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{
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"results": [
{
"id": "mp-772320",
"created_at": "2022-09-04T14:47:59.814115Z",
"structure_string": "Li16 Co8 Si8 O32\n1.0\n5.234913 0.000000 0.000000\n0.000000 10.255652 0.000000\n0.000000 0.000000 13.395672\nLi Co Si O\n16 8 8 32\ndirect\n0.999999 0.986515 0.553251 Li\n0.500448 0.968905 0.946870 Li\n0.406765 0.213582 0.299222 Li\n0.886666 0.206819 0.205405 Li\n0.886666 0.293181 0.705405 Li\n0.406765 0.286418 0.799222 Li\n0.500448 0.531095 0.446870 Li\n0.999999 0.513485 0.053251 Li\n0.499552 0.468905 0.946870 Li\n0.000001 0.486515 0.553251 Li\n0.593235 0.713582 0.299222 Li\n0.113334 0.706819 0.205405 Li\n0.113334 0.793181 0.705405 Li\n0.593235 0.786418 0.799222 Li\n0.499552 0.031095 0.446870 Li\n0.000001 0.013485 0.053251 Li\n0.999605 0.031390 0.812180 Co\n0.508879 0.213521 0.062342 Co\n0.508879 0.286479 0.562342 Co\n0.999605 0.468610 0.312180 Co\n0.000395 0.531390 0.812180 Co\n0.491121 0.713521 0.062342 Co\n0.491121 0.786479 0.562342 Co\n0.000395 0.968610 0.312180 Co\n0.507092 0.030188 0.691355 Si\n0.003822 0.217632 0.433721 Si\n0.003822 0.282368 0.933721 Si\n0.507092 0.469812 0.191355 Si\n0.492908 0.530188 0.691355 Si\n0.996178 0.717632 0.433721 Si\n0.996178 0.782368 0.933721 Si\n0.492908 0.969812 0.191355 Si\n0.365020 0.023176 0.297326 O\n0.798255 0.013414 0.189817 O\n0.849633 0.079952 0.419226 O\n0.361629 0.039557 0.093126 O\n0.565390 0.189506 0.689950 O\n0.066243 0.220435 0.821478 O\n0.276202 0.177778 0.486184 O\n0.840564 0.174948 0.998627 O\n0.840564 0.325052 0.498627 O\n0.276202 0.322222 0.986184 O\n0.066243 0.279565 0.321478 O\n0.565390 0.310494 0.189950 O\n0.361629 0.460443 0.593126 O\n0.849633 0.420048 0.919226 O\n0.798255 0.486586 0.689817 O\n0.365020 0.476824 0.797326 O\n0.634980 0.523176 0.297326 O\n0.201745 0.513414 0.189817 O\n0.150367 0.579952 0.419226 O\n0.638371 0.539557 0.093126 O\n0.434610 0.689506 0.689950 O\n0.933757 0.720435 0.821478 O\n0.723798 0.677778 0.486184 O\n0.159436 0.674948 0.998627 O\n0.159436 0.825052 0.498627 O\n0.723798 0.822222 0.986184 O\n0.933757 0.779565 0.321478 O\n0.434610 0.810494 0.189950 O\n0.638371 0.960443 0.593126 O\n0.150367 0.920048 0.919226 O\n0.201745 0.986586 0.689817 O\n0.634980 0.976824 0.797326 O\n",
"nsites": 64,
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"elements": [
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"O"
],
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"density_atomic": 0.08899031104222743,
"volume": 719.1794168427043,
"volume_molar": 6.767186999877313,
"formula_full": "Li16 Co8 Si8 O32",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -446.19659123,
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"updated_at": "2021-11-28T01:38:30.720000Z",
"spacegroup": 29
},
{
"id": "mp-1075496",
"created_at": "2022-09-04T14:47:59.817561Z",
