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{
"id": "jvasp-29310",
"created_at": "2022-09-04T14:38:01.799865Z",
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"structure_string": "Ce2 P6 H16 O14\n1.0\n7.074609 0.022088 -0.989754\n-2.449452 6.984078 -2.724684\n0.012596 0.081718 8.776429\nCe P H O\n2 6 16 14\ndirect\n0.346347 0.185831 0.128651 Ce\n0.653654 0.814170 0.871350 Ce\n0.850618 0.189939 0.274139 P\n0.149383 0.810062 0.725862 P\n0.033168 0.787061 0.205811 P\n0.966834 0.212940 0.794190 P\n0.466009 0.309818 0.591820 P\n0.533992 0.690183 0.408182 P\n0.848115 0.146159 0.418045 H\n0.151886 0.853842 0.581957 H\n0.047643 0.621988 0.231585 H\n0.952358 0.378013 0.768417 H\n0.044728 0.917264 0.367893 H\n0.955273 0.082737 0.632109 H\n0.727344 0.669443 0.414317 H\n0.553025 0.856288 0.372965 H\n0.272658 0.330558 0.585684 H\n0.135582 0.615281 0.668385 H\n0.685014 0.287880 0.967498 H\n0.314987 0.712121 0.032504 H\n0.446976 0.143713 0.627037 H\n0.864419 0.384720 0.331616 H\n0.327960 0.500820 0.949382 H\n0.672041 0.499181 0.050620 H\n0.627326 0.368827 0.049478 O\n0.495134 0.729792 0.581206 O\n0.381798 0.521832 0.263419 O\n0.618203 0.478169 0.736583 O\n0.172368 0.262742 0.906072 O\n0.827633 0.737259 0.093929 O\n0.782692 0.133514 0.849900 O\n0.217310 0.866487 0.150101 O\n0.347655 0.931937 0.855406 O\n0.652346 0.068064 0.144596 O\n0.964877 0.835826 0.785490 O\n0.035124 0.164175 0.214512 O\n0.372676 0.631174 0.950524 O\n0.504868 0.270209 0.418796 O\n",
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{
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"updated_at": "2022-09-04T14:37:51.378564Z",
"structure_string": "Na14 Al6 O16\n1.0\n5.892253 -0.011433 0.039736\n2.589253 7.006775 2.817843\n0.019200 -0.009270 11.345592\nNa Al O\n14 6 16\ndirect\n0.149509 0.101311 0.668081 Na\n0.276135 0.480858 0.450014 Na\n0.550009 0.693026 0.238884 Na\n0.374559 0.911853 0.443700 Na\n0.625439 0.088148 0.556300 Na\n0.524194 0.710078 0.728442 Na\n0.723864 0.519143 0.549986 Na\n0.850490 0.898690 0.331919 Na\n0.740246 0.491750 0.055122 Na\n0.340322 0.902571 0.950497 Na\n0.259753 0.508251 0.944877 Na\n0.475804 0.289923 0.271557 Na\n0.449989 0.306975 0.761116 Na\n0.659677 0.097430 0.049503 Na\n0.065732 0.700377 0.137639 Al\n0.934267 0.299624 0.862361 Al\n0.957341 0.325396 0.355351 Al\n0.833772 0.902214 0.842573 Al\n0.166227 0.097787 0.157426 Al\n0.042658 0.674605 0.644648 Al\n0.465203 0.010935 0.230540 O\n0.160247 0.234209 0.992061 O\n0.534795 0.989066 0.769460 O\n0.221121 0.198186 0.464659 O\n0.066615 0.908000 0.162326 O\n0.024817 0.437801 0.722591 O\n0.642005 0.406995 0.894250 O\n0.778878 0.801815 0.535341 O\n0.933383 0.092001 0.837673 O\n0.323070 0.633624 0.581584 O\n0.051127 0.777721 0.763005 O\n0.975181 0.562200 0.277409 O\n0.357993 0.593006 0.105749 O\n0.839752 0.765792 0.007938 O\n0.948871 0.222280 0.236994 O\n0.676928 0.366377 0.418416 O\n",
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{
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"updated_at": "2022-09-04T14:37:51.714336Z",
