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{
"id": "mp-1192467",
"created_at": "2022-09-04T14:47:57.278539Z",
"structure_string": "La2 Cl6 O14\n1.0\n-0.194758 -1.220271 -8.091096\n5.485190 -0.531456 -1.047586\n-1.372164 -8.762309 1.445733\nLa Cl O\n2 6 14\ndirect\n0.191460 0.239101 0.256416 La\n0.808540 0.760899 0.743584 La\n0.740837 0.265817 0.432121 Cl\n0.259163 0.734183 0.567879 Cl\n0.647427 0.276879 0.913083 Cl\n0.352573 0.723121 0.086917 Cl\n0.164501 0.297898 0.846136 Cl\n0.835499 0.702102 0.153864 Cl\n0.433690 0.928557 0.176329 O\n0.566311 0.071443 0.823671 O\n0.376518 0.485587 0.172838 O\n0.623482 0.514413 0.827162 O\n0.231069 0.897824 0.444271 O\n0.768931 0.102176 0.555729 O\n0.264891 0.475994 0.500341 O\n0.735109 0.524006 0.499659 O\n0.146701 0.161493 0.990009 O\n0.853299 0.838507 0.009991 O\n0.892016 0.207114 0.333429 O\n0.107984 0.792886 0.666571 O\n0.014079 0.616848 0.218169 O\n0.985921 0.383152 0.781831 O\n",
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{
"id": "mp-1235198",
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"structure_string": "Li1 V4 Ge4 O16\n1.0\n4.426916 0.010608 -0.284736\n0.011582 4.736111 -0.003372\n0.823798 -0.006342 11.526696\nLi V Ge O\n1 4 4 16\ndirect\n0.501515 0.255659 0.437123 Li\n0.003189 0.759672 0.566717 V\n0.499052 0.750905 0.068594 V\n0.498891 0.249863 0.930605 V\n0.000444 0.237608 0.434754 V\n0.002222 0.749289 0.820302 Ge\n0.503644 0.255227 0.682656 Ge\n0.497368 0.746099 0.316026 Ge\n0.995166 0.252483 0.178993 Ge\n0.233805 0.082193 0.308364 O\n0.252306 0.581419 0.435036 O\n0.248444 0.077617 0.062936 O\n0.266868 0.081468 0.564158 O\n0.266781 0.582085 0.190916 O\n0.274426 0.081143 0.808654 O\n0.225394 0.580128 0.692389 O\n0.248436 0.577188 0.938354 O\n0.749125 0.423784 0.061976 O\n0.761048 0.414838 0.307706 O\n0.729379 0.917555 0.190968 O\n0.727517 0.420171 0.808746 O\n0.739826 0.913005 0.435184 O\n0.751492 0.923615 0.937934 O\n0.745794 0.415540 0.561549 O\n0.777871 0.921445 0.692691 O\n",
"nsites": 25,
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"V",
"Ge",
"O"
],
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"density_atomic": 0.10297289829978373,
"volume": 242.7823282900886,
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"formula_full": "Li1 V4 Ge4 O16",
"formula_reduced": "LiV4(GeO4)4",
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"energy": -189.64739991,
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"spacegroup": 1
},
{
"id": "mp-1009831",
"created_at": "2022-09-04T14:47:57.307476Z",
"structure_string": "Ta1 N1\n1.0\n2.754331 0.000000 0.000000\n0.000000 2.754331 0.000000\n0.000000 0.000000 2.754331\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n",
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"elements": [
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"density": 15.492951076403019,
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"volume": 20.89528939361725,
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"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -21.26687767,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.895000Z",
"spacegroup": 221
},
{
"id": "mp-567285",
"created_at": "2022-09-04T14:47:57.310312Z",
