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{
"id": "mp-556902",
"created_at": "2022-09-04T14:41:55.618018Z",
"structure_string": "K2 Li8 Nb2 O10\n1.0\n5.868114 0.000000 0.000000\n-2.917722 -5.231147 0.000000\n-1.584894 0.618242 -8.160372\nK Li Nb O\n2 8 2 10\ndirect\n0.615074 0.762353 0.416298 K\n0.384926 0.237647 0.583702 K\n0.340257 0.000606 0.880101 Li\n0.659743 0.999394 0.119899 Li\n0.597412 0.391426 0.086770 Li\n0.883059 0.332170 0.388358 Li\n0.090985 0.395862 0.104855 Li\n0.402588 0.608574 0.913230 Li\n0.116941 0.667830 0.611642 Li\n0.909015 0.604138 0.895145 Li\n0.142488 0.937389 0.198307 Nb\n0.857512 0.062611 0.801693 Nb\n0.780001 0.764559 0.032025 O\n0.518955 0.182812 0.276991 O\n0.219999 0.235441 0.967975 O\n0.260018 0.756000 0.052442 O\n0.481045 0.817188 0.723009 O\n0.928461 0.294091 0.634586 O\n0.021825 0.159544 0.280438 O\n0.739982 0.244000 0.947558 O\n0.071539 0.705909 0.365414 O\n0.978175 0.840456 0.719562 O\n",
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{
"id": "mp-697969",
"created_at": "2022-09-04T14:41:55.559979Z",
"structure_string": "Rb8 Cu12 H8 S12 O56\n1.0\n5.282620 0.000000 0.000000\n0.000000 16.333985 0.000000\n0.000000 0.000000 17.687901\nRb Cu H S O\n8 12 8 12 56\ndirect\n0.278488 0.384734 0.445039 Rb\n0.221512 0.884734 0.054961 Rb\n0.721512 0.615266 0.945039 Rb\n0.778488 0.115266 0.554961 Rb\n0.721512 0.615266 0.554961 Rb\n0.778488 0.115266 0.945039 Rb\n0.278488 0.384734 0.054961 Rb\n0.221512 0.884734 0.445039 Rb\n0.296481 0.287292 0.677527 Cu\n0.203519 0.787292 0.822473 Cu\n0.703519 0.712708 0.177527 Cu\n0.796481 0.212708 0.322473 Cu\n0.703519 0.712708 0.322473 Cu\n0.796481 0.212708 0.177527 Cu\n0.296481 0.287292 0.822473 Cu\n0.203519 0.787292 0.677527 Cu\n0.601739 0.957169 0.750000 Cu\n0.898261 0.457169 0.750000 Cu\n0.398261 0.042831 0.250000 Cu\n0.101739 0.542831 0.250000 Cu\n0.697130 0.133554 0.750000 H\n0.802870 0.633554 0.750000 H\n0.302870 0.866446 0.250000 H\n0.197130 0.366446 0.250000 H\n0.100019 0.737611 0.750000 H\n0.399981 0.237611 0.750000 H\n0.899981 0.262389 0.250000 H\n0.600019 0.762389 0.250000 H\n0.832378 0.369464 0.586963 S\n0.667622 0.869464 0.913037 S\n0.167622 0.630536 0.086963 S\n0.332378 0.130536 0.413037 S\n0.167622 0.630536 0.413037 S\n0.332378 0.130536 0.086963 S\n0.832378 0.369464 0.913037 S\n0.667622 0.869464 0.586963 S\n0.100344 0.117718 0.750000 S\n0.399656 0.617718 0.750000 S\n0.899656 0.882282 0.250000 S\n0.600344 0.382282 0.250000 S\n0.788009 0.401220 0.510064 O\n0.711991 0.901220 0.989936 O\n0.211991 0.598780 0.010064 O\n0.288009 0.098780 0.489936 O\n0.211991 0.598780 0.489936 O\n0.288009 0.098780 0.010064 O\n0.788009 0.401220 0.989936 O\n0.711991 0.901220 0.510064 O\n0.852275 0.442744 0.638709 O\n0.647725 0.942744 0.861291 O\n0.147725 0.557256 0.138709 O\n0.352275 0.057256 0.361291 O\n0.147725 0.557256 0.361291 O\n0.352275 0.057256 0.138709 O\n0.852275 0.442744 0.861291 O\n0.647725 0.942744 0.638709 O\n0.629108 0.310657 0.607753 O\n0.870892 0.810657 0.892247 O\n0.370892 0.689343 0.107753 O\n0.129108 0.189343 0.392247 O\n0.370892 0.689343 0.392247 O\n0.129108 0.189343 0.107753 O\n0.629108 0.310657 0.892247 O\n0.870892 0.810657 0.607753 O\n0.082786 0.324569 0.589628 O\n0.417214 0.824569 0.910372 O\n0.917214 0.675431 0.089628 O\n0.582786 0.175431 0.410372 O\n0.917214 0.675431 0.410372 O\n0.582786 0.175431 0.089628 O\n0.082786 0.324569 0.910372 O\n0.417214 0.824569 0.589628 O\n0.265234 0.047206 0.750000 O\n0.234766 0.547206 0.750000 O\n0.734766 0.952794 0.250000 O\n0.765234 