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{
"id": "mp-771764",
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"structure_string": "Mn5 P6 W1 O24\n1.0\n7.581191 -4.384286 0.000000\n7.581191 4.384286 0.000000\n5.045710 0.000000 7.158018\nMn P W O\n5 6 1 24\ndirect\n0.991025 0.991025 0.991025 Mn\n0.645510 0.645510 0.645510 Mn\n0.500064 0.500064 0.500064 Mn\n0.851781 0.851781 0.851781 Mn\n0.355409 0.355409 0.355409 Mn\n0.955071 0.252382 0.547456 P\n0.547456 0.955071 0.252382 P\n0.252382 0.547456 0.955071 P\n0.744348 0.458744 0.048793 P\n0.458744 0.048793 0.744348 P\n0.048793 0.744348 0.458744 P\n0.143869 0.143869 0.143869 W\n0.504738 0.107910 0.316369 O\n0.316369 0.504738 0.107910 O\n0.107910 0.316369 0.504738 O\n0.943357 0.086464 0.732869 O\n0.017207 0.179027 0.381005 O\n0.765037 0.404160 0.545229 O\n0.732869 0.943357 0.086464 O\n0.545229 0.765037 0.404160 O\n0.806834 0.609763 0.014664 O\n0.404160 0.545229 0.765037 O\n0.916035 0.259605 0.076735 O\n0.609763 0.014664 0.806834 O\n0.381005 0.017207 0.179027 O\n0.086464 0.732869 0.943357 O\n0.591581 0.432118 0.244207 O\n0.179027 0.381005 0.017207 O\n0.432118 0.244207 0.591581 O\n0.259605 0.076735 0.916035 O\n0.244207 0.591581 0.432118 O\n0.014664 0.806834 0.609763 O\n0.076735 0.916035 0.259605 O\n0.893836 0.701537 0.475250 O\n0.701537 0.475250 0.893836 O\n0.475250 0.893836 0.701537 O\n",
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{
"id": "mp-28095",
"created_at": "2022-09-04T14:42:17.001896Z",
"structure_string": "Au4 Se4 O14\n1.0\n4.297599 0.000000 0.000000\n0.000000 7.257360 0.000000\n0.000000 0.000000 11.587503\nAu Se O\n4 4 14\ndirect\n0.492385 0.693670 0.436601 Au\n0.492385 0.306330 0.563399 Au\n0.492385 0.806330 0.936601 Au\n0.492385 0.193670 0.063399 Au\n0.248343 0.601976 0.171660 Se\n0.248343 0.398024 0.828340 Se\n0.248343 0.898024 0.671660 Se\n0.248343 0.101976 0.328340 Se\n0.773327 0.500000 0.500000 O\n0.773327 0.000000 0.000000 O\n0.165357 0.879363 0.374573 O\n0.165357 0.120637 0.625427 O\n0.165357 0.620637 0.874573 O\n0.165357 0.379363 0.125427 O\n0.476700 0.537409 0.290760 O\n0.476700 0.462591 0.709240 O\n0.565752 0.336549 0.915092 O\n0.565752 0.663451 0.084908 O\n0.565752 0.163451 0.415092 O\n0.565752 0.836549 0.584908 O\n0.476700 0.037409 0.209240 O\n0.476700 0.962591 0.790760 O\n",
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"formula_full": "Au4 Se4 O14",
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},
{
"id": "mp-1302787",
"created_at": "2022-09-04T14:42:17.004570Z",
"structure_string": "Li4 Al2 Ni6 O12\n1.0\n4.370372 2.455276 -0.034315\n-0.058878 5.012533 0.034351\n1.366129 -0.788695 9.568085\nLi Al Ni O\n4 2 6 12\ndirect\n0.916056 0.414191 0.250706 Li\n0.414188 0.916025 0.749280 Li\n0.585812 0.093454 0.251314 Li\n0.093476 0.585780 0.748666 Li\n0.664238 0.664214 0.999991 Al\n0.171548 0.171592 0.499980 Al\n0.498267 0.498243 0.499992 Ni\n0.998736 0.998724 0.999986 Ni\n0.334146 0.334095 0.999963 Ni\n0.832201 0.832471 0.500127 Ni\n0.251135 0.742649 0.251139 Ni\n0.742677 0.251136 0.748865 Ni\n0.301923 0.009541 0.109333 O\n0.822138 0.519784 0.610644 O\n0.519831 0.822149 0.389389 O\n0.009565 0.301899 0.890642 O\n0.623937 0.399897 0.121551 O\n0.106586 0.897691 0.614047 O\n0.897680 0.106572 0.385977 O\n0.399920 0.623929 0.878421 O\n0.947798 0.719564 0.110978 O\n0.447229 0.201355 0.619747 O\n0.201317 0.447289 0.380272 O\n0.719596 0.947759 0.888990 O\n",