"structure_string": "Mg10 Si12\n1.0\n2.099816 15.009582 0.000000\n-2.099816 15.009582 0.000000\n0.000000 0.878763 6.421496\nMg Si\n10 12\ndirect\n0.738598 0.738598 0.983057 Mg\n0.945025 0.945025 0.524467 Mg\n0.519622 0.519622 0.648276 Mg\n0.370426 0.370426 0.398488 Mg\n0.786219 0.786219 0.461603 Mg\n0.113184 0.113184 0.576998 Mg\n0.484695 0.484695 0.181774 Mg\n0.404866 0.404866 0.863736 Mg\n0.217386 0.217386 0.508144 Mg\n0.155414 0.155414 0.048580 Mg\n0.668082 0.668082 0.733343 Si\n0.668817 0.668817 0.344469 Si\n0.916028 0.916028 0.165767 Si\n0.974615 0.974615 0.881304 Si\n0.591397 0.591397 0.906568 Si\n0.291307 0.291307 0.144961 Si\n0.852507 0.852507 0.703702 Si\n0.042518 0.042518 0.341816 Si\n0.590428 0.590428 0.280846 Si\n0.293669 0.293669 0.758518 Si\n0.840571 0.840571 0.077823 Si\n0.050010 0.050010 0.962130 Si\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.379676623764814,
"density_atomic": 0.054350886284556636,
"volume": 404.7772079523774,
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"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
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"spacegroup": 8
},
{
"id": "mp-1097127",
"created_at": "2022-09-04T14:47:59.818987Z",
"structure_string": "Na1 Bi1 Pd2\n1.0\n-5.323317 5.416255 8.569197\n5.323317 -5.416255 8.569197\n5.323317 5.416255 -8.569197\nNa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Bi\n0.000000 0.264810 0.264810 Pd\n0.000000 0.735190 0.735190 Pd\n",
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"elements": [
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"volume": 988.283512850659,
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"formula_full": "Na1 Bi1 Pd2",
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"updated_at": "2021-11-28T01:38:26.432000Z",
"spacegroup": 71
},
{
"id": "mp-759168",
"created_at": "2022-09-04T14:47:59.822698Z",
"structure_string": "Li6 V2 O4 F4\n1.0\n5.970592 0.000000 0.000000\n0.000000 5.010062 0.000000\n0.000000 1.561105 4.873764\nLi V O F\n6 2 4 4\ndirect\n0.114687 0.250000 0.500000 Li\n0.641396 0.250000 0.500000 Li\n0.375080 0.250000 0.000000 Li\n0.358604 0.750000 0.500000 Li\n0.885313 0.750000 0.500000 Li\n0.624920 0.750000 0.000000 Li\n0.901643 0.250000 0.000000 V\n0.098357 0.750000 0.000000 V\n0.870780 0.003604 0.762857 O\n0.870780 0.496396 0.237143 O\n0.129220 0.503604 0.762857 O\n0.129220 0.996396 0.237143 O\n0.628676 0.007335 0.244962 F\n0.371324 0.507335 0.244962 F\n0.628676 0.492665 0.755038 F\n0.371324 0.992665 0.755038 F\n",
"nsites": 16,
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"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.229298068840864,
"density_atomic": 0.1097475899370596,
"volume": 145.78907845881648,
"volume_molar": 5.48726469843548,
"formula_full": "Li6 V2 O4 F4",
"formula_reduced": "Li3V(OF)2",
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"energy": -100.59747685,
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"updated_at": "2021-11-28T01:38:27.360000Z",
"spacegroup": 13
},
{
"id": "mp-720406",
"created_at": "2022-09-04T14:47:59.807146Z",
"structure_string": "Na4 B10 H10 O24\n1.0\n6.629415 0.000000 0.000000\n2.659620 8.209057 0.000000\n2.194250 2.470567 9.063852\nNa B H O\n4 10 10 24\ndirect\n0.960768 0.903606 0.365895 Na\n0.039232 0.096394 0.634105 Na\n0.433693 0.585927 0.155390 Na\n0.566307 0.414073 0.844610 Na\n0.854197 0.334295 0.161000 B\n0.145803 0.665705 0.839000 B\n0.181477 0.256415 0.285322 B\n0.818523 0.743585 0.714678 B\n0.846357 0.462778 0.359719 B\n0.153643 0.537222 0.640281 B\n0.374181 0.953310 0.371266 B\n0.625819 0.046690 0.628734 B\n0.581853 0.157866 0.263236 