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{
"id": "jvasp-11948",
"created_at": "2022-09-04T14:36:33.722806Z",
"updated_at": "2022-09-04T14:36:33.722829Z",
"structure_string": "Nb1 Co1\n1.0\n3.081526 0.000000 0.000000\n0.000000 3.081526 -0.000000\n0.000000 -0.000000 3.081526\nNb Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500001 0.500001 Co\n",
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{
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"updated_at": "2022-09-04T14:36:44.791629Z",
"structure_string": "Th2 Cu1 Tc1\n1.0\n4.394056 0.000000 2.536910\n1.464686 4.142756 2.536910\n0.000000 -0.000000 5.073819\nTh Cu Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.750001 0.750001 0.749999 Th\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Tc\n",
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{
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"structure_string": "Mn2 Be1 Bi1\n1.0\n3.026317 0.000000 -0.000000\n0.000000 3.026317 0.000000\n-0.000000 0.000000 7.470255\nMn Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.073203 Mn\n0.500001 0.500001 0.251208 Mn\n0.000000 0.000000 0.391685 Be\n0.500001 0.500001 0.783905 Bi\n",
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{
"id": "jvasp-40061",
"created_at": "2022-09-04T14:37:59.035376Z",
"updated_at": "2022-09-04T14:37:59.035402Z",
"structure_string": "Ti6 Pb2\n1.0\n2.983486 -5.167549 -0.000000\n2.983486 5.167549 0.000000\n-0.000000 -0.000000 4.795657\nTi Pb\n6 2\ndirect\n0.839988 0.160013 0.250000 Ti\n0.839989 0.679975 0.250000 Ti\n0.320027 0.160013 0.250000 Ti\n0.160013 0.839988 0.750000 Ti\n0.160013 0.320027 0.750000 Ti\n0.679975 0.839989 0.750000 Ti\n0.666668 0.333334 0.750000 Pb\n0.333334 0.666668 0.250000 Pb\n",
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{
"id": "jvasp-109687",
"created_at": "2022-09-04T14:38:19.447257Z",
"updated_at": "2022-09-04T14:38:19.447279Z",
"structure_string": "Sr1 Ta1 N1 O2\n1.0\n4.039921 -0.000000 0.000000\n0.000000 4.055091 0.000000\n0.000000 0.000000 4.083183\nSr Ta N O\n1 1 1 2\ndirect\n-0.000000 0.985184 -0.000000 Sr\n0.500000 0.489495 0.500000 Ta\n0.500000 0.516443 -0.000000 N\n-0.000000 0.505202 0.500000 O\n0.500000 0.003674 0.500000 O\n",
"nsites": 5,
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{
"id": "jvasp-97787",
"created_at": "2022-09-04T14:36:01.576793Z",
"updated_at": "2022-09-04T14:36:01.576813Z",
"structure_string": "Co8 Si4 O16\n1.0\n5.334555 0.000000 2.157920\n1.837214 6.733381 3.130944\n0.009336 -0.003150 7.649607\nCo Si O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.732689 0.767311 Co\n0.749999 0.267311 0.232689 Co\n0.372212 0.127788 0.627788 Co\n0.127787 0.872212 0.372212 Co\n0.627787 0.872212 0.372212 Co\n0.872212 0.127788 0.627788 Co\n0.500000 0.500000 0.500000 Co\n0.122523 0.494828 0.260126 Si\n0.877476 0.505172 0.739874 Si\n0.377477 0.239874 0.005172 Si\n0.622522 0.760126 0.994828 Si\n0.750000 0.530603 0.969397 O\n0.249999 0.469397 0.030603 O\n0.639925 0.618010 0.629778 O\n0.986933 0.268259 0.757874 O\n0.013066 0.731741 0.242126 O\n0.513066 0.742126 0.231741 O\n0.486934 0.257874 0.768259 O\n0.387714 0.870222 0.881990 O\n0.139926 0.129778 0.118011 O\n0.112286 0.618010 0.629778 O\n0.360074 0.381989 0.370222 O\n0.612285 0.129778 0.118011 O\n0.860073 0.870222 0.881990 O\n0.887713 0.381989 0.370223 O\n0.249999 0.974929 0.525071 O\n0.750000 0.025071 0.474930 O\n",
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"density_atomic": 0.10193857036278058,
"volume": 274.6752274468159,
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"formula_full": "Co8 Si4 O16",
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"spacegroup": 74
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{
"id": "jvasp-113159",
"created_at": "2022-09-04T14:38:46.615223Z",
