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{
"id": "mp-1179015",
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"structure_string": "Sr1 Zn1 O5\n1.0\n4.479507 -0.085851 2.457517\n-1.351209 6.566121 -1.223216\n0.815176 -0.488374 4.926759\nSr Zn O\n1 1 5\ndirect\n0.205627 0.084222 0.663217 Sr\n0.524383 0.678460 0.773489 Zn\n0.588004 0.992438 0.041706 O\n0.641185 0.955444 0.695522 O\n0.021643 0.644948 0.649462 O\n0.302732 0.427602 0.858902 O\n0.988026 0.460685 0.688904 O\n",
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{
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"structure_string": "Yb1 Pr1 Cd2\n1.0\n0.000000 3.847220 3.847220\n3.847220 0.000000 3.847220\n3.847220 3.847220 0.000000\nYb Pr Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n",
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{
"id": "mp-1265576",
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"structure_string": "Al2 Fe3 F15\n1.0\n3.109851 4.193473 0.000000\n-3.109851 4.193473 0.000000\n0.000000 3.343332 10.227792\nAl Fe F\n2 3 15\ndirect\n0.656990 0.656990 0.840692 Al\n0.343010 0.343010 0.159308 Al\n0.000000 0.000000 0.000000 Fe\n0.372220 0.372220 0.634369 Fe\n0.627780 0.627780 0.365631 Fe\n0.933814 0.343076 0.862031 F\n0.302489 0.697511 0.500000 F\n0.656924 0.066186 0.137969 F\n0.343076 0.933814 0.862031 F\n0.697511 0.302489 0.500000 F\n0.066186 0.656924 0.137969 F\n0.476172 0.476172 0.766541 F\n0.832248 0.832248 0.379252 F\n0.175446 0.175446 0.078695 F\n0.824554 0.824554 0.921305 F\n0.167752 0.167752 0.620748 F\n0.523828 0.523828 0.233459 F\n0.500000 0.500000 0.000000 F\n0.800449 0.800449 0.687786 F\n0.199551 0.199551 0.312214 F\n",
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{
"id": "mp-690518",
"created_at": "2022-09-04T14:44:57.555802Z",
"structure_string": "Na1 Co3 O6\n1.0\n4.827852 -2.506613 0.000000\n4.827852 2.506613 0.000000\n3.526423 0.000000 4.141933\nNa Co O\n1 3 6\ndirect\n0.194202 0.194202 0.194202 Na\n0.978627 0.978627 0.978627 Co\n0.458530 0.458530 0.458530 Co\n0.659224 0.659224 0.659224 Co\n0.068522 0.377682 0.732339 O\n0.250789 0.825153 0.648391 O\n0.377682 0.732339 0.068522 O\n0.648391 0.250789 0.825153 O\n0.732339 0.068522 0.377682 O\n0.825153 0.648391 0.250789 O\n",
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"volume": 100.24767314384395,
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"formula_full": "Na1 Co3 O6",
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"spacegroup": 146
},
{
"id": "mp-1228752",
"created_at": "2022-09-04T14:44:57.560841Z",
"structure_string": "Al4 Cu15\n1.0\n3.608770 0.000000 0.000000\n0.000000 3.608770 0.000000\n0.000000 0.000000 18.456224\nAl Cu\n4 15\ndirect\n0.000000 0.000000 0.191048 Al\n0.000000 0.000000 0.396653 Al\n0.000000 0.000000 0.603347 Al\n0.000000 0.000000 0.808952 Al\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.189616 Cu\n0.500000 0.500000 0.396599 Cu\n0.500000 0.500000 0.603401 Cu\n0.500000 0.500000 0.810384 Cu\n0.500000 0.000000 0.090001 Cu\n0.500000 0.000000 0.292700 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.707300 Cu\n0.500000 0.000000 0.909999 Cu\n0.000000 0.500000 0.090001 Cu\n0.000000 0.500000 0.292700 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.707300 Cu\n0.000000 0.500000 0.909999 Cu\n",
