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{
"id": "mp-1031074",
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{
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"structure_string": "Ca8 Ge4\n1.0\n4.855452 0.000000 0.000000\n0.000000 7.678138 0.000000\n0.000000 0.000000 9.100631\nCa Ge\n8 4\ndirect\n0.750000 0.346544 0.074115 Ca\n0.250000 0.653456 0.925885 Ca\n0.750000 0.846544 0.425885 Ca\n0.250000 0.153456 0.574115 Ca\n0.750000 0.480171 0.677202 Ca\n0.250000 0.519829 0.322798 Ca\n0.750000 0.980171 0.822798 Ca\n0.250000 0.019829 0.177202 Ca\n0.750000 0.747667 0.105558 Ge\n0.250000 0.252333 0.894442 Ge\n0.750000 0.247667 0.394442 Ge\n0.250000 0.752333 0.605558 Ge\n",
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"formula_full": "Ca8 Ge4",
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},
{
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"created_at": "2022-09-04T14:45:37.122209Z",
"structure_string": "Cd2 In4 O8\n1.0\n-3.242069 3.334316 4.660274\n3.242069 -3.334316 4.660274\n3.242069 3.334316 -4.660274\nCd In O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.883572 0.133572 0.750000 In\n0.116428 0.866428 0.250000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.248000 0.728852 0.980852 O\n0.248000 0.267148 0.519148 O\n0.729936 0.734737 0.995199 O\n0.239538 0.734737 0.504801 O\n0.760462 0.265263 0.495199 O\n0.270064 0.265263 0.004801 O\n0.752000 0.732852 0.480852 O\n0.752000 0.271148 0.019148 O\n",
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"volume": 201.5117863924102,
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"formula_full": "Cd2 In4 O8",
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"spacegroup": 74
},
{
"id": "mp-1245451",
"created_at": "2022-09-04T14:45:37.884464Z",
"structure_string": "Nb4 Zn2 N8\n1.0\n3.119585 3.119585 4.405854\n3.119585 -3.119585 -4.405854\n-3.119585 3.119585 -4.405854\nNb Zn N\n4 2 8\ndirect\n0.750002 0.500000 0.250002 Nb\n0.249998 0.000000 0.249998 Nb\n0.249998 0.999998 0.750000 Nb\n0.750002 0.000002 0.250000 Nb\n0.500000 0.625000 0.625000 Zn\n0.000000 0.375000 0.875000 Zn\n0.729584 0.239476 0.009894 N\n0.270416 0.780310 0.009893 N\n0.229583 0.759893 0.489476 N\n0.770417 0.759894 0.030310 N\n0.770417 0.760524 0.490107 N\n0.229583 0.219690 0.490106 N\n0.729584 0.240107 0.469690 N\n0.270416 0.240106 0.010524 N\n",
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"formula_full": "Nb4 Zn2 N8",
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},
{
"id": "mp-1011696",
"created_at": "2022-09-04T14:45:26.467179Z",
"structure_string": "Cs8 Se4\n1.0\n5.624158 0.000000 0.000000\n0.000000 9.095804 0.000000\n0.000000 0.000000 10.998913\nCs Se\n8 4\ndirect\n0.250000 0.023608 0.829364 Cs\n0.250000 0.523608 0.670636 Cs\n0.750000 0.976392 0.170636 Cs\n0.750000 0.476392 0.329364 Cs\n0.250000 0.145806 0.425532 Cs\n0.250000 0.645806 0.074468 Cs\n0.750000 0.854194 0.574468 Cs\n0.750000 0.354194 0.925532 Cs\n0.250000 0.247938 0.110718 Se\n0.250000 0.747938 0.389282 Se\n0.750000 0.752062 0.889282 Se\n0.750000 0.252062 0.610718 Se\n",
"nsites": 12,
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"elements": [
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"density": 4.069971077533028,
"density_atomic": 0.021327152427619858,
"volume": 562.6630203317404,