0.452794 0.250000 O\n0.110614 0.165537 0.679565 O\n0.389386 0.665537 0.820435 O\n0.889386 0.834463 0.179565 O\n0.610614 0.334463 0.320435 O\n0.889386 0.834463 0.320435 O\n0.610614 0.334463 0.179565 O\n0.110614 0.165537 0.820435 O\n0.389386 0.665537 0.679565 O\n0.805051 0.084303 0.750000 O\n0.694949 0.584303 0.750000 O\n0.194949 0.915697 0.250000 O\n0.305051 0.415697 0.250000 O\n0.531620 0.352861 0.750000 O\n0.968380 0.852861 0.750000 O\n0.468380 0.647139 0.250000 O\n0.031620 0.147139 0.250000 O\n0.966415 0.932335 0.750000 O\n0.533585 0.432335 0.750000 O\n0.033585 0.067665 0.250000 O\n0.466415 0.567665 0.250000 O\n",
"nsites": 96,
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"elements": [
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"density_atomic": 0.06290040047591122,
"volume": 1526.2223972129532,
"volume_molar": 9.57408969487608,
"formula_full": "Rb8 Cu12 H8 S12 O56",
"formula_reduced": "Rb2Cu3H2S3O14",
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"spacegroup": 62
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{
"id": "mp-1522715",
"created_at": "2022-09-04T14:41:55.567005Z",
"structure_string": "Ba4 Na4 Tb4 Bi4 O24\n1.0\n8.680044 0.000000 0.000000\n0.000000 8.607387 0.000000\n0.000000 0.000000 8.680561\nBa Na Tb Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992301 0.218168 0.280273 O\n0.007699 0.781832 0.280273 O\n0.007699 0.218168 0.719727 O\n0.992301 0.781832 0.719727 O\n0.273361 0.993345 0.214171 O\n0.273361 0.006655 0.785829 O\n0.726639 0.006655 0.214171 O\n0.726639 0.993345 0.785829 O\n0.214885 0.271306 0.992329 O\n0.785115 0.271306 0.007671 O\n0.214885 0.728694 0.007671 O\n0.785115 0.728694 0.992329 O\n0.507699 0.281832 0.219727 O\n0.492301 0.718168 0.219727 O\n0.492301 0.281832 0.780273 O\n0.507699 0.718168 0.780273 O\n0.226639 0.506655 0.285829 O\n0.226639 0.493345 0.714171 O\n0.773361 0.493345 0.285829 O\n0.773361 0.506655 0.714171 O\n0.285115 0.228694 0.507671 O\n0.714885 0.228694 0.492329 O\n0.285115 0.771306 0.492329 O\n0.714885 0.771306 0.507671 O\n",
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"formula_full": "Ba4 Na4 Tb4 Bi4 O24",
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{
"id": "mp-1208049",
"created_at": "2022-09-04T14:41:55.566960Z",
"structure_string": "Tm16 Mg4 Rh4\n1.0\n0.000000 6.775884 6.775884\n6.775884 0.000000 6.775884\n6.775884 6.775884 0.000000\nTm Mg Rh\n16 4 4\ndirect\n0.597079 0.597079 0.597079 Tm\n0.597079 0.597079 0.208763 Tm\n0.597079 0.208763 0.597079 Tm\n0.208763 0.597079 0.597079 Tm\n0.062948 0.437052 0.437052 Tm\n0.437052 0.062948 0.062948 Tm\n0.437052 0.062948 0.437052 Tm\n0.062948 0.437052 0.062948 Tm\n0.437052 0.437052 0.062948 Tm\n0.062948 0.062948 0.437052 Tm\n0.186025 0.813975 0.813975 Tm\n0.813975 0.186025 0.186025 Tm\n0.813975 0.186025 0.813975 Tm\n0.186025 0.813975 0.186025 Tm\n0.813975 0.813975 0.186025 Tm\n0.186025 0.186025 0.813975 Tm\n0.829779 0.829779 0.829779 Mg\n0.829779 0.829779 0.510663 Mg\n0.829779 0.510663 0.829779 Mg\n0.510663 0.829779 0.829779 Mg\n0.391936 0.391936 0.391936 Rh\n0.391936 0.391936 0.824191 Rh\n0.391936 0.824191 0.391936 Rh\n0.824191 0.391936 0.391936 Rh\n",
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{
