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{
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"results": [
{
"id": "mp-557638",
"created_at": "2022-09-04T14:42:13.902194Z",
"structure_string": "Na2 Mo4 P6 O26\n1.0\n6.465169 0.000000 0.000000\n1.397563 7.457086 0.000000\n0.922185 2.730568 10.986042\nNa Mo P O\n2 4 6 26\ndirect\n0.320919 0.586444 0.771304 Na\n0.679081 0.413556 0.228696 Na\n0.782671 0.794545 0.909821 Mo\n0.239446 0.195542 0.596073 Mo\n0.217329 0.205455 0.090179 Mo\n0.760554 0.804458 0.403927 Mo\n0.878685 0.530616 0.687958 P\n0.263033 0.932849 0.888932 P\n0.738038 0.203700 0.664768 P\n0.261962 0.796300 0.335232 P\n0.121315 0.469384 0.312042 P\n0.736967 0.067151 0.111068 P\n0.893655 0.541428 0.346327 O\n0.077823 0.784816 0.429780 O\n0.246878 0.642332 0.259411 O\n0.527376 0.196009 0.132434 O\n0.267926 0.987478 0.009865 O\n0.097021 0.806130 0.894070 O\n0.473859 0.728893 0.396664 O\n0.310311 0.974015 0.581872 O\n0.220658 0.107875 0.784531 O\n0.747996 0.655272 0.581780 O\n0.902979 0.193870 0.105930 O\n0.472624 0.803991 0.867566 O\n0.252004 0.344728 0.418220 O\n0.131277 0.380298 0.205492 O\n0.245240 0.983084 0.247964 O\n0.922177 0.215184 0.570220 O\n0.764254 0.630663 0.043874 O\n0.753122 0.357668 0.740589 O\n0.779342 0.892125 0.215469 O\n0.754760 0.016916 0.752036 O\n0.235746 0.369337 0.956126 O\n0.106345 0.458572 0.653673 O\n0.526141 0.271107 0.603336 O\n0.868723 0.619702 0.794508 O\n0.689689 0.025985 0.418128 O\n0.732074 0.012522 0.990135 O\n",
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},
{
"id": "mp-652407",
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"structure_string": "Ru12 C48 O48\n1.0\n15.054979 0.000000 0.000000\n0.000000 8.231489 0.000000\n0.000000 5.405008 14.477129\nRu C O\n12 48 48\ndirect\n0.525351 0.781182 0.778353 Ru\n0.080736 0.642876 0.159681 Ru\n0.974649 0.781182 0.278353 Ru\n0.025351 0.218818 0.721647 Ru\n0.419264 0.642876 0.659681 Ru\n0.831541 0.234341 0.704363 Ru\n0.580736 0.357124 0.340319 Ru\n0.919264 0.357124 0.840319 Ru\n0.474649 0.218818 0.221647 Ru\n0.668459 0.234341 0.204363 Ru\n0.168459 0.765659 0.295637 Ru\n0.331541 0.765659 0.795637 Ru\n0.158088 0.530238 0.384591 C\n0.182022 0.857126 0.393954 C\n0.513253 0.010967 0.685019 C\n0.049423 0.118591 0.628407 C\n0.980263 0.599629 0.093984 C\n0.986747 0.010967 0.185019 C\n0.825067 0.002354 0.797418 C\n0.214500 0.716135 0.764995 C\n0.860693 0.749264 0.232047 C\n0.470198 0.451960 0.130001 C\n0.317978 0.857126 0.893954 C\n0.927945 0.587828 0.745917 C\n0.658088 0.469762 0.115409 C\n0.595710 0.123731 0.428936 C\n0.950577 0.881409 0.371593 C\n0.785500 0.283865 0.235005 C\n0.139307 0.250736 0.767953 C\n0.360693 0.250736 0.267953 C\n0.013253 0.989033 0.814981 C\n0.674933 0.002354 0.297418 C\n0.519737 0.599629 0.593984 C\n0.970198 0.548040 0.369999 C\n0.529802 0.548040 0.869999 C\n0.817978 0.142874 0.606046 C\n0.681839 0.431056 0.392261 C\n0.572055 0.587828 0.245917 C\n0.549423 0.881409 0.871593 C\n0.181839 0.568944 0.107739 C\n0.480263 0.400371 0.406016 C\n0.285500 0.716135 