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{
"id": "mp-1198359",
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"structure_string": "Sn4 H72 W12 C16 N24 O48\n1.0\n0.000000 -10.468620 -0.000000\n9.970025 -5.234310 -6.969731\n9.926376 -5.234310 13.137206\nSn H W C N O\n4 72 12 16 24 48\ndirect\n0.135804 0.182695 0.909734 Sn\n0.228232 0.317305 0.590266 Sn\n0.864196 0.817305 0.090266 Sn\n0.771768 0.682695 0.409734 Sn\n0.822491 0.147013 0.657431 H\n0.626935 0.352987 0.842569 H\n0.177509 0.852987 0.342569 H\n0.373065 0.647013 0.157431 H\n0.008582 0.112928 0.648895 H\n0.770405 0.387072 0.851105 H\n0.991418 0.887072 0.351105 H\n0.229595 0.612928 0.148895 H\n0.704451 0.029545 0.740265 H\n0.474261 0.470455 0.759735 H\n0.295549 0.970455 0.259735 H\n0.525739 0.529545 0.240265 H\n0.800282 0.923762 0.798468 H\n0.522512 0.576238 0.701532 H\n0.199718 0.076238 0.201532 H\n0.477488 0.423762 0.298468 H\n0.130575 0.965314 0.719659 H\n0.815548 0.534686 0.780341 H\n0.869425 0.034686 0.280341 H\n0.184452 0.465314 0.219659 H\n0.048994 0.876798 0.779067 H\n0.704859 0.623202 0.720933 H\n0.951006 0.123202 0.220933 H\n0.295141 0.376798 0.279067 H\n0.290840 0.723060 0.873225 H\n0.887125 0.776940 0.626775 H\n0.709160 0.276940 0.126775 H\n0.112875 0.223060 0.373225 H\n0.340418 0.822476 0.806658 H\n0.969552 0.677524 0.693342 H\n0.659582 0.177524 0.193342 H\n0.030448 0.322476 0.306658 H\n0.424775 0.632180 0.967244 H\n0.024199 0.867820 0.532756 H\n0.575225 0.367820 0.032756 H\n0.975801 0.132180 0.467244 H\n0.577225 0.660286 0.965780 H\n0.203291 0.839714 0.534220 H\n0.422775 0.339714 0.034220 H\n0.796709 0.160286 0.465780 H\n0.634600 0.799509 0.876044 H\n0.310152 0.700491 0.623956 H\n0.365400 0.200491 0.123956 H\n0.689848 0.299509 0.376044 H\n0.531789 0.863762 0.808155 H\n0.203706 0.636238 0.691845 H\n0.468211 0.136238 0.191845 H\n0.796294 0.363762 0.308155 H\n0.901028 0.199659 0.866346 H\n0.967033 0.300341 0.633654 H\n0.098972 0.800341 0.133654 H\n0.032967 0.699659 0.366346 H\n0.963769 0.074425 0.922956 H\n0.961151 0.425575 0.577044 H\n0.036231 0.925575 0.077044 H\n0.038849 0.574425 0.422956 H\n0.856991 0.200880 0.975845 H\n0.033716 0.299120 0.524155 H\n0.143009 0.799120 0.024155 H\n0.966284 0.700880 0.475845 H\n0.330006 0.110111 0.998099 H\n0.438216 0.389889 0.501901 H\n0.669994 0.889889 0.001901 H\n0.561784 0.610111 0.498099 H\n0.267165 0.003620 0.994900 H\n0.265685 0.496380 0.505100 H\n0.732835 0.996380 0.005100 H\n0.734315 0.503620 0.494900 H\n0.394307 0.033075 0.907447 H\n0.334829 0.466925 0.592553 H\n0.605693 0.966925 0.092553 H\n0.665171 0.533075 0.407447 H\n0.868666 0.464063 0.981008 W\n0.313737 0.035937 0.518992 W\n0.131334 0.535937 0.018992 W\n0.686263 0.964063 0.481008 W\n0.958269 0.683893 0.882619 W\n0.524781 0.816107 0.617381 W\n0.041731 0.316107 0.117381 W\n0.475219 0.183893 0.382619 