"structure_string": "Ho12 Ni90 B36\n1.0\n9.567798 0.000000 -0.729940\n0.000000 10.665760 0.000000\n-0.033915 0.000000 14.231697\nHo Ni B\n12 90 36\ndirect\n0.339682 0.612739 0.687149 Ho\n0.063910 0.650375 0.361490 Ho\n0.160318 0.112739 0.312851 Ho\n0.563910 0.849625 0.361490 Ho\n0.660318 0.387261 0.312851 Ho\n0.792370 0.625291 0.973762 Ho\n0.292370 0.874709 0.973762 Ho\n0.936090 0.349625 0.638510 Ho\n0.207630 0.374709 0.026238 Ho\n0.839682 0.887261 0.687149 Ho\n0.707630 0.125291 0.026238 Ho\n0.436090 0.150375 0.638510 Ho\n0.434526 0.425980 0.157199 Ni\n0.130637 0.385526 0.338382 Ni\n0.297596 0.278910 0.471297 Ni\n0.932754 0.684048 0.152001 Ni\n0.065474 0.925980 0.842801 Ni\n0.075267 0.565803 0.566929 Ni\n0.036826 0.765921 0.990889 Ni\n0.662262 0.976072 0.185492 Ni\n0.869363 0.614474 0.661618 Ni\n0.202404 0.778910 0.528703 Ni\n0.792998 0.876532 0.031140 Ni\n0.292475 0.533337 0.484226 Ni\n0.174778 0.211414 0.711846 Ni\n0.948019 0.756972 0.536237 Ni\n0.597532 0.740280 0.687031 Ni\n0.442228 0.379796 0.746931 Ni\n0.292998 0.623468 0.031140 Ni\n0.560885 0.207559 0.179290 Ni\n0.270072 0.881581 0.386851 Ni\n0.557772 0.620204 0.253069 Ni\n0.444120 0.042465 0.073674 Ni\n0.770072 0.618419 0.386851 Ni\n0.146797 0.989551 0.690870 Ni\n0.179084 0.750963 0.144078 Ni\n0.551981 0.256972 0.463763 Ni\n0.983204 0.086283 0.572528 Ni\n0.555880 0.957535 0.926326 Ni\n0.963174 0.234079 0.009111 Ni\n0.575267 0.934197 0.566929 Ni\n0.301987 0.485046 0.867565 Ni\n0.424733 0.065803 0.433071 Ni\n0.051981 0.243028 0.463763 Ni\n0.934526 0.074020 0.157199 Ni\n0.729928 0.118419 0.613149 Ni\n0.584191 0.971529 0.750754 Ni\n0.820916 0.249037 0.855922 Ni\n0.924733 0.434197 0.433071 Ni\n0.060885 0.292441 0.179290 Ni\n0.679084 0.749037 0.144078 Ni\n0.707525 0.466663 0.515774 Ni\n0.207525 0.033337 0.515774 Ni\n0.792475 0.966663 0.484226 Ni\n0.207002 0.123468 0.968860 Ni\n0.320916 0.250963 0.855922 Ni\n0.565474 0.574020 0.842801 Ni\n0.448019 0.743028 0.536237 Ni\n0.500000 0.500000 0.000000 Ni\n0.198895 0.701286 0.850219 Ni\n0.337738 0.023928 0.814508 Ni\n0.646797 0.510449 0.690870 Ni\n0.432754 0.815952 0.152001 Ni\n0.162262 0.523928 0.185492 Ni\n0.674778 0.288586 0.711846 Ni\n0.016796 0.913717 0.427472 Ni\n0.229928 0.381581 0.613149 Ni\n0.325222 0.711414 0.288154 Ni\n0.439115 0.792441 0.820710 Ni\n0.837738 0.476072 0.814508 Ni\n0.801987 0.014954 0.867565 Ni\n0.402468 0.259720 0.312969 Ni\n0.057772 0.879796 0.253069 Ni\n0.698895 0.798714 0.850219 Ni\n0.702404 0.721090 0.528703 Ni\n0.944120 0.457535 0.073674 Ni\n0.939115 0.707559 0.820710 Ni\n0.825222 0.788586 0.288154 Ni\n0.353203 0.489551 0.309130 Ni\n0.301105 0.201286 0.149781 Ni\n0.698013 0.514954 0.132435 Ni\n0.902468 0.240280 0.312969 Ni\n0.415809 0.028471 0.249246 Ni\n0.198013 0.985046 0.132435 Ni\n0.483204 0.413717 0.572528 Ni\n0.797596 0.221090 0.471297 Ni\n0.369363 0.885526 0.661618 Ni\n0.084191 0.528471 0.750754 Ni\n0.567246 0.184048 0.847999 Ni\n0.463174 0.265921 0.009111 Ni\n0.000000 0.000000 0.000000 Ni\n0.630637 0.114474 0.338382 Ni\n0.536826 0.734079 0.990889 Ni\n0.067246 0.315952 0.847999 Ni\n0.055880 0.542465 0.926326 Ni\n0.097532 0.759720 0.687031 Ni\n0.915809 0.471529 0.249246 Ni\n0.853203 0.010449 0.309130 Ni\n0.942228 0.120204 0.746931 Ni\n0.707002 