"structure_string": "Na4 Te8 O18\n1.0\n6.961583 0.027061 0.016237\n2.675046 6.315444 2.648713\n0.006162 0.097505 10.540926\nNa Te O\n4 8 18\ndirect\n0.477402 0.773601 0.489360 Na\n0.522599 0.226398 0.510640 Na\n0.975995 0.818553 0.635693 Na\n0.024006 0.181445 0.364307 Na\n0.004117 0.724770 0.984374 Te\n0.460753 0.354562 0.791828 Te\n0.539247 0.645436 0.208173 Te\n0.508218 0.796356 0.802009 Te\n0.491782 0.203642 0.197992 Te\n0.028178 0.674364 0.329191 Te\n0.971823 0.325635 0.670810 Te\n0.995883 0.275229 0.015627 Te\n0.288965 0.306159 0.670010 O\n0.711035 0.693840 0.329991 O\n0.665912 0.340957 0.298685 O\n0.039860 0.142922 0.867302 O\n0.333747 0.511983 0.103878 O\n0.635164 0.854215 0.644807 O\n0.364836 0.145783 0.355194 O\n0.057467 0.503345 0.880045 O\n0.942533 0.496653 0.119956 O\n0.337689 0.669882 0.334280 O\n0.662312 0.330117 0.665721 O\n0.698238 0.872551 0.905354 O\n0.301762 0.127448 0.094647 O\n0.044261 0.119176 0.598873 O\n0.955739 0.880822 0.401127 O\n0.960141 0.857076 0.132699 O\n0.666253 0.488016 0.896122 O\n0.334089 0.659041 0.701315 O\n",
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{
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"updated_at": "2022-09-04T14:37:51.958485Z",
"structure_string": "K1 Rb2 V1 F6\n1.0\n6.903968 0.483868 -1.168346\n-3.457756 4.188538 1.843434\n-0.699522 -1.750680 5.262509\nK Rb V F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.726481 0.277881 0.228282 Rb\n0.273519 0.722119 0.771716 Rb\n0.000000 0.000000 0.000000 V\n0.726053 0.791267 0.156816 F\n0.784219 0.054775 0.712154 F\n0.215781 0.945226 0.287844 F\n0.123543 0.361914 0.159001 F\n0.273946 0.208733 0.843182 F\n0.876457 0.638086 0.840997 F\n",
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{
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"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
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{
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"created_at": "2022-09-04T14:37:52.623163Z",
"updated_at": "2022-09-04T14:37:52.623180Z",
"structure_string": "Dy4 Te10 O26\n1.0\n6.962750 0.001819 0.370863\n2.215757 8.345491 0.122720\n-0.018841 -0.018927 10.556959\nDy Te O\n4 10 26\ndirect\n0.554205 0.529265 0.179642 Dy\n0.997864 0.735051 0.237839 Dy\n0.002137 0.264949 0.762161 Dy\n0.445796 0.470735 0.820357 Dy\n0.874854 0.654534 0.892889 Te\n0.156611 0.803271 0.633009 Te\n0.125147 0.345465 0.107111 Te\n0.566998 0.091344 0.695012 Te\n0.843390 0.196729 0.366991 Te\n0.709363 0.117280 0.029320 Te\n0.726273 0.606708 0.520752 Te\n0.290638 0.882719 0.970680 Te\n0.273728 0.393292 0.479248 Te\n0.433002 0.908656 0.304988 Te\n0.344017 0.990623 0.124865 O\n0.533611 0.325581 0.002929 O\n0.538233 0.810261 0.487048 O\n0.044585 0.349061 0.562320 O\n0.933711 0.732378 0.718045 O\n0.940226 0.981963 0.314399 O\n0.955416 0.650939 0.437680 O\n0.671456 0.256768 0.229836 O\n0.941053 0.179663 0.966128 O\n0.338335 0.512079 0.614655 O\n0.238800 0.494283 0.186746 O\n0.059775 0.018037 0.685600 O\n0.328545 0.743231 0.770164 O\n0.466390 0.674419 0.997071 O\n0.687579 0.262879 0.710221 O\n0.058948 0.820337 0.033872 O\n0.667379 0.779847 0.223337 O\n0.761200 0.505717 0.813254 O\n0.312422 0.737121 0.289779 O\n0.661666 0.487920 0.385345 O\n0.461767 0.189738 0.512952 O\n0.879172 0.512194 0.108169 O\n0.120828 0.487805 0.891831 O\n0.655983 0.009377 0.875135 O\n0.066290 0.267621 0.281954 O\n0.332622 0.220152 0.776662 O\n",