W\n0.132413 0.435402 0.799389 W\n0.367205 0.064598 0.700611 W\n0.867587 0.564598 0.200611 W\n0.632795 0.935402 0.299389 W\n0.916223 0.012725 0.726208 C\n0.655156 0.487275 0.773792 C\n0.083777 0.987275 0.273792 C\n0.344844 0.512725 0.226208 C\n0.459088 0.755677 0.888677 C\n0.103443 0.744323 0.611323 C\n0.540912 0.244323 0.111323 C\n0.896557 0.255677 0.388677 C\n0.937777 0.163384 0.920638 C\n0.021799 0.336616 0.579362 C\n0.062223 0.836616 0.079362 C\n0.978201 0.663384 0.420638 C\n0.302501 0.068297 0.959397 C\n0.330195 0.431703 0.540603 C\n0.697499 0.931703 0.040603 C\n0.669805 0.568297 0.459397 C\n0.914637 0.099510 0.674133 N\n0.688279 0.400490 0.825867 N\n0.085363 0.900490 0.325867 N\n0.311721 0.599510 0.174133 N\n0.796935 0.990545 0.758734 N\n0.546214 0.509455 0.741266 N\n0.203065 0.009455 0.241266 N\n0.453786 0.490545 0.258734 N\n0.038788 0.949622 0.746074 N\n0.734484 0.550378 0.753926 N\n0.961212 0.050378 0.253926 N\n0.265516 0.449622 0.246074 N\n0.348883 0.772859 0.857777 N\n0.979519 0.727141 0.642223 N\n0.651117 0.227141 0.142223 N\n0.020481 0.272859 0.357777 N\n0.481567 0.683374 0.951296 N\n0.116237 0.816626 0.548704 N\n0.518433 0.316626 0.048704 N\n0.883763 0.183374 0.451296 N\n0.542419 0.814801 0.859004 N\n0.216225 0.685199 0.640996 N\n0.457581 0.185199 0.140996 N\n0.783775 0.314801 0.359004 N\n0.711030 0.433498 0.023488 O\n0.168016 0.066502 0.476513 O\n0.288970 0.566502 0.976513 O\n0.831984 0.933498 0.523487 O\n0.104275 0.728613 0.832952 O\n0.665839 0.771387 0.667048 O\n0.895725 0.271387 0.167048 O\n0.334161 0.228613 0.332952 O\n0.288005 0.470310 0.762719 O\n0.521035 0.029690 0.737281 O\n0.711995 0.529690 0.237281 O\n0.478965 0.970310 0.262719 O\n0.792791 0.612676 0.954172 O\n0.359639 0.887324 0.545828 O\n0.207209 0.387324 0.045828 O\n0.640361 0.112676 0.454172 O\n0.932692 0.413188 0.874864 O\n0.220744 0.086812 0.625136 O\n0.067308 0.586812 0.125136 O\n0.779256 0.913188 0.374864 O\n0.986989 0.591990 0.795565 O\n0.374544 0.908010 0.704435 O\n0.013011 0.408010 0.204435 O\n0.625456 0.091990 0.295565 O\n0.078328 0.510384 0.921242 O\n0.509954 0.989616 0.578758 O\n0.921672 0.489616 0.078758 O\n0.490046 0.010384 0.421242 O\n0.023155 0.311760 0.006686 O\n0.341601 0.188240 0.493314 O\n0.976845 0.688240 0.993314 O\n0.658399 0.811760 0.506686 O\n0.807706 0.805121 0.870206 O\n0.483033 0.694879 0.629794 O\n0.192294 0.194879 0.129794 O\n0.516967 0.305121 0.370206 O\n0.111730 0.398048 0.708077 O\n0.217856 0.101952 0.791923 O\n0.888270 0.601952 0.291923 O\n0.782144 0.898048 0.208077 O\n0.217811 0.295984 0.846819 O\n0.360614 0.204016 0.653181 O\n0.782189 0.704016 0.153181 O\n0.639386 0.795984 0.346819 O\n0.520850 0.258269 0.839775 O\n0.618894 0.241731 0.660225 O\n0.479150 0.741731 0.160225 O\n0.381106 0.758269 0.339775 O\n",
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"elements": [