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"volume": 211.45472668591765,
"volume_molar": 5.305875535291351,
"formula_full": "Li4 Al2 Ni6 O12",
"formula_reduced": "Li2Al(NiO2)3",
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"energy": -155.21489997,
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{
"id": "mp-20893",
"created_at": "2022-09-04T14:42:17.019491Z",
"structure_string": "Ge3 O6\n1.0\n2.478765 -4.293347 0.000000\n2.478765 4.293347 0.000000\n0.000000 0.000000 5.404468\nGe O\n3 6\ndirect\n0.219883 0.219883 0.000000 Ge\n0.000000 0.780117 0.666667 Ge\n0.780117 0.000000 0.333333 Ge\n0.960027 0.381607 0.805667 O\n0.618393 0.578420 0.139000 O\n0.421580 0.039973 0.472334 O\n0.381607 0.960027 0.194333 O\n0.039973 0.421580 0.527666 O\n0.578420 0.618393 0.861000 O\n",
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"density": 4.531571233692041,
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"volume": 115.0308400695124,
"volume_molar": 7.697021229329465,
"formula_full": "Ge3 O6",
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"spacegroup": 152
},
{
"id": "mp-720808",
"created_at": "2022-09-04T14:42:17.024898Z",
"structure_string": "H4 Ru12 C34 O34\n1.0\n8.230684 0.000000 0.000000\n-3.704505 10.531578 0.000000\n-2.189920 -1.766118 15.264485\nH Ru C O\n4 12 34 34\ndirect\n0.420234 0.724344 0.761527 H\n0.579766 0.275656 0.238473 H\n0.160280 0.702091 0.633876 H\n0.839720 0.297909 0.366124 H\n0.295256 0.750850 0.848061 Ru\n0.704744 0.249150 0.151939 Ru\n0.037102 0.497872 0.790441 Ru\n0.962898 0.502128 0.209559 Ru\n0.260400 0.979506 0.781421 Ru\n0.739600 0.020494 0.218579 Ru\n0.016866 0.723841 0.710972 Ru\n0.983134 0.276159 0.289028 Ru\n0.389082 0.837001 0.672467 Ru\n0.610918 0.162999 0.327533 Ru\n0.272336 0.583909 0.677685 Ru\n0.727664 0.416091 0.322315 Ru\n0.161427 0.760890 0.936241 C\n0.838573 0.239110 0.063759 C\n0.492800 0.892055 0.906529 C\n0.507200 0.107945 0.093471 C\n0.400705 0.641099 0.906271 C\n0.599295 0.358901 0.093729 C\n0.864443 0.356493 0.720079 C\n0.135557 0.643507 0.279921 C\n0.139824 0.387170 0.843655 C\n0.860176 0.612830 0.156345 C\n0.894099 0.496875 0.876714 C\n0.105901 0.503125 0.123286 C\n0.192851 0.087118 0.706005 C\n0.807149 0.912882 0.293995 C\n0.461592 0.119275 0.831338 C\n0.538408 0.880725 0.168662 C\n0.124578 0.009535 0.864530 C\n0.875422 0.990465 0.135470 C\n0.840213 0.577339 0.642003 C\n0.159787 0.422661 0.357997 C\n0.871604 0.742512 0.791466 C\n0.128396 0.257488 0.208534 C\n0.958581 0.834407 0.630188 C\n0.041419 0.165593 0.369812 C\n0.615582 0.952160 0.709920 C\n0.384418 0.047840 0.290080 C\n0.354602 0.938529 0.584538 C\n0.645398 0.061471 0.415462 C\n0.452402 0.706065 0.595039 C\n0.547598 0.293935 0.404961 C\n0.133238 0.448695 0.594176 C\n0.866762 0.551305 0.405824 C\n0.403857 0.484472 0.715403 C\n0.596143 0.515528 0.284597 C\n0.087356 0.765724 0.993795 O\n0.912644 0.234276 0.006205 O\n0.616652 0.960344 0.952917 O\n0.383348 0.039656 0.047083 O\n0.483717 0.589570 0.944515 O\n0.516283 0.410430 0.055485 O\n0.757611 0.269050 0.678009 O\n0.242389 0.730950 0.321991 O\n0.200242 0.316185 0.874476 