0.737702 0.262298 0.655211 Ni\n0.524596 0.262298 0.655211 Ni\n0.475404 0.737702 0.655211 Ni\n0.262298 0.737702 0.655211 Ni\n0.262298 0.524596 0.655211 Ni\n0.142293 0.284586 0.500000 Ni\n0.857707 0.715414 0.500000 Ni\n0.715414 0.857707 0.500000 Ni\n0.142293 0.857707 0.500000 Ni\n0.857707 0.142293 0.500000 Ni\n0.284586 0.142293 0.500000 Ni\n",
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"nelements": 3,
"elements": [
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"chemical_system": "Ni-Si-Ti",
"density": 6.3294622454457,
"density_atomic": 0.08336647195407487,
"volume": 2015.1986291629116,
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"formula_full": "Ti26 Si62 Ni80",
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"updated_at": "2021-11-28T01:35:34.369000Z",
"spacegroup": 191
},
{
"id": "mp-757809",
"created_at": "2022-09-04T14:48:00.260896Z",
"structure_string": "Li24 Mn24 P24 O96\n1.0\n4.913735 -8.510838 0.000000\n4.913735 8.510838 0.000000\n0.000000 0.000000 23.341806\nLi Mn P O\n24 24 24 96\ndirect\n0.101385 0.813401 0.272282 Li\n0.095292 0.764729 0.921479 Li\n0.125811 0.760609 0.595410 Li\n0.313612 0.664295 0.755386 Li\n0.335705 0.649317 0.088719 Li\n0.350683 0.686388 0.422052 Li\n0.186599 0.287984 0.605616 Li\n0.239391 0.365202 0.928744 Li\n0.235271 0.330563 0.254812 Li\n0.634798 0.874189 0.262077 Li\n0.669437 0.904708 0.588145 Li\n0.287984 0.101385 0.438949 Li\n0.712016 0.898615 0.938949 Li\n0.330563 0.095292 0.088145 Li\n0.365202 0.125811 0.762077 Li\n0.764729 0.669437 0.754812 Li\n0.760609 0.634798 0.428744 Li\n0.813401 0.712016 0.105616 Li\n0.649317 0.313612 0.922052 Li\n0.664295 0.350683 0.588719 Li\n0.686388 0.335705 0.255386 Li\n0.874189 0.239391 0.095410 Li\n0.904708 0.235271 0.421479 Li\n0.898615 0.186599 0.772282 Li\n0.994391 0.016832 0.707466 Mn\n0.021963 0.559014 0.042728 Mn\n0.044035 0.466892 0.195796 Mn\n0.062035 0.501754 0.851115 Mn\n0.422856 0.955965 0.862463 Mn\n0.439719 0.937965 0.517782 Mn\n0.983168 0.977559 0.040799 Mn\n0.977559 0.994391 0.874132 Mn\n0.537052 0.978037 0.709395 Mn\n0.440986 0.462948 0.376061 Mn\n0.498246 0.560281 0.184448 Mn\n0.533108 0.577144 0.529130 Mn\n0.466892 0.422856 0.029130 Mn\n0.501754 0.439719 0.684448 Mn\n0.559014 0.537052 0.876061 Mn\n0.462948 0.021963 0.209395 Mn\n0.022441 0.005609 0.374132 Mn\n0.016832 0.022441 0.540799 Mn\n0.560281 0.062035 0.017782 Mn\n0.577144 0.044035 0.362463 Mn\n0.937965 0.498246 0.351115 Mn\n0.955965 0.533108 0.695796 Mn\n0.978037 0.440986 0.542728 Mn\n0.005609 0.983168 0.207466 Mn\n0.092583 0.794623 0.792316 P\n0.082418 0.758775 0.467059 P\n0.136611 0.793306 0.136511 P\n0.294286 0.656238 0.291628 P\n0.361952 0.705714 0.958295 P\n0.343762 0.638048 0.624962 P\n0.206694 0.343305 0.469844 P\n0.205377 0.297960 0.125649 P\n0.241225 0.323643 0.800392 P\n0.656695 0.863389 0.803178 P\n0.676357 0.917582 0.133725 P\n0.702040 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0.013721 O\n0.279316 0.546745 0.239627 O\n0.332227 0.596631 0.347054 O\n0.209184 0.461920 0.792015 O\n0.403369 0.735596 0.680387 O\n0.421150 0.829052 0.278548 O\n0.491534 0.852069 0.799337 O\n0.308162 0.435236 0.084019 O\n0.353635 0.484726 0.630046 O\n0.360534 0.508466 0.466003 O\n0.212396 0.251451 0.523141 O\n0.407902 0.578850 0.945215 O\n0.453255 0.732571 0.572960 O\n0.515274 0.868909 0.963379 O\n0.564764 0.872926 0.417353 O\n0.156251 0.134934 0.098250 O\n0.207275 0.251503 0.415643 O\n0.308262 0.321304 0.179115 O\n0.164154 0.085773 0.635872 O\n0.328610 0.345158 0.857456 O\n0.538080 0.747264 0.125348 O\n0.298431 0.244060 0.976861 O\n0.654842 0.983452 0.190790 O\n0.338028 0.310793 0.749991 O\n0.372618 0.306145 0.305463 O\n0.678696 0.986958 0.512448 O\n0.748549 0.960945 0.856474 O\n0.251503 0.044228 0.248976 O\n0.748497 0.955772 0.748976 O\n0.251451 0.039055 0.356474 O\n0.321304 0.013042 0.012448 O\n0.627382 0.693855 0.805463 O\n0.661972 0.689207 0.249991 O\n0.345158 0.016548 0.690790 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O\n0.872926 0.308162 0.250686 O\n0.868909 0.353635 0.796713 O\n0.755940 0.054370 0.310195 O\n0.983452 0.328610 0.024123 O\n0.960945 0.212396 0.689807 O\n0.865066 0.021317 0.431583 O\n0.986958 0.308262 0.345781 O\n0.914227 0.078381 0.969205 O\n0.955772 0.207275 0.582309 O\n",
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"elements": [
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],
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"volume": 1952.3087733467785,
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"formula_full": "Li24 Mn24 P24 O96",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -1305.06603638,
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"updated_at": "2021-11-28T01:38:25.284000Z",
"spacegroup": 169
}
]
}