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{
"id": "mp-759418",
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"structure_string": "Li6 V6 P16 O58\n1.0\n9.773975 0.000000 0.000000\n-4.883336 -8.475154 0.000000\n-0.187819 0.071398 -14.501608\nLi V P O\n6 6 16 58\ndirect\n0.290637 0.073402 0.052881 Li\n0.078782 0.299777 0.447303 Li\n0.230967 0.321202 0.939376 Li\n0.218230 0.925045 0.454324 Li\n0.698330 0.779010 0.445426 Li\n0.695845 0.917055 0.940178 Li\n0.568683 0.002569 0.749081 V\n0.435206 0.433542 0.746318 V\n0.999876 0.435592 0.245907 V\n0.002844 0.569584 0.756503 V\n0.569443 0.565826 0.250259 V\n0.432222 0.996291 0.252115 V\n0.322219 0.092425 0.840430 P\n0.314878 0.228006 0.337330 P\n0.775612 0.089217 0.333763 P\n0.669603 0.335469 0.634745 P\n0.659585 0.328148 0.134849 P\n0.916224 0.226675 0.836812 P\n0.084164 0.319045 0.659349 P\n0.773499 0.686710 0.836289 P\n0.231087 0.318605 0.159013 P\n0.918354 0.687239 0.337429 P\n0.082081 0.771640 0.156347 P\n0.339579 0.666719 0.869219 P\n0.334166 0.665337 0.366930 P\n0.225836 0.909202 0.665155 P\n0.681461 0.770740 0.659003 P\n0.679044 0.910570 0.157866 P\n0.233363 0.987429 0.576513 O\n0.339987 0.082530 0.338865 O\n0.217319 0.202169 0.240928 O\n0.239871 0.248620 0.069492 O\n0.481036 0.098529 0.821344 O\n0.343623 0.261047 0.835646 O\n0.510078 0.179852 0.176629 O\n0.620465 0.097209 0.319704 O\n0.736216 0.976224 0.065882 O\n0.744707 0.083487 0.838905 O\n0.520472 0.337158 0.677220 O\n0.662858 0.182252 0.678338 O\n0.475634 0.381746 0.323254 O\n0.663679 0.330401 0.532949 O\n0.650407 0.326300 0.033147 O\n0.619302 0.526257 0.820764 O\n0.811359 0.331924 0.177305 O\n0.661538 0.477098 0.180312 O\n0.919543 0.259106 0.336585 O\n0.982431 0.200480 0.740316 O\n0.013087 0.226368 0.916246 O\n0.015007 0.251738 0.567925 O\n0.909772 0.381230 0.826019 O\n0.816508 0.478046 0.680191 O\n0.746489 0.659437 0.337950 O\n0.085764 0.340514 0.169252 O\n0.909462 0.525726 0.319985 O\n0.222878 0.232060 0.416318 O\n0.745293 0.766541 0.567897 O\n0.093076 0.477995 0.681164 O\n0.914177 0.655361 0.835414 O\n0.798564 0.784420 0.740911 O\n0.252871 0.341410 0.673732 O\n0.185001 0.516729 0.324615 O\n0.091732 0.617758 0.177776 O\n0.004864 0.769476 0.068792 O\n0.011264 0.774256 0.419787 O\n0.993352 0.788574 0.245258 O\n0.081659 0.741957 0.674138 O\n0.336719 0.516121 0.828125 O\n0.382650 0.479773 0.179920 O\n0.188282 0.664550 0.825877 O\n0.333551 0.673574 0.468934 O\n0.337587 0.661172 0.971660 O\n0.519750 0.619164 0.678684 O\n0.332537 0.815569 0.323866 O\n0.484660 0.666151 0.328936 O\n0.253677 0.917579 0.166924 O\n0.211160 0.003755 0.751884 O\n0.250274 0.015102 0.928759 O\n0.379788 0.900498 0.683786 O\n0.487729 0.818652 0.830752 O\n0.659756 0.744934 0.175982 O\n0.518445 0.900619 0.182032 O\n0.770448 0.778172 0.916339 O\n0.658912 0.915653 0.673519 O\n0.767981 0.990527 0.413099 O\n0.799596 0.019903 0.237569 O\n",
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"spacegroup": 1
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{
"id": "mp-1187934",
"created_at": "2022-09-04T14:39:17.088805Z",
"structure_string": "Yb2 Rh1 Au1\n1.0\n0.000000 3.454810 3.454810\n3.454810 0.000000 3.454810\n3.454810 3.454810 0.000000\nYb Rh Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Yb2 Rh1 Au1",
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{
"id": "mp-1222096",
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"structure_string": "Mn2 Ga1 Co4 Ge1\n1.0\n6.718159 -2.025258 0.000000\n6.718159 2.025258 0.000000\n6.107625 0.000000 3.454309\nMn Ga Co Ge\n2 1 4 1\ndirect\n0.251045 0.251045 0.251045 Mn\n0.748955 0.748955 0.748955 Mn\n0.000000 0.000000 0.000000 Ga\n0.375899 0.375899 0.375899 Co\n0.874164 0.874164 0.874164 Co\n0.624101 0.624101 0.624101 Co\n0.125836 0.125836 0.125836 Co\n0.500000 0.500000 0.500000 Ge\n",