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{
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"created_at": "2022-09-04T14:37:53.093506Z",
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"structure_string": "Ru2 C8 O8 F12\n1.0\n5.221149 0.032605 0.675638\n0.479267 8.743712 0.750646\n0.408832 -0.374453 8.245902\nRu C O F\n2 8 8 12\ndirect\n0.322336 0.536095 0.440133 Ru\n0.677664 0.463905 0.559868 Ru\n0.978068 0.702620 0.098762 C\n0.021932 0.297380 0.901238 C\n0.799906 0.624392 0.241867 C\n0.200095 0.375608 0.758134 C\n0.537419 0.233415 0.361101 C\n0.462582 0.766585 0.638899 C\n0.458514 0.923994 0.715854 C\n0.541487 0.076005 0.284147 C\n0.561031 0.629280 0.241128 O\n0.291021 0.743971 0.554382 O\n0.708979 0.256028 0.445619 O\n0.088760 0.437133 0.643287 O\n0.357141 0.328232 0.331054 O\n0.911240 0.562867 0.356713 O\n0.438970 0.370719 0.758872 O\n0.642859 0.671767 0.668946 O\n0.846917 0.760627 -0.017502 F\n0.153084 0.239372 0.017503 F\n0.645617 0.084114 0.121966 F\n0.314372 0.031720 0.642918 F\n0.170702 0.602061 0.027142 F\n0.829298 0.397939 0.972858 F\n0.090485 0.815625 0.159808 F\n0.299658 0.029989 0.298732 F\n0.700343 0.970011 0.701269 F\n0.685628 0.968279 0.357083 F\n0.354383 0.915886 0.878035 F\n0.909515 0.184375 0.840193 F\n",
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{
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"created_at": "2022-09-04T14:37:53.597840Z",
"updated_at": "2022-09-04T14:37:53.597860Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n4.990931 -0.016429 -0.024323\n2.072783 4.540049 0.038018\n1.055500 0.917625 9.876412\nLi Mn Co O\n6 5 1 12\ndirect\n0.365353 0.044908 0.764269 Li\n0.032785 0.713963 0.764873 Li\n0.271359 0.649152 0.237894 Li\n0.634645 0.955093 0.235731 Li\n0.728639 0.350849 0.762106 Li\n0.967213 0.286038 0.235127 Li\n0.330092 0.329889 -0.000071 Mn\n0.167737 0.664902 0.501899 Mn\n0.500000 0.000000 0.500000 Mn\n0.669907 0.670111 0.000072 Mn\n0.832261 0.335099 0.498101 Mn\n0.000000 0.000000 0.000000 Co\n0.186714 0.942414 0.613963 O\n0.051855 0.322450 0.882991 O\n0.147395 0.391852 0.387134 O\n0.283591 0.012566 0.116957 O\n0.716408 0.987435 0.883043 O\n0.521359 0.275508 0.612483 O\n0.346488 0.687205 0.898918 O\n0.653511 0.312796 0.101082 O\n0.478640 0.724494 0.387518 O\n0.813285 0.057587 0.386038 O\n0.852603 0.608149 0.612867 O\n0.948143 0.677551 0.117010 O\n",
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{
"id": "jvasp-25917",
"created_at": "2022-09-04T14:37:53.991110Z",
"updated_at": "2022-09-04T14:37:53.991126Z",
"structure_string": "Rb2 Al2 As4 O14\n1.0\n6.311594 -0.010199 -0.021061\n-1.402544 6.247458 0.037355\n-2.045475 -1.427185 7.904894\nRb Al As O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.620089 0.309935 0.773182 Al\n0.379912 0.690065 0.226818 Al\n0.171993 0.469500 0.812485 As\n0.828008 0.530499 0.187516 As\n0.506707 0.754631 0.662565 As\n0.493294 0.245369 0.337436 As\n0.216301 0.631538 0.651287 O\n0.672533 0.616924 0.780079 O\n0.783700 0.368461 0.348713 O\n0.538738 0.748903 0.465599 O\n0.666630 0.711783 0.182033 O\n0.427395 0.992920 0.224544 O\n0.572606 0.007080 0.775457 O\n0.097715 0.685137 0.273125 O\n0.327467 0.383075 0.219920 O\n0.222356 0.650741 0.989796 O\n0.461263 0.251097 0.534401 O\n0.333371 0.288216 0.817967 O\n0.902286 0.314862 0.726876 O\n0.777644 0.349258 0.010204 O\n",