0.376532 0.968860 Ni\n0.801105 0.298714 0.149781 Ni\n0.516796 0.586283 0.427472 Ni\n0.106903 0.146906 0.096191 B\n0.491554 0.374025 0.890068 B\n0.331399 0.696873 0.423510 B\n0.642552 0.388885 0.823805 B\n0.991554 0.125975 0.890068 B\n0.008446 0.874025 0.109932 B\n0.606903 0.353094 0.096191 B\n0.857448 0.888885 0.176195 B\n0.668601 0.303127 0.576490 B\n0.893097 0.853094 0.903809 B\n0.219634 0.384266 0.755868 B\n0.076985 0.604154 0.062983 B\n0.372171 0.922360 0.518946 B\n0.576985 0.895846 0.062983 B\n0.508446 0.625975 0.109932 B\n0.168601 0.196873 0.576490 B\n0.256207 0.353260 0.226619 B\n0.872171 0.577640 0.518946 B\n0.243793 0.853260 0.773381 B\n0.357448 0.611115 0.176195 B\n0.127829 0.422360 0.481054 B\n0.719634 0.115734 0.755868 B\n0.831399 0.803127 0.423510 B\n0.393097 0.646906 0.903809 B\n0.432150 0.406658 0.425787 B\n0.142552 0.111115 0.823805 B\n0.923015 0.395846 0.937017 B\n0.067850 0.906658 0.574213 B\n0.932150 0.093342 0.425787 B\n0.627829 0.077640 0.481054 B\n0.280366 0.884266 0.244132 B\n0.567850 0.593342 0.574213 B\n0.756207 0.146740 0.226619 B\n0.780366 0.615734 0.244132 B\n0.423015 0.104154 0.937017 B\n0.743793 0.646740 0.773381 B\n",
"nsites": 138,
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"elements": [
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],
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"density": 8.749283296413111,
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"formula_full": "Ho12 Ni90 B36",
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},
{
"id": "mp-1076479",
"created_at": "2022-09-04T14:47:57.311279Z",
"structure_string": "Sr12 Ca20 Fe4 Co28 O80\n1.0\n0.036028 -0.003383 10.736811\n11.193140 0.005386 0.036692\n-5.607041 15.483874 -5.392183\nSr Ca Fe Co O\n12 20 4 28 80\ndirect\n0.308491 0.567242 0.608359 Sr\n0.805716 0.058547 0.608642 Sr\n0.803404 0.559181 0.609634 Sr\n0.194503 0.439595 0.383963 Sr\n0.197770 0.437165 0.893672 Sr\n0.692626 0.931309 0.383649 Sr\n0.057133 0.295583 0.608812 Sr\n0.056985 0.799897 0.610728 Sr\n0.560784 0.296537 0.609858 Sr\n0.447523 0.203648 0.890089 Sr\n0.944040 0.199838 0.384139 Sr\n0.946782 0.198368 0.889627 Sr\n0.306662 0.068482 0.112011 Ca\n0.309315 0.065841 0.605823 Ca\n0.308157 0.570545 0.113705 Ca\n0.802969 0.066511 0.109795 Ca\n0.804056 0.568236 0.112091 Ca\n0.200271 0.931133 0.388415 Ca\n0.192348 0.936143 0.894095 Ca\n0.693728 0.430071 0.389396 Ca\n0.696711 0.431676 0.893763 Ca\n0.697513 0.935294 0.890906 Ca\n0.056735 0.291344 0.110920 Ca\n0.054357 0.794782 0.111454 Ca\n0.551030 0.294607 0.111999 Ca\n0.555675 0.792468 0.110529 Ca\n0.552123 0.792892 0.607602 Ca\n0.450867 0.207736 0.389645 Ca\n0.443405 0.703054 0.389599 Ca\n0.447009 0.714434 0.894795 Ca\n0.946659 0.704447 0.388164 Ca\n0.943434 0.712242 0.894322 Ca\n0.108277 0.597311 0.753737 Fe\n0.610849 0.598772 0.754780 Fe\n0.363558 0.412849 0.753022 Fe\n0.362792 0.910544 0.752532 Fe\n0.009665 0.003588 0.006204 Co\n0.002919 0.995943 0.495913 Co\n0.007193 0.502748 0.006294 Co\n0.000344 0.500773 0.496758 Co\n0.506236 0.000941 0.002136 Co\n0.502542 0.995228 0.496000 Co\n0.506402 0.501167 0.004261 Co\n0.502974 0.499875 0.494959 Co\n0.258200 0.253306 0.007346 Co\n0.255029 0.248371 0.495775 Co\n0.256945 