0.264995 C\n0.841912 0.469762 0.615409 C\n0.325067 0.997646 0.702582 C\n0.904290 0.123731 0.928936 C\n0.486747 0.989033 0.314981 C\n0.427945 0.412172 0.754083 C\n0.174933 0.997646 0.202582 C\n0.095710 0.876269 0.071064 C\n0.072055 0.412172 0.254083 C\n0.639307 0.749264 0.732047 C\n0.714500 0.283865 0.735005 C\n0.029802 0.451960 0.630001 C\n0.318161 0.568944 0.607739 C\n0.404290 0.876269 0.571064 C\n0.682022 0.142874 0.106046 C\n0.019737 0.400371 0.906016 C\n0.450577 0.118591 0.128407 C\n0.341912 0.530238 0.884591 C\n0.818161 0.431056 0.892261 C\n0.812041 0.863656 0.849372 O\n0.984897 0.151543 0.131901 O\n0.568121 0.731679 0.197695 O\n0.312041 0.136344 0.650628 O\n0.434332 0.052894 0.075265 O\n0.755823 0.473162 0.923233 O\n0.894168 0.993604 0.989719 O\n0.565668 0.947106 0.924735 O\n0.419674 0.428318 0.445197 O\n0.515103 0.151543 0.631901 O\n0.355992 0.687541 0.243513 O\n0.244177 0.526838 0.076767 O\n0.580326 0.571682 0.554803 O\n0.162844 0.393533 0.440231 O\n0.791851 0.727207 0.204025 O\n0.744177 0.473162 0.423233 O\n0.193491 0.910930 0.453036 O\n0.208149 0.272793 0.795975 O\n0.015103 0.848457 0.868099 O\n0.693491 0.089070 0.046964 O\n0.187959 0.136344 0.150628 O\n0.068121 0.268321 0.302305 O\n0.662844 0.606467 0.059769 O\n0.605832 0.993604 0.489719 O\n0.306509 0.910930 0.953036 O\n0.458445 0.585109 0.072557 O\n0.934332 0.947106 0.424735 O\n0.837156 0.606467 0.559769 O\n0.708149 0.727207 0.704025 O\n0.291851 0.272793 0.295975 O\n0.958445 0.414891 0.427443 O\n0.687959 0.863656 0.349372 O\n0.144008 0.687541 0.743513 O\n0.931879 0.731679 0.697695 O\n0.431879 0.268321 0.802305 O\n0.484897 0.848457 0.368099 O\n0.855992 0.312459 0.256487 O\n0.337156 0.393533 0.940231 O\n0.255823 0.526838 0.576767 O\n0.919674 0.571682 0.054803 O\n0.806509 0.089070 0.546964 O\n0.080326 0.428318 0.945197 O\n0.041555 0.585109 0.572557 O\n0.065668 0.052894 0.575265 O\n0.105832 0.006396 0.010281 O\n0.644008 0.312459 0.756487 O\n0.394168 0.006396 0.510281 O\n0.541555 0.414891 0.927443 O\n",
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"elements": [
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"C",
"O"
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"volume": 1794.076677237654,
"volume_molar": 10.003872485702075,
"formula_full": "Ru12 C48 O48",
"formula_reduced": "Ru(CO)4",
"formula_anonymous": "AB4C4",
"energy": -895.2924004800001,
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"updated_at": "2021-11-28T01:34:51.602000Z",
"spacegroup": 14
},
{
"id": "mp-756591",
"created_at": "2022-09-04T14:40:25.754092Z",
"structure_string": "Sm6 Nb2 O14\n1.0\n3.838174 -5.405642 0.000000\n3.838174 5.405642 0.000000\n0.000000 0.000000 7.677232\nSm Nb O\n6 2 14\ndirect\n0.463788 0.000573 0.254850 Sm\n0.999427 0.536212 0.245150 Sm\n0.473512 0.473512 0.000000 Sm\n0.526488 0.526488 0.500000 Sm\n0.536212 0.999427 0.754850 Sm\n0.000573 0.463788 0.745150 Sm\n0.003317 0.003317 0.500000 Nb\n0.996683 0.996683 0.000000 Nb\n0.935218 0.064782 0.750000 O\n0.636398 0.363602 0.750000 O\n0.311097 0.059613 0.536871 O\n0.940387 0.688903 0.963129 O\n0.629561 0.370439 0.250000 O\n0.920911 0.676462 0.526395 O\n0.323538 0.079089 0.973605 O\n0.079089 0.323538 0.026395 O\n0.676462 0.920911 0.473605 O\n0.370439 0.629561 0.750000 O\n0.688903 0.940387 0.036871 O\n0.059613 0.311097 0.463129 O\n0.363602 0.636398 0.250000 O\n0.064782 0.935218 0.250000 O\n",