O\n0.799758 0.683815 0.125524 O\n0.807923 0.492137 0.930258 O\n0.192077 0.507863 0.069742 O\n0.152966 0.157761 0.663106 O\n0.847034 0.842239 0.336894 O\n0.581216 0.208172 0.862376 O\n0.418784 0.791828 0.137624 O\n0.042361 0.032871 0.913354 O\n0.957639 0.967129 0.086646 O\n0.726053 0.502097 0.593872 O\n0.273947 0.497903 0.406128 O\n0.773433 0.750824 0.836556 O\n0.226567 0.249176 0.163444 O\n0.908170 0.887039 0.576177 O\n0.091830 0.112961 0.423823 O\n0.758252 0.020589 0.735046 O\n0.241748 0.979411 0.264954 O\n0.331822 0.999396 0.529062 O\n0.668178 0.000604 0.470938 O\n0.530981 0.691426 0.540726 O\n0.469019 0.308574 0.459274 O\n0.042814 0.363515 0.543184 O\n0.957186 0.636485 0.456816 O\n0.486771 0.422914 0.740701 O\n0.513229 0.577086 0.259299 O\n",
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"formula_full": "H4 Ru12 C34 O34",
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{
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"structure_string": "U2 Fe12 P7\n1.0\n4.504823 -7.802582 0.000000\n4.504823 7.802582 0.000000\n0.000000 0.000000 3.606182\nU Fe P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 U\n0.816346 0.607972 0.000000 Fe\n0.392028 0.208374 0.000000 Fe\n0.791626 0.183654 0.000000 Fe\n0.046367 0.774636 0.500000 Fe\n0.225364 0.271730 0.500000 Fe\n0.728270 0.953633 0.500000 Fe\n0.106030 0.402853 0.000000 Fe\n0.597147 0.703177 0.000000 Fe\n0.296823 0.893970 0.000000 Fe\n0.895360 0.439503 0.500000 Fe\n0.560497 0.455856 0.500000 Fe\n0.544144 0.104640 0.500000 Fe\n0.771572 0.730595 0.500000 P\n0.269405 0.040977 0.500000 P\n0.959023 0.228428 0.500000 P\n0.666667 0.333333 0.000000 P\n0.068266 0.629773 0.000000 P\n0.370227 0.438493 0.000000 P\n0.561507 0.931734 0.000000 P\n",
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{
"id": "mp-1203548",
"created_at": "2022-09-04T14:42:17.001212Z",
"structure_string": "Cd6 Se8 O24\n1.0\n9.535666 0.000000 0.000000\n0.000000 7.426734 0.000000\n0.000000 3.707368 8.732794\nCd Se O\n6 8 24\ndirect\n0.870642 0.382132 0.659237 Cd\n0.370642 0.117868 0.340763 Cd\n0.129358 0.617868 0.340763 Cd\n0.629358 0.882132 0.659237 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.500000 Cd\n0.884516 0.868499 0.884847 Se\n0.384516 0.631501 0.115153 Se\n0.115484 0.131501 0.115153 Se\n0.615484 0.368499 0.884847 Se\n0.165609 0.541966 0.705892 Se\n0.665609 0.958034 0.294108 Se\n0.834391 0.458034 0.294108 Se\n0.334391 0.041966 0.705892 Se\n0.862423 0.047181 0.698086 O\n0.362423 0.452819 0.301914 O\n0.137577 0.952819 0.301914 O\n0.637577 0.547181 0.698086 O\n0.733872 0.741004 0.901263 O\n0.233872 0.758996 0.098737 O\n0.266128 0.258996 0.098737 O\n0.766128 0.241004 0.901263 O\n0.025616 0.743560 0.870297 O\n0.525616 0.756440 0.129703 O\n0.974384 0.256440 0.129703 O\n0.474384 0.243560 0.870297 O\n0.085877 0.318696 0.783173 O\n0.585877 0.181304 0.216827 O\n0.914123 0.681304 0.216827 O\n0.414123 0.818696 0.783173 O\n0.020255 0.662954 0.590702 O\n0.520255 0.837046 0.409298 O\n0.979745 0.337046 0.409298 O\n0.479745 0.162954 0.590702 O\n0.264913 0.526665 0.555464 O\n0.764913 0.973335 0.444536 O\n0.735087 0.473335 0.444536 O\n0.235087 0.026665 0.555464 O\n",
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{
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