B\n0.418147 0.842134 0.736764 B\n0.841035 0.512601 0.957814 H\n0.158965 0.487399 0.042186 H\n0.814350 0.583621 0.515197 H\n0.185650 0.416379 0.484803 H\n0.495909 0.703379 0.423761 H\n0.504091 0.296621 0.576239 H\n0.718662 0.803372 0.976385 H\n0.281338 0.196628 0.023615 H\n0.078900 0.753279 0.069711 H\n0.921100 0.246721 0.930289 H\n0.785692 0.176973 0.224114 O\n0.214308 0.823027 0.775886 O\n0.790589 0.409292 0.012338 O\n0.209411 0.590708 0.987662 O\n0.088195 0.301577 0.150004 O\n0.911805 0.698423 0.849996 O\n0.747329 0.455416 0.253296 O\n0.252671 0.544584 0.746704 O\n0.733818 0.572265 0.444737 O\n0.266182 0.427735 0.555263 O\n0.051103 0.366327 0.384682 O\n0.948897 0.633673 0.615318 O\n0.186676 0.078947 0.368978 O\n0.813324 0.921053 0.631022 O\n0.398367 0.285484 0.245455 O\n0.601633 0.714516 0.754545 O\n0.355309 0.791472 0.414987 O\n0.644691 0.208528 0.585013 O\n0.574219 0.988776 0.330853 O\n0.425781 0.011224 0.669147 O\n0.589392 0.828918 0.053600 O\n0.410608 0.171082 0.946400 O\n0.027992 0.812053 0.151587 O\n0.972008 0.187947 0.848413 O\n",
"nsites": 48,
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"elements": [
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"B",
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"O"
],
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"density": 2.0001026101227857,
"density_atomic": 0.0973105560157864,
"volume": 493.2661158796904,
"volume_molar": 6.188579129095765,
"formula_full": "Na4 B10 H10 O24",
"formula_reduced": "Na2B5H5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -324.68447623,
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"spacegroup": 2
},
{
"id": "mp-733763",
"created_at": "2022-09-04T14:47:59.807838Z",
"structure_string": "Cr4 Hg4 H4 O18\n1.0\n2.665134 6.028570 0.000000\n-2.665134 6.028570 0.000000\n0.000000 4.373505 12.788110\nCr Hg H O\n4 4 4 18\ndirect\n0.160868 0.541244 0.598271 Cr\n0.458756 0.839132 0.901729 Cr\n0.839132 0.458756 0.401729 Cr\n0.541244 0.160868 0.098271 Cr\n0.345835 0.901918 0.624647 Hg\n0.098082 0.654165 0.875353 Hg\n0.654165 0.098082 0.375353 Hg\n0.901918 0.345835 0.124647 Hg\n0.776455 0.294155 0.788658 H\n0.705845 0.223545 0.711342 H\n0.223545 0.705845 0.211342 H\n0.294155 0.776455 0.288658 H\n0.310980 0.590113 0.665206 O\n0.409887 0.689020 0.834794 O\n0.689020 0.409887 0.334794 O\n0.590113 0.310980 0.165206 O\n0.878317 0.612172 0.667751 O\n0.387828 0.121683 0.832249 O\n0.121683 0.387828 0.332249 O\n0.612172 0.878317 0.167751 O\n0.395720 0.201759 0.573487 O\n0.798241 0.604280 0.926513 O\n0.604280 0.798241 0.426513 O\n0.201759 0.395720 0.073487 O\n0.091869 0.738167 0.486652 O\n0.261833 0.908131 0.013348 O\n0.908131 0.261833 0.513348 O\n0.738167 0.091869 0.986652 O\n0.854626 0.145374 0.750000 O\n0.145374 0.854626 0.250000 O\n",
"nsites": 30,
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"elements": [
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"Hg",
"H",
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],
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"volume": 410.93176808976017,
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"formula_full": "Cr4 Hg4 H4 O18",
"formula_reduced": "Cr2Hg2H2O9",
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"energy": -180.86564345,