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"structure_string": "Si1 Os1\n1.0\n2.959287 0.000000 0.000000\n0.000000 2.959287 0.000000\n0.000000 0.000000 2.959287\nSi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "Y11 In9 Ni4\n1.0\n7.220813 -10.938528 0.000000\n7.220813 10.938528 0.000000\n0.000000 0.000000 3.651686\nY In Ni\n11 9 4\ndirect\n0.077999 0.415500 0.000000 Y\n0.922001 0.584500 0.000000 Y\n0.415500 0.077999 0.000000 Y\n0.584500 0.922001 0.000000 Y\n0.625227 0.374773 0.000000 Y\n0.374773 0.625227 0.000000 Y\n0.838264 0.161736 0.000000 Y\n0.161736 0.838264 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.312000 0.312000 0.000000 Y\n0.688000 0.688000 0.000000 Y\n0.840864 0.369363 0.500000 In\n0.159136 0.630637 0.500000 In\n0.369363 0.840864 0.500000 In\n0.630637 0.159136 0.500000 In\n0.076486 0.218881 0.500000 In\n0.923514 0.781119 0.500000 In\n0.218881 0.076486 0.500000 In\n0.781119 0.923514 0.500000 In\n0.500000 0.500000 0.500000 In\n0.246943 0.448918 0.500000 Ni\n0.753057 0.551082 0.500000 Ni\n0.448918 0.246943 0.500000 Ni\n0.551082 0.753057 0.500000 Ni\n",
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"formula_full": "Y11 In9 Ni4",
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{
"id": "mp-1175710",
"created_at": "2022-09-04T14:41:55.577709Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.177196 0.000000 0.000000\n-0.645910 6.402438 0.000000\n-0.632994 -1.080706 8.470323\nLi Mn Co O\n9 2 5 16\ndirect\n0.750438 0.558344 0.942593 Li\n0.250266 0.933844 0.566062 Li\n0.747219 0.313666 0.184737 Li\n0.253531 0.433103 0.056272 Li\n0.746498 0.824549 0.690838 Li\n0.250691 0.184587 0.310040 Li\n0.256549 0.694051 0.814371 Li\n0.744482 0.058670 0.434604 Li\n0.500200 0.125461 0.875057 Li\n0.999689 0.001475 0.998826 Mn\n0.500109 0.373511 0.627248 Mn\n0.999653 0.749856 0.249966 Co\n0.998848 0.499799 0.499940 Co\n0.499858 0.876291 0.122644 Co\n0.000513 0.248844 0.750761 Co\n0.500148 0.626259 0.373868 Co\n0.106456 0.727569 0.039722 O\n0.647691 0.120480 0.658299 O\n0.105758 0.482158 0.293146 O\n0.606928 0.604824 0.163863 O\n0.105723 0.978254 0.789340 O\n0.605617 0.358031 0.410661 O\n0.645963 0.856501 0.926457 O\n0.145237 0.240684 0.543915 O\n0.353188 0.397517 0.824593 O\n0.893578 0.768359 0.460172 O\n0.353566 0.127605 0.088054 O\n0.893401 0.268250 0.962653 O\n0.395777 0.648429 0.587165 O\n0.892715 0.019329 0.215259 O\n0.858412 0.509520 0.703082 O\n0.391298 0.890180 0.335791 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
"id": "mp-1215465",
"created_at": "2022-09-04T14:41:55.583457Z",
"structure_string": "Zr2 Si1 Te2 As1\n1.0\n3.752524 0.000000 0.000000\n0.000000 3.752524 0.000000\n0.000000 0.000000 10.277062\nZr Si Te As\n2 1 2 1\ndirect\n0.500000 0.000000 0.796177 Zr\n0.000000 0.500000 0.203823 Zr\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.339521 Te\n0.000000 0.500000 0.660479 Te\n0.000000 0.000000 0.000000 As\n",
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{
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{
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{
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{
"id": "mp-1235569",
"created_at": "2022-09-04T14:41:53.810676Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n4.969811 0.589220 -1.881358\n-0.107602 5.640438 -2.254264\n-0.047374 0.048367 8.367306\nK Li H Se O\n2 1 2 2 6\ndirect\n0.245416 0.596357 0.118830 K\n0.679506 0.382400 0.786027 K\n0.782358 0.791590 0.323686 Li\n0.204735 0.073478 0.049854 H\n0.661660 0.914928 0.055925 H\n0.055651 0.245181 0.375642 Se\n0.154624 0.840235 0.735374 Se\n0.144038 0.110548 0.931827 O\n0.699662 0.764249 0.079771 O\n0.879609 0.444214 0.264678 O\n0.058774 0.627947 0.779545 O\n0.284447 0.077581 0.265463 O\n0.887019 0.938582 0.585229 O\n",
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}