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"formula_full": "Cs8 Se4",
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"spacegroup": 62
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{
"id": "mp-758346",
"created_at": "2022-09-04T14:45:38.165868Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n-5.877967 0.000000 0.000000\n1.508895 7.807022 0.000000\n-0.038452 -1.864806 -9.510060\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.658319 0.655253 0.500358 Li\n0.341681 0.344747 0.499642 Li\n0.917987 0.664538 0.006860 Mn\n0.082013 0.335462 0.993140 Mn\n0.418551 0.664319 0.006054 Mn\n0.581449 0.335681 0.993946 Mn\n0.249950 0.000221 0.000335 Mn\n0.750050 0.999779 0.999665 Mn\n0.169269 0.659779 0.499271 Al\n0.830731 0.340221 0.500729 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.211116 0.836444 0.288213 H\n0.710608 0.846766 0.295921 H\n0.969664 0.824522 0.699641 H\n0.887858 0.501778 0.291395 H\n0.446259 0.829702 0.704687 H\n0.112142 0.498222 0.708605 H\n0.359247 0.516749 0.290945 H\n0.030336 0.175478 0.300359 H\n0.640753 0.483251 0.709055 H\n0.553741 0.170298 0.295313 H\n0.788884 0.163556 0.711787 H\n0.289392 0.153234 0.704079 H\n0.198188 0.780839 0.114257 O\n0.215866 0.869075 0.393616 O\n0.720927 0.883419 0.399499 O\n0.697602 0.780798 0.113438 O\n0.968891 0.808614 0.596825 O\n0.968301 0.854632 0.904005 O\n0.897567 0.520891 0.394705 O\n0.865125 0.464770 0.101567 O\n0.467305 0.854963 0.903940 O\n0.134875 0.535230 0.898433 O\n0.436052 0.811656 0.601709 O\n0.102433 0.479109 0.605295 O\n0.031109 0.191386 0.403175 O\n0.363820 0.464538 0.099959 O\n0.368844 0.545842 0.393487 O\n0.031699 0.145368 0.095995 O\n0.636180 0.535462 0.900041 O\n0.631156 0.454158 0.606513 O\n0.563948 0.188344 0.398291 O\n0.532695 0.145037 0.096060 O\n0.801812 0.219161 0.885743 O\n0.784134 0.130925 0.606384 O\n0.279073 0.116581 0.600501 O\n0.302398 0.219202 0.886562 O\n",
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],
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"density": 3.2247931903069245,
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"volume": 436.41111554250676,
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"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
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"energy": -330.74357988,
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{
"id": "mp-1196029",
"created_at": "2022-09-04T14:45:30.922726Z",
"structure_string": "Rb12 V4 S8 O40\n1.0\n8.567738 0.000000 0.000000\n0.000000 11.809877 0.000000\n0.000000 4.120780 11.597498\nRb V S O\n12 4 8 40\ndirect\n0.283997 0.014474 0.049052 Rb\n0.283997 0.985526 0.450948 Rb\n0.716003 0.985526 0.950948 Rb\n0.716003 0.014474 0.549052 Rb\n0.852377 0.376089 0.643737 Rb\n0.852377 0.623911 0.856263 Rb\n0.147623 0.623911 0.356263 Rb\n0.147623 0.376089 0.143737 Rb\n0.691550 0.500000 0.250000 Rb\n0.308450 0.500000 0.750000 Rb\n0.884905 0.000000 0.250000 Rb\n0.115095 0.000000 0.750000 Rb\n0.670451 0.325760 0.023922 V\n0.670451 0.674240 0.476078 V\n0.329549 0.674240 0.976078 V\n0.329549 0.325760 0.523922 V\n0.510473 0.183145 0.212408 S\n0.510473 0.816855 0.287592 S\n0.489527 0.816855 0.787592 S\n0.489527 0.183145 0.712408 S\n0.978783 0.235361 0.934250 S\n0.978783 0.764639 0.565750 S\n0.021217 0.764639 0.065750 S\n0.021217 0.235361 0.434250 S\n0.347155 0.147239 0.210898 