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},
{
"id": "mp-1345209",
"created_at": "2022-09-04T14:39:16.988387Z",
"structure_string": "Mg4 Fe8 O16\n1.0\n5.129874 0.000000 0.000000\n0.000000 5.895949 0.000000\n0.000000 0.000000 10.329059\nMg Fe O\n4 8 16\ndirect\n0.853412 0.000000 0.500000 Mg\n0.146588 0.500000 0.000000 Mg\n0.515957 0.000000 0.000000 Mg\n0.484043 0.500000 0.500000 Mg\n0.509461 0.500000 0.230265 Fe\n0.509461 0.500000 0.769735 Fe\n0.490539 0.000000 0.269735 Fe\n0.490539 0.000000 0.730265 Fe\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.750000 Fe\n0.000000 0.750000 0.250000 Fe\n0.000000 0.250000 0.750000 Fe\n0.855219 0.500000 0.141380 O\n0.855219 0.500000 0.858620 O\n0.144781 0.000000 0.358620 O\n0.144781 0.000000 0.641380 O\n0.197687 0.500000 0.348969 O\n0.197687 0.500000 0.651031 O\n0.802313 0.000000 0.151031 O\n0.802313 0.000000 0.848969 O\n0.667833 0.253867 0.365486 O\n0.667833 0.746133 0.634514 O\n0.332167 0.753867 0.134514 O\n0.332167 0.246133 0.865486 O\n0.332167 0.246133 0.134514 O\n0.332167 0.753867 0.865486 O\n0.667833 0.746133 0.365486 O\n0.667833 0.253867 0.634514 O\n",
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"elements": [
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],
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"density_atomic": 0.08962658662404939,
"volume": 312.4073007203735,
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"formula_full": "Mg4 Fe8 O16",
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{
"id": "mp-1220981",
"created_at": "2022-09-04T14:39:16.993123Z",
"structure_string": "Na10 H14 Se8 O36\n1.0\n6.725566 9.048592 0.000000\n-6.725566 9.048592 0.000000\n0.000000 1.399100 7.113461\nNa H Se O\n10 14 8 36\ndirect\n0.752881 0.433092 0.062416 Na\n0.433092 0.752881 0.562416 Na\n0.250338 0.557419 0.930725 Na\n0.557419 0.250338 0.430725 Na\n0.999743 0.000848 0.749959 Na\n0.000848 0.999743 0.249959 Na\n0.373963 0.034846 0.187639 Na\n0.034846 0.373963 0.687639 Na\n0.624834 0.972320 0.812662 Na\n0.972320 0.624834 0.312662 Na\n0.196264 0.922353 0.489139 H\n0.922353 0.196264 0.989139 H\n0.802970 0.077073 0.512118 H\n0.077073 0.802970 0.012118 H\n0.287999 0.300406 0.068262 H\n0.300406 0.287999 0.568262 H\n0.717720 0.696023 0.934093 H\n0.696023 0.717720 0.434093 H\n0.161170 0.796859 0.507841 H\n0.796859 0.161170 0.007841 H\n0.841066 0.200430 0.491676 H\n0.200430 0.841066 0.991676 H\n0.532821 0.484849 0.719194 H\n0.484849 0.532821 0.219194 H\n0.078691 0.300014 0.174257 Se\n0.300014 0.078691 0.674257 Se\n0.921943 0.699450 0.825461 Se\n0.699450 0.921943 0.325461 Se\n0.729288 0.468234 0.535393 Se\n0.468234 0.729288 0.035393 Se\n0.277429 0.527709 0.451804 Se\n0.527709 0.277429 0.951804 Se\n0.197627 0.359206 0.042856 O\n0.359206 0.197627 0.542856 O\n0.804019 0.637913 0.961333 O\n0.637913 0.804019 0.461333 O\n0.973071 0.330354 0.022570 O\n0.330354 0.973071 0.522570 O\n0.028550 0.669117 0.974734 O\n0.669117 0.028550 0.474734 O\n0.022731 0.382002 0.353669 O\n0.382002 0.022731 0.853669 O\n0.974265 0.617026 0.646568 O\n0.617026 0.974265 0.146568 O\n0.575848 0.543818 0.615460 O\n0.543818 0.575848 0.115460 O\n0.422496 0.458872 0.354355 O\n0.458872 0.422496 0.854355 O\n0.138913 0.149042 0.231206 O\n0.149042 0.138913 0.731206 O\n0.859370 0.850072 0.770401 O\n0.850072 0.859370 0.270401 O\n0.806193 0.410399 0.719371 O\n0.410399 0.806193 0.219371 O\n0.189208 0.590992 0.279916 O\n0.590992 0.189208 0.779916 O\n0.728301 0.358086 0.407569 O\n0.358086 0.728301 0.907569 O\n0.278315 0.635612 0.585809 O\n0.635612 0.278315 0.085809 O\n0.124536 0.887776 0.492139 O\n0.887776 0.124536 0.992139 O\n0.876249 0.109601 0.508482 O\n0.109601 0.876249 0.008482 O\n0.773064 0.584747 0.398840 O\n0.584747 0.773064 0.898840 O\n0.229532 0.413030 0.594584 O\n0.413030 0.229532 0.094584 O\n",