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"density": 6.83855800457934,
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"spacegroup": 20
},
{
"id": "mp-555589",
"created_at": "2022-09-04T14:42:22.565789Z",
"structure_string": "Fe8 Se24 O60\n1.0\n11.387237 0.000000 0.000000\n0.000000 11.295371 -2.604276\n0.000000 0.025635 11.935984\nFe Se O\n8 24 60\ndirect\n0.261436 0.758407 0.769460 Fe\n0.241374 0.759151 0.273405 Fe\n0.238564 0.258407 0.269460 Fe\n0.258626 0.259151 0.773405 Fe\n0.758626 0.240849 0.726595 Fe\n0.738564 0.241593 0.230540 Fe\n0.741374 0.740849 0.226595 Fe\n0.761436 0.741593 0.730540 Fe\n0.484953 0.108140 0.210437 Se\n0.838820 0.860170 0.007961 Se\n0.981389 0.671423 0.337142 Se\n0.661180 0.360170 0.507961 Se\n0.672236 0.521935 0.873456 Se\n0.161180 0.139830 0.992039 Se\n0.518611 0.171423 0.837142 Se\n0.101482 0.748495 0.010775 Se\n0.018611 0.328577 0.662858 Se\n0.172236 0.978065 0.626544 Se\n0.984953 0.391860 0.289563 Se\n0.327764 0.478065 0.126544 Se\n0.598200 0.488880 0.212726 Se\n0.827764 0.021935 0.373456 Se\n0.898518 0.251505 0.989225 Se\n0.515047 0.891860 0.789563 Se\n0.015047 0.608140 0.710437 Se\n0.901800 0.988880 0.712726 Se\n0.398518 0.248495 0.510775 Se\n0.098200 0.011120 0.287274 Se\n0.401800 0.511120 0.787274 Se\n0.338820 0.639830 0.492039 Se\n0.601482 0.751505 0.489225 Se\n0.481389 0.828577 0.162858 Se\n0.221001 0.916596 0.734130 O\n0.297660 0.299250 0.614078 O\n0.296989 0.613847 0.838510 O\n0.146839 0.806576 0.899836 O\n0.353161 0.306576 0.399836 O\n0.118973 0.363746 0.771508 O\n0.137421 0.666452 0.661737 O\n0.881027 0.636254 0.228492 O\n0.361618 0.397247 0.848299 O\n0.637421 0.833548 0.838263 O\n0.629049 0.291425 0.368857 O\n0.870951 0.791425 0.868857 O\n0.849188 0.878065 0.301065 O\n0.203011 0.113847 0.338510 O\n0.594947 0.165863 0.144634 O\n0.980767 0.072234 0.392876 O\n0.381027 0.863746 0.271508 O\n0.638382 0.602753 0.151701 O\n0.107079 0.645682 0.255990 O\n0.488712 0.635421 0.433828 O\n0.892921 0.354318 0.744010 O\n0.861618 0.102753 0.651701 O\n0.011288 0.135421 0.933828 O\n0.519233 0.572234 0.892876 O\n0.129049 0.208575 0.131143 O\n0.223365 0.250561 0.940024 O\n0.392921 0.145682 0.755990 O\n0.202340 0.799250 0.114078 O\n0.019233 0.927766 0.607124 O\n0.405053 0.834137 0.855366 O\n0.362579 0.166452 0.161737 O\n0.776635 0.749439 0.059976 O\n0.618973 0.136254 0.728492 O\n0.702340 0.700750 0.385922 O\n0.607079 0.854318 0.244010 O\n0.977633 0.537592 0.391982 O\n0.138382 0.897247 0.348299 O\n0.511288 0.364579 0.566172 O\n0.862579 0.333548 0.338263 O\n0.278999 0.416596 0.234130 O\n0.480767 0.427766 0.107124 O\n0.778999 0.083404 0.265870 O\n0.646839 0.693424 0.600164 O\n0.905053 0.665863 0.644634 O\n0.370951 0.708575 