"updated_at": "2022-09-04T14:38:46.615253Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n5.789994 -0.033915 2.256884\n-1.298524 6.987952 1.097152\n-0.015153 -0.185491 6.420327\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.399158 0.109120 0.172741 Li\n0.600842 0.890879 0.827258 Li\n0.273827 0.311631 0.714173 Mn\n0.726173 0.688367 0.285827 Mn\n0.245384 0.674855 0.313488 P\n0.754616 0.325143 0.686511 P\n0.880445 0.138127 0.285105 P\n0.119556 0.861873 0.714895 P\n0.205306 0.685085 0.959113 H\n0.794694 0.314913 0.040887 H\n0.923094 0.258024 0.464828 O\n0.076905 0.741975 0.535171 O\n0.298147 0.762008 0.794634 O\n0.701855 0.237991 0.205365 O\n0.635504 0.483644 0.616066 O\n0.364496 0.516354 0.383935 O\n0.926637 0.385069 0.799036 O\n0.436206 0.843165 0.170654 O\n0.881989 0.833120 0.907550 O\n0.118009 0.166878 0.092451 O\n0.234689 0.062348 0.587318 O\n0.073362 0.614930 0.200964 O\n0.563796 0.156836 0.829345 O\n0.765312 0.937651 0.412681 O\n",
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"density_atomic": 0.09179700259585837,
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"volume_molar": 6.560280390104701,
"formula_full": "Li2 Mn2 P4 H2 O14",
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{
"id": "jvasp-22209",
"created_at": "2022-09-04T14:37:34.611947Z",
"updated_at": "2022-09-04T14:37:34.611970Z",
"structure_string": "Mn6 Al18 Si2\n1.0\n3.748678 -6.492900 -0.000000\n3.748678 6.492900 -0.000000\n-0.000000 0.000000 7.679474\nMn Al Si\n6 18 2\ndirect\n0.756870 0.878435 0.250000 Mn\n0.121566 0.878434 0.250000 Mn\n0.878435 0.756870 0.750000 Mn\n0.243131 0.121566 0.750000 Mn\n0.878434 0.121566 0.750000 Mn\n0.121566 0.243131 0.250000 Mn\n0.801581 0.603162 0.435465 Al\n0.198419 0.801581 0.935465 Al\n0.603162 0.801581 0.935465 Al\n0.396838 0.198419 0.435465 Al\n0.084132 0.542066 0.250000 Al\n0.198419 0.396838 0.935465 Al\n0.542066 0.084132 0.750000 Al\n0.457934 0.542066 0.250000 Al\n0.801581 0.603162 0.064535 Al\n0.457934 0.915869 0.250000 Al\n0.542066 0.457934 0.750000 Al\n0.396838 0.198419 0.064535 Al\n0.603162 0.801581 0.564535 Al\n0.198419 0.396838 0.564535 Al\n0.198419 0.801581 0.564535 Al\n0.801581 0.198419 0.064535 Al\n0.801581 0.198419 0.435465 Al\n0.915869 0.457934 0.750000 Al\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
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"formula_full": "Mn6 Al18 Si2",
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{
"id": "jvasp-42756",
"created_at": "2022-09-04T14:35:51.867220Z",
"updated_at": "2022-09-04T14:35:51.867236Z",
"structure_string": "Li4 Ti3 Fe3 Ni2 O16\n1.0\n5.720309 -0.025324 -0.055332\n2.833907 4.969024 -0.054619\n-0.014987 -0.011580 9.482227\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.325269 0.325232 0.106699 Li\n0.013792 0.013953 0.005002 Li\n0.013180 0.013278 0.501491 Li\n0.659873 0.659792 0.602082 Li\n0.164598 0.661224 0.785234 Ti\n0.661123 0.164242 0.785251 Ti\n0.833374 0.833352 0.286411 Ti\n0.343830 0.824601 0.287029 Fe\n0.824595 0.343826 0.287023 Fe\n0.170703 0.170971 0.788059 Fe\n0.332838 0.332886 0.508971 Ni\n0.666533 0.666498 0.015300 Ni\n0.839985 0.840009 0.900350 O\n0.328165 0.843994 0.895820 O\n0.664891 0.664927 0.396878 O\n0.956828 0.511137 0.163362 O\n0.511196 0.956786 0.163366 O\n0.163298 0.163331 0.388051 O\n0.471938 0.030576 0.663545 O\n0.478525 0.478504 0.661792 O\n0.678351 0.167410 0.397862 O\n0.005649 0.005590 0.189069 O\n0.001614 0.001715 0.684984 O\n0.334704 0.334853 0.900870 O\n0.513047 0.512994 0.170424 O\n0.167371 0.678392 0.397869 O\n0.030594 0.471977 0.663567 O\n0.843847 0.328247 0.895805 O\n",
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{
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"structure_string": "Li4 Ti1 V3 O10\n1.0\n6.644193 0.000000 0.000000\n0.000000 6.644193 0.000000\n0.000000 0.000000 4.519162\nLi Ti V O\n4 1 3 10\ndirect\n0.751019 0.751019 0.000000 Li\n0.751019 0.248980 0.000000 Li\n0.248980 0.248980 0.000000 Li\n0.248980 0.751019 0.000000 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.606579 V\n0.500000 0.000000 0.393420 V\n0.000000 0.000000 0.500000 V\n0.500000 0.279045 0.258191 O\n0.500000 0.720955 0.258191 O\n0.279045 0.500000 0.741809 O\n0.217491 0.000000 0.264851 O\n0.782508 0.000000 0.264851 O\n0.000000 0.217491 0.735148 O\n0.000000 0.500000 0.235851 O\n0.500000 0.000000 0.764149 O\n0.000000 0.782508 0.735148 O\n0.720955 0.500000 0.741809 O\n",
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{
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{
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}