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],
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"formula_full": "Na10 H14 Se8 O36",
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{
"id": "mp-1038446",
"created_at": "2022-09-04T14:39:16.999164Z",
"structure_string": "Hf1 Mg30 Ga1 O32\n1.0\n8.627505 0.000000 0.000000\n0.000000 8.627505 0.000000\n0.000000 0.000000 8.626237\nHf Mg Ga O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.242867 0.242867 0.000000 Mg\n0.757133 0.242867 0.000000 Mg\n0.242867 0.757133 0.000000 Mg\n0.757133 0.757133 0.000000 Mg\n0.248211 0.248211 0.500000 Mg\n0.751789 0.248211 0.500000 Mg\n0.248211 0.751789 0.500000 Mg\n0.751789 0.751789 0.500000 Mg\n0.248931 0.000000 0.251709 Mg\n0.751069 0.000000 0.251709 Mg\n0.243868 0.500000 0.255860 Mg\n0.756132 0.500000 0.255860 Mg\n0.248931 0.000000 0.748291 Mg\n0.751069 0.000000 0.748291 Mg\n0.243868 0.500000 0.744140 Mg\n0.756132 0.500000 0.744140 Mg\n0.000000 0.248931 0.251709 Mg\n0.500000 0.243868 0.255860 Mg\n0.000000 0.751069 0.251709 Mg\n0.500000 0.756132 0.255860 Mg\n0.000000 0.248931 0.748291 Mg\n0.500000 0.243868 0.744140 Mg\n0.000000 0.751069 0.748291 Mg\n0.500000 0.756132 0.744140 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.271302 O\n0.500000 0.000000 0.252845 O\n0.000000 0.500000 0.252845 O\n0.500000 0.500000 0.249594 O\n0.000000 0.000000 0.728698 O\n0.500000 0.000000 0.747155 O\n0.000000 0.500000 0.747155 O\n0.500000 0.500000 0.750406 O\n0.250667 0.250667 0.248848 O\n0.749333 0.250667 0.248848 O\n0.250667 0.749333 0.248848 O\n0.749333 0.749333 0.248848 O\n0.250667 0.250667 0.751152 O\n0.749333 0.250667 0.751152 O\n0.250667 0.749333 0.751152 O\n0.749333 0.749333 0.751152 O\n0.272653 0.000000 0.000000 O\n0.727347 0.000000 0.000000 O\n0.254859 0.500000 0.000000 O\n0.745141 0.500000 0.000000 O\n0.253851 0.000000 0.500000 O\n0.746149 0.000000 0.500000 O\n0.251471 0.500000 0.500000 O\n0.748529 0.500000 0.500000 O\n0.000000 0.272653 0.000000 O\n0.500000 0.254859 0.000000 O\n0.000000 0.727347 0.000000 O\n0.500000 0.745141 0.000000 O\n0.000000 0.253851 0.500000 O\n0.500000 0.251471 0.500000 O\n0.000000 0.746149 0.500000 O\n0.500000 0.748529 0.500000 O\n",
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},
{
"id": "mp-1174922",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.135488 0.000000 0.000000\n-1.752002 5.609572 0.000000\n-0.866787 -1.741927 7.408368\nLi Mn Co O\n7 2 3 12\ndirect\n0.504951 0.923878 0.171989 Li\n0.502087 0.252999 0.494012 Li\n0.499211 0.583743 0.833077 Li\n0.497535 0.416774 0.173666 Li\n0.494783 0.742211 0.494094 Li\n0.501965 0.083138 0.834534 Li\n0.000393 0.331407 0.333037 Li\n0.995322 0.001796 0.000538 Mn\n0.001797 0.168631 0.664022 Mn\n0.000245 0.658112 0.658453 Co\n0.004159 0.501113 0.013795 Co\n0.997722 0.837967 0.334050 Co\n0.764621 0.720779 0.076472 O\n0.770157 0.044675 0.433706 O\n0.782164 0.370033 0.751183 O\n0.770568 0.197209 0.074706 O\n0.770752 0.563768 0.424900 O\n0.777233 0.893169 0.756199 O\n0.225398 0.101367 0.236068 O\n0.235677 0.446603 0.595816 O\n0.214012 0.794277 0.908960 O\n0.234815 0.625076 0.238638 O\n0.229544 0.968495 0.584695 O\n0.224888 0.272779 0.913388 O\n",
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{
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