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"formula_full": "Al4 Cu15",
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"energy": -78.32826927,
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"spacegroup": 123
},
{
"id": "mp-1638910",
"created_at": "2022-09-04T14:44:57.526263Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.871686 0.000072 -0.000042\n-1.435783 7.134991 8.670247\n1.435469 -7.585243 12.544587\nLi Mn O\n14 10 24\ndirect\n0.666834 0.250262 0.916755 Li\n0.666486 0.749739 0.416635 Li\n0.500755 0.121016 0.119707 Li\n0.500713 0.620931 0.619657 Li\n0.832714 0.379088 0.713691 Li\n0.832466 0.878954 0.213599 Li\n0.513383 0.400030 0.373268 Li\n0.513925 0.900664 0.873050 Li\n0.820068 0.599941 0.960100 Li\n0.819545 0.099315 0.460307 Li\n0.152135 0.343783 0.039960 Li\n0.151866 0.843291 0.539816 Li\n0.181277 0.656235 0.293374 Li\n0.181520 0.156694 0.793533 Li\n0.010959 0.019975 0.998226 Mn\n0.010556 0.519480 0.498370 Mn\n0.322867 0.480516 0.834967 Mn\n0.322402 0.980196 0.334965 Mn\n0.993687 0.738976 0.751178 Mn\n0.992684 0.238147 0.251791 Mn\n0.339933 0.761727 0.081530 Mn\n0.339422 0.260989 0.582220 Mn\n0.667081 0.000026 0.666646 Mn\n0.666536 0.500000 0.166634 Mn\n0.431701 0.454415 0.591077 O\n0.431815 0.954399 0.091025 O\n0.901673 0.545586 0.742295 O\n0.901390 0.045607 0.242245 O\n0.410282 0.666731 0.846313 O\n0.409217 0.165941 0.346837 O\n0.923955 0.834061 0.986467 O\n0.923181 0.333253 0.487084 O\n0.075583 0.171062 0.020046 O\n0.075503 0.670820 0.519795 O\n0.257874 0.329191 0.813558 O\n0.257657 0.828971 0.313273 O\n0.087513 0.437782 0.262450 O\n0.088354 0.938355 0.762388 O\n0.245519 0.562183 0.070868 O\n0.245659 0.061634 0.570974 O\n0.762763 0.702609 0.177458 O\n0.762603 0.202843 0.678087 O\n0.570386 0.297381 0.155842 O\n0.570955 0.797171 0.655295 O\n0.752532 0.434844 0.929964 O\n0.751989 0.934266 0.429900 O\n0.580815 0.565138 0.403390 O\n0.581269 0.065782 0.903388 O\n",
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"elements": [
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"density": 3.8378086291511044,
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"volume": 445.8930025125911,
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"formula_full": "Li14 Mn10 O24",
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"energy": -339.30664338,
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{
"id": "mp-695001",
"created_at": "2022-09-04T14:44:57.531167Z",
"structure_string": "V12 Cu10 Te24\n1.0\n7.837154 0.000000 0.000000\n0.586130 9.000069 0.000000\n2.282435 0.988609 15.363658\nV Cu Te\n12 10 24\ndirect\n0.873600 0.403452 0.428775 V\n0.373659 0.044886 0.544013 V\n0.950447 0.667044 0.712551 V\n0.076594 0.652543 0.865793 V\n0.595887 0.308685 0.733139 V\n0.872630 0.998938 0.098250 V\n0.127370 0.001062 0.901750 V\n0.404113 0.691315 0.266861 V\n0.923406 0.347457 0.134207 V\n0.049553 0.332956 0.287449 V\n0.626341 0.955114 0.455987 V\n0.126400 0.596548 0.571225 V\n0.508395 0.771535 0.592115 Cu\n0.129748 0.409836 0.738427 Cu\n0.011045 0.915261 0.606346 Cu\n0.335868 0.612906 0.713631 Cu\n0.993977 0.684206 0.067861 Cu\n0.006023 0.315794 0.932139 Cu\n0.664132 0.387094 0.286369 Cu\n0.988955 0.084739 0.393654 