0.631143 O\n0.796989 0.886153 0.661490 O\n0.723365 0.249439 0.559976 O\n0.349188 0.621935 0.198935 O\n0.150812 0.121935 0.698935 O\n0.094947 0.334137 0.355366 O\n0.522367 0.037592 0.891982 O\n0.721001 0.583404 0.765870 O\n0.797660 0.200749 0.885922 O\n0.703011 0.386153 0.161490 O\n0.276635 0.750561 0.440024 O\n0.650812 0.378065 0.801065 O\n0.022367 0.462408 0.608018 O\n0.477633 0.962408 0.108018 O\n0.988712 0.864579 0.066172 O\n0.853161 0.193424 0.100164 O\n",
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],
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"density_atomic": 0.059895713086560345,
"volume": 1536.0030836771748,
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"formula_full": "Fe8 Se24 O60",
"formula_reduced": "Fe2(Se2O5)3",
"formula_anonymous": "A2B6C15",
"energy": -569.51640028,
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"spacegroup": 14
},
{
"id": "mp-1114004",
"created_at": "2022-09-04T14:47:01.746526Z",
"structure_string": "Rb2 Tl1 Ga1 Cl6\n1.0\n0.000000 5.442851 5.442851\n5.442851 0.000000 5.442851\n5.442851 5.442851 0.000000\nRb Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.779351 0.220649 0.220649 Cl\n0.220649 0.220649 0.779351 Cl\n0.220649 0.779351 0.779351 Cl\n0.220649 0.779351 0.220649 Cl\n0.779351 0.220649 0.779351 Cl\n0.779351 0.779351 0.220649 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 322.48486147242767,
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"formula_full": "Rb2 Tl1 Ga1 Cl6",
"formula_reduced": "Rb2TlGaCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.28683487,
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{
"id": "mp-710168",
"created_at": "2022-09-04T14:42:42.755966Z",
"structure_string": "Te4 Pb6 Cl4 O12\n1.0\n2.853305 8.387975 0.000000\n-2.853305 8.387975 0.000000\n0.000000 2.667279 10.784142\nTe Pb Cl O\n4 6 4 12\ndirect\n0.397060 0.400484 0.047931 Te\n0.876287 0.872623 0.593863 Te\n0.127194 0.124441 0.410301 Te\n0.595869 0.610130 0.950059 Te\n0.668619 0.653789 0.609848 Pb\n0.740266 0.737985 0.197996 Pb\n0.343316 0.338505 0.392489 Pb\n0.971495 0.985636 0.202626 Pb\n0.029045 0.016040 0.797473 Pb\n0.268666 0.251973 0.798359 Pb\n0.178665 0.190419 0.097140 Cl\n0.548364 0.535766 0.295806 Cl\n0.466048 0.455447 0.698167 Cl\n0.823160 0.808178 0.900275 Cl\n0.026734 0.550685 0.619102 O\n0.902720 0.893655 0.418563 O\n0.864566 0.400961 0.810738 O\n0.962638 0.459382 0.383897 O\n0.596587 0.138228 0.188631 O\n0.555395 0.022928 0.612885 O\n0.402813 0.859859 0.818791 O\n0.133737 0.599419 0.189320 O\n0.722872 0.281294 0.001135 O\n0.111419 0.098361 0.578443 O\n0.447548 0.973237 0.380853 O\n0.293354 0.710259 0.999675 O\n",
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"Cl",
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],
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"formula_full": "Te4 Pb6 Cl4 O12",
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{
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"updated_at": "2021-11-28T01:36:24.849000Z",
"spacegroup": 14
}
]
}