O\n0.347155 0.852761 0.289102 O\n0.652845 0.852761 0.789102 O\n0.652845 0.147239 0.710898 O\n0.028604 0.357828 0.867099 O\n0.028604 0.642172 0.632901 O\n0.971396 0.642172 0.132901 O\n0.971396 0.357828 0.367099 O\n0.796817 0.236596 0.947224 O\n0.796817 0.763404 0.552776 O\n0.203183 0.763404 0.052776 O\n0.203183 0.236596 0.447224 O\n0.582265 0.137517 0.326336 O\n0.582265 0.862483 0.173664 O\n0.417735 0.862483 0.673664 O\n0.417735 0.137517 0.826336 O\n0.566833 0.411164 0.914322 O\n0.566833 0.588836 0.585678 O\n0.433167 0.588836 0.085678 O\n0.433167 0.411164 0.414322 O\n0.046896 0.191890 0.051453 O\n0.046896 0.808110 0.448547 O\n0.953104 0.808110 0.948547 O\n0.953104 0.191890 0.551453 O\n0.474647 0.319997 0.659748 O\n0.474647 0.680003 0.840252 O\n0.525353 0.680003 0.340252 O\n0.525353 0.319997 0.159748 O\n0.808020 0.407835 0.057241 O\n0.808020 0.592165 0.442759 O\n0.191980 0.592165 0.942759 O\n0.191980 0.407835 0.557241 O\n0.607401 0.147832 0.123203 O\n0.607401 0.852168 0.376797 O\n0.392599 0.852168 0.876797 O\n0.392599 0.147832 0.623203 O\n0.005131 0.851802 0.626774 O\n0.005131 0.148198 0.873226 O\n0.994869 0.148198 0.373226 O\n0.994869 0.851802 0.126774 O\n",
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"volume": 1173.4804484016872,
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"formula_full": "Rb12 V4 S8 O40",
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{
"id": "mp-1045325",
"created_at": "2022-09-04T14:45:30.936682Z",
"structure_string": "Zn2 Mo16 O20\n1.0\n-3.222874 3.222874 12.922737\n3.222874 -3.222874 12.922737\n3.222874 3.222874 -12.922737\nZn Mo O\n2 16 20\ndirect\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.792360 0.548942 0.756582 Mo\n0.298942 0.042360 0.256582 Mo\n0.785778 0.042360 0.743418 Mo\n0.792360 0.035778 0.243418 Mo\n0.957640 0.701058 0.743418 Mo\n0.451058 0.207640 0.243418 Mo\n0.964222 0.207640 0.756582 Mo\n0.957640 0.214222 0.256582 Mo\n0.123613 0.390057 0.266444 Mo\n0.140057 0.373613 0.766444 Mo\n0.607170 0.373613 0.233556 Mo\n0.123613 0.857170 0.733556 Mo\n0.626387 0.392830 0.766444 Mo\n0.142830 0.876387 0.266444 Mo\n0.609943 0.876387 0.733556 Mo\n0.626387 0.859943 0.233556 Mo\n0.375000 0.625000 0.250000 O\n0.206184 0.971754 0.765569 O\n0.040482 0.823126 0.782644 O\n0.573126 0.290482 0.282644 O\n0.007838 0.290482 0.717356 O\n0.040482 0.257838 0.217356 O\n0.709518 0.426874 0.717356 O\n0.176874 0.959518 0.217356 O\n0.742162 0.959518 0.782644 O\n0.709518 0.992162 0.282644 O\n0.721754 0.456184 0.265569 O\n0.559385 0.793816 0.765569 O\n0.028246 0.793816 0.234431 O\n0.543816 0.278246 0.734431 O\n0.206184 0.440615 0.234431 O\n0.190615 0.456184 0.734431 O\n0.375000 0.125000 0.750000 O\n0.875000 0.625000 0.250000 O\n0.375000 0.625000 0.750000 O\n0.543816 0.809385 0.265569 O\n",
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{
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"structure_string": "Ac2 Br2 O2\n1.0\n4.310625 0.000000 0.000000\n0.000000 4.310625 0.000000\n0.000000 0.000000 7.697091\nAc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.837088 Ac\n0.500000 0.000000 0.162912 Ac\n0.500000 0.000000 0.636554 Br\n0.000000 0.500000 0.363446 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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{
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}