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},
{
"id": "mp-1191302",
"created_at": "2022-09-04T14:47:59.839658Z",
"structure_string": "Li6 Cu1 B4 O10\n1.0\n-3.365293 0.000000 0.000000\n0.445804 6.753260 0.000000\n-0.065318 -1.818087 -9.187840\nLi Cu B O\n6 1 4 10\ndirect\n0.571422 0.791093 0.469979 Li\n0.428578 0.208907 0.530021 Li\n0.029701 0.519361 0.352743 Li\n0.970299 0.480639 0.647257 Li\n0.485331 0.347145 0.123881 Li\n0.514669 0.652855 0.876119 Li\n0.000000 0.000000 0.000000 Cu\n0.615519 0.781081 0.210182 B\n0.384481 0.218919 0.789818 B\n0.876416 0.147401 0.313821 B\n0.123584 0.852599 0.686179 B\n0.645958 0.793519 0.068723 O\n0.354042 0.206481 0.931277 O\n0.975310 0.201511 0.184281 O\n0.024690 0.798489 0.815719 O\n0.680392 0.958666 0.323353 O\n0.319608 0.041334 0.676647 O\n0.529638 0.609033 0.264942 O\n0.470362 0.390967 0.735058 O\n0.942468 0.279014 0.443752 O\n0.057532 0.720986 0.556248 O\n",
"nsites": 21,
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"elements": [
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"B",
"O"
],
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"volume": 208.809270512617,
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"formula_full": "Li6 Cu1 B4 O10",
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"spacegroup": 2
},
{
"id": "mp-560175",
"created_at": "2022-09-04T14:47:59.841843Z",
"structure_string": "Na8 Th2 Mo8 O32\n1.0\n-5.780337 5.780337 6.069915\n5.780337 -5.780337 6.069915\n5.780337 5.780337 -6.069915\nNa Th Mo O\n8 2 8 32\ndirect\n0.245704 0.086554 0.395966 Na\n0.599738 0.495704 0.659150 Na\n0.059412 0.400262 0.895966 Na\n0.836554 0.940588 0.340850 Na\n0.504296 0.163446 0.104034 Na\n0.150262 0.754296 0.840850 Na\n0.690588 0.849738 0.604034 Na\n0.913446 0.309412 0.159150 Na\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.814434 0.584596 0.412214 Mo\n0.577618 0.847780 0.912214 Mo\n0.172382 0.402220 0.587786 Mo\n0.597780 0.185566 0.770161 Mo\n0.935566 0.665404 0.087786 Mo\n0.415404 0.827618 0.229839 Mo\n0.334595 0.422382 0.270161 Mo\n0.152220 0.064434 0.729839 Mo\n0.215920 0.018542 0.885157 O\n0.069088 0.190948 0.464791 O\n0.598521 0.771133 0.052124 O\n0.009686 0.598345 0.232256 O\n0.348345 0.616088 0.088659 O\n0.521133 0.969009 0.672612 O\n0.768542 0.383384 0.302622 O\n0.133384 0.330763 0.114843 O\n0.023843 0.645703 0.964791 O\n0.151479 0.478867 0.447876 O\n0.228867 0.280991 0.827388 O\n0.719009 0.546397 0.947876 O\n0.030991 0.703603 0.552124 O\n0.453603 0.401479 0.172612 O\n0.981458 0.866616 0.197378 O\n0.669237 0.784080 0.802622 O\n0.527429 0.259686 0.911341 O\n0.680912 0.059052 0.035209 O\n0.809052 0.273843 0.878140 O\n0.534080 0.231458 0.614843 O\n0.726157 0.604297 0.535209 O\n0.080763 0.465920 0.697378 O\n0.401655 0.633912 0.411341 O\n0.940948 0.976157 0.621860 O\n0.222571 0.990314 0.588659 O\n0.296397 0.848521 0.327388 O\n0.354297 0.319088 0.378140 O\n0.395703 0.930912 0.121860 O\n0.366088 0.777429 0.767744 O\n0.383912 0.472571 0.732256 O\n0.740314 0.651655 0.267744 O\n0.616616 0.919237 0.385157 O\n",
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"volume": 811.2391826584719,
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"formula_full": "Na8 Th2 Mo8 O32",
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