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{
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"created_at": "2022-09-04T14:37:54.298763Z",
"updated_at": "2022-09-04T14:37:54.298782Z",
"structure_string": "Re4 Se8\n1.0\n6.677944 -0.003009 -0.001699\n-3.280362 5.955637 0.000263\n-1.763156 -1.229723 6.510137\nRe Se\n4 8\ndirect\n0.063956 0.315488 0.491765 Re\n0.936043 0.684513 0.508235 Re\n0.486989 0.290872 0.497068 Re\n0.513010 0.709129 0.502932 Re\n0.247635 0.381391 0.208213 Se\n0.752364 0.618610 0.791787 Se\n0.720731 0.338901 0.241258 Se\n0.279268 0.661099 0.758742 Se\n0.226255 0.109558 0.721784 Se\n0.773745 0.890443 0.278215 Se\n0.754623 0.136450 0.694912 Se\n0.245376 0.863550 0.305088 Se\n",
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},
{
"id": "jvasp-110320",
"created_at": "2022-09-04T14:37:54.801932Z",
"updated_at": "2022-09-04T14:37:54.801956Z",
"structure_string": "V2 Cu1 O6\n1.0\n3.567406 -0.028201 0.194451\n-1.495002 4.341403 -1.689319\n0.005431 -0.122542 6.467874\nV Cu O\n2 1 6\ndirect\n0.829270 0.623168 0.350200 V\n0.170731 0.376832 0.649799 V\n0.000000 0.000000 0.000000 Cu\n0.980493 0.950882 0.281621 O\n0.019508 0.049118 0.718378 O\n0.723619 0.315615 0.107941 O\n0.276382 0.684385 0.892058 O\n0.685757 0.384931 0.567926 O\n0.314244 0.615069 0.432073 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 4.376449507618792,
"density_atomic": 0.09073347683782408,
"volume": 99.19161387462856,
"volume_molar": 6.637176232939802,
"formula_full": "V2 Cu1 O6",
"formula_reduced": "V2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.762712205555556,
"spacegroup": 2
},
{
"id": "jvasp-40698",
"created_at": "2022-09-04T14:37:54.862976Z",
"updated_at": "2022-09-04T14:37:54.863002Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n5.044339 -0.009975 0.198739\n-2.161245 -4.561866 -0.127897\n-1.482593 0.414646 -10.199827\nLi Mn Co O\n6 5 1 12\ndirect\n0.718158 0.976039 0.214454 Li\n0.056461 0.653042 0.219616 Li\n0.626907 0.698836 0.786365 Li\n0.281842 0.023960 0.785547 Li\n0.373092 0.301163 0.213636 Li\n0.943539 0.346957 0.780385 Li\n0.669337 0.332876 0.000194 Mn\n0.831447 0.668402 0.500012 Mn\n0.500000 -0.000001 0.500000 Mn\n0.330662 0.667123 0.999806 Mn\n0.168553 0.331597 0.499989 Mn\n0.000000 0.000000 0.000000 Co\n0.759379 0.962599 0.396003 O\n0.996654 0.296519 0.116863 O\n0.863968 0.332777 0.592909 O\n0.666381 0.042872 0.884444 O\n0.333619 0.957127 0.115557 O\n0.427453 0.293385 0.395851 O\n0.660449 0.620487 0.116877 O\n0.339551 0.379512 0.883123 O\n0.572547 0.706614 0.604150 O\n0.240621 0.037401 0.603997 O\n0.136032 0.667222 0.407092 O\n0.003345 0.703481 0.883137 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.031028780507332,
"density_atomic": 0.10270561391752277,
"volume": 233.67758669232123,
"volume_molar": 5.863497164659422,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.9806062127873565,
"spacegroup": 2
}
]
}