0.753758 0.003181 Co\n0.254481 0.753093 0.499370 Co\n0.759002 0.254581 0.009726 Co\n0.751029 0.245655 0.494085 Co\n0.756292 0.751241 0.001112 Co\n0.749929 0.743683 0.493729 Co\n0.110749 0.089326 0.247256 Co\n0.112319 0.090006 0.751149 Co\n0.106362 0.596276 0.245905 Co\n0.603832 0.092680 0.246813 Co\n0.606680 0.091872 0.748527 Co\n0.607231 0.590171 0.248405 Co\n0.360538 0.406011 0.247555 Co\n0.355815 0.904419 0.249515 Co\n0.853566 0.408604 0.248223 Co\n0.858669 0.410118 0.755353 Co\n0.860617 0.901692 0.245678 Co\n0.855966 0.900235 0.750526 Co\n0.132534 0.125246 0.489326 O\n0.130420 0.124469 0.994486 O\n0.120146 0.629523 0.484555 O\n0.129683 0.634802 0.993460 O\n0.625014 0.122348 0.485735 O\n0.633476 0.130714 0.995102 O\n0.623348 0.620236 0.482889 O\n0.631191 0.630099 0.989841 O\n0.131731 0.388965 0.016919 O\n0.125689 0.385155 0.504687 O\n0.130877 0.887783 0.014459 O\n0.132272 0.884711 0.503137 O\n0.634540 0.391504 0.017519 O\n0.630181 0.370855 0.501858 O\n0.632577 0.888661 0.016155 O\n0.623392 0.873627 0.504514 O\n0.377678 0.109440 0.485217 O\n0.379440 0.110752 0.993435 O\n0.373680 0.624744 0.486560 O\n0.385463 0.617615 0.994128 O\n0.878353 0.114500 0.491301 O\n0.878211 0.108895 0.993691 O\n0.872498 0.611072 0.485842 O\n0.878327 0.609722 0.989405 O\n0.384499 0.383238 0.018122 O\n0.376461 0.371991 0.502794 O\n0.383032 0.877676 0.016148 O\n0.378661 0.881088 0.510156 O\n0.879793 0.375666 0.014836 O\n0.874277 0.371114 0.503678 O\n0.883095 0.875770 0.016329 O\n0.878159 0.868522 0.502293 O\n0.093775 0.104198 0.142622 O\n0.087679 0.086078 0.640857 O\n0.085531 0.606403 0.139269 O\n0.076731 0.594764 0.639887 O\n0.587579 0.106896 0.142688 O\n0.582190 0.090878 0.639348 O\n0.590327 0.605452 0.143516 O\n0.581160 0.601186 0.642502 O\n0.439908 0.398427 0.353957 O\n0.452069 0.404405 0.863036 O\n0.435296 0.894381 0.356546 O\n0.459073 0.903017 0.863570 O\n0.935610 0.404921 0.355581 O\n0.942957 0.401131 0.861232 O\n0.942315 0.901545 0.355359 O\n0.945205 0.899301 0.859902 O\n0.344033 0.286572 0.143663 O\n0.336346 0.292049 0.642039 O\n0.341180 0.789404 0.143918 O\n0.337350 0.795718 0.642059 O\n0.841479 0.288242 0.143393 O\n0.830191 0.303760 0.645528 O\n0.840273 0.783087 0.140816 O\n0.826322 0.795551 0.640987 O\n0.191317 0.201313 0.354497 O\n0.189820 0.205019 0.857724 O\n0.191220 0.708044 0.351309 O\n0.204824 0.717234 0.862571 O\n0.685121 0.201926 0.355971 O\n0.686787 0.208407 0.855517 O\n0.695360 0.699209 0.354224 O\n0.705008 0.720178 0.862986 O\n0.424789 0.064637 0.249424 O\n0.422943 0.066464 0.744067 O\n0.426400 0.568244 0.248828 O\n0.432589 0.575710 0.758728 O\n0.927823 0.056711 0.239658 O\n0.933396 0.056063 0.749471 O\n0.925388 0.567027 0.247742 O\n0.933425 0.573118 0.760878 O\n0.176454 0.434777 0.239381 O\n0.184199 0.439939 0.752401 O\n0.174548 0.927758 0.247746 O\n0.186867 0.933738 0.760257 O\n0.672100 0.427670 0.247672 O\n0.679270 0.440560 0.759418 O\n0.678615 0.933306 0.240906 O\n0.674678 0.931396 0.751751 O\n",
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"elements": [
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"formula_full": "Sr12 Ca20 Fe4 Co28 O80",
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},
{
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