Cu\n0.870252 0.590164 0.261573 Cu\n0.491605 0.228465 0.407885 Cu\n0.937945 0.812993 0.469484 Te\n0.647506 0.055647 0.621331 Te\n0.373540 0.364747 0.604118 Te\n0.787422 0.502251 0.606481 Te\n0.939875 0.184130 0.790690 Te\n0.171070 0.875140 0.735538 Te\n0.462272 0.084471 0.848036 Te\n0.613974 0.779507 0.756050 Te\n0.302926 0.757129 0.962528 Te\n0.787135 0.509087 0.858179 Te\n0.832990 0.851471 0.953810 Te\n0.340561 0.434845 0.864065 Te\n0.659439 0.565155 0.135935 Te\n0.167010 0.148529 0.046190 Te\n0.697074 0.242871 0.037472 Te\n0.212865 0.490913 0.141821 Te\n0.386026 0.220493 0.243950 Te\n0.537728 0.915529 0.151964 Te\n0.828930 0.124860 0.264462 Te\n0.060125 0.815870 0.209310 Te\n0.212578 0.497749 0.393519 Te\n0.352494 0.944353 0.378669 Te\n0.626460 0.635253 0.395882 Te\n0.062055 0.187007 0.530516 Te\n",
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{
"id": "mp-1234758",
"created_at": "2022-09-04T14:44:57.533669Z",
"structure_string": "Cs4 Mg1 Mn4 H16 Cl12 O8\n1.0\n0.000000 -8.059327 0.000000\n-9.119621 0.000000 0.138426\n0.174818 0.000000 -11.779266\nCs Mg Mn H Cl O\n4 1 4 16 12 8\ndirect\n0.040429 0.683112 0.383336 Cs\n0.040429 0.316888 0.116664 Cs\n0.003116 0.237447 0.650480 Cs\n0.003116 0.762553 0.849520 Cs\n0.869681 0.000000 0.250000 Mg\n0.434661 0.000000 0.250000 Mn\n0.523106 0.500000 0.250000 Mn\n0.533097 0.000000 0.750000 Mn\n0.488843 0.500000 0.750000 Mn\n0.667788 0.980315 0.057816 H\n0.331794 0.529314 0.049477 H\n0.331794 0.470686 0.450523 H\n0.667788 0.019685 0.442184 H\n0.322778 0.026476 0.942171 H\n0.685386 0.479364 0.947654 H\n0.685386 0.520636 0.552346 H\n0.322778 0.973524 0.557829 H\n0.669965 0.822999 0.114436 H\n0.313097 0.679717 0.117832 H\n0.313097 0.320283 0.382168 H\n0.669965 0.177001 0.385564 H\n0.320059 0.180464 0.882125 H\n0.692546 0.323701 0.883424 H\n0.692546 0.676299 0.616576 H\n0.320059 0.819536 0.617875 H\n0.480689 0.752592 0.344461 Cl\n0.480689 0.247408 0.155539 Cl\n0.516563 0.247186 0.655657 Cl\n0.516563 0.752814 0.844343 Cl\n0.251436 0.905535 0.093204 Cl\n0.744277 0.589986 0.111057 Cl\n0.744277 0.410014 0.388943 Cl\n0.251436 0.094465 0.406796 Cl\n0.757674 0.090222 0.893813 Cl\n0.254887 0.418460 0.883956 Cl\n0.254887 0.581540 0.616044 Cl\n0.757674 0.909778 0.606187 Cl\n0.655553 0.930020 0.130996 O\n0.323635 0.572075 0.127410 O\n0.323635 0.427925 0.372590 O\n0.655553 0.069980 0.369004 O\n0.326823 0.073392 0.867356 O\n0.685561 0.430595 0.871346 O\n0.685561 0.569405 0.628654 O\n0.326823 0.926608 0.632644 O\n",
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{
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"structure_string": "Dy2 Ga12\n1.0\n6.014688 0.000000 0.000000\n0.000000 6.014688 0.000000\n0.000000 0.000000 7.580762\nDy Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.500000 0.160243 Ga\n0.000000 0.000000 0.160243 Ga\n0.000000 0.000000 0.839757 Ga\n0.500000 0.500000 0.839757 Ga\n0.805672 0.694328 0.347083 Ga\n0.305672 0.805672 0.347083 Ga\n0.694328 0.194328 0.347083 Ga\n0.194328 0.305672 0.347083 Ga\n0.694328 0.805672 0.652917 Ga\n0.194328 0.694328 0.652917 Ga\n0.805672 0.305672 0.652917 Ga\n0.305672 0.194328 0.652917 Ga\n",
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{
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