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"W",
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"chemical_system": "C-H-N-O-Sn-W",
"density": 3.2092983756224958,
"density_atomic": 0.08399252545677045,
"volume": 2095.4245516832834,
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"formula_full": "Sn4 H72 W12 C16 N24 O48",
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"energy": -1157.79853316,
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"updated_at": "2021-11-28T01:36:39.057000Z",
"spacegroup": 15
},
{
"id": "mp-1199471",
"created_at": "2022-09-04T14:44:26.756550Z",
"structure_string": "Ba2 Na2 Al2 Mo12 H52 O68\n1.0\n5.779407 12.005414 0.000000\n-5.779407 12.005414 0.000000\n0.000000 1.121566 11.266064\nBa Na Al Mo H O\n2 2 2 12 52 68\ndirect\n0.345200 0.654800 0.250000 Ba\n0.654800 0.345200 0.750000 Ba\n0.957518 0.042482 0.250000 Na\n0.042482 0.957518 0.750000 Na\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.966208 0.671607 0.220371 Mo\n0.328393 0.033792 0.279629 Mo\n0.033792 0.328393 0.779629 Mo\n0.671607 0.966208 0.720371 Mo\n0.832035 0.525281 0.248944 Mo\n0.474719 0.167965 0.251056 Mo\n0.167965 0.474719 0.751056 Mo\n0.525281 0.832035 0.748944 Mo\n0.865384 0.351008 0.029672 Mo\n0.648992 0.134616 0.470328 Mo\n0.134616 0.648992 0.970328 Mo\n0.351008 0.865384 0.529672 Mo\n0.809580 0.566857 0.873604 H\n0.433143 0.190420 0.626396 H\n0.190420 0.433143 0.126396 H\n0.566857 0.809580 0.373604 H\n0.221556 0.288815 0.930004 H\n0.711185 0.778444 0.569996 H\n0.778444 0.711185 0.069996 H\n0.288815 0.221556 0.430004 H\n0.928083 0.692569 0.849288 H\n0.307431 0.071917 0.650712 H\n0.071917 0.307431 0.150712 H\n0.692569 0.928083 0.349288 H\n0.214097 0.932254 0.152383 H\n0.067746 0.785903 0.347617 H\n0.785903 0.067746 0.847617 H\n0.932254 0.214097 0.652383 H\n0.148859 0.931725 0.045670 H\n0.068275 0.851141 0.454330 H\n0.851141 0.068275 0.954330 H\n0.931725 0.148859 0.545670 H\n0.566023 0.339691 0.194391 H\n0.660309 0.433977 0.305609 H\n0.433977 0.660309 0.805609 H\n0.339691 0.566023 0.694391 H\n0.509693 0.395920 0.069595 H\n0.604080 0.490307 0.430405 H\n0.490307 0.604080 0.930405 H\n0.395920 0.509693 0.569595 H\n0.253680 0.521020 0.459665 H\n0.478980 0.746320 0.040335 H\n0.746320 0.478980 0.540335 H\n0.521020 0.253680 0.959665 H\n0.391890 0.406973 0.413830 H\n0.593027 0.608110 0.086170 H\n0.608110 0.593027 0.586170 H\n0.406973 0.391890 0.913830 H\n0.775072 0.043511 0.127673 H\n0.956489 0.224928 0.372327 H\n0.224928 0.956489 0.872327 H\n0.043511 0.775072 0.627673 H\n0.907870 0.915634 0.088792 H\n0.084366 0.092130 0.411208 H\n0.092130 0.084366 0.911208 H\n0.915634 0.907870 0.588792 H\n0.581710 0.891556 0.099453 H\n0.108444 0.418290 0.400547 H\n0.418290 0.108444 0.900547 H\n0.891556 0.581710 0.599453 H\n0.607980 0.870537 0.962236 H\n0.129463 0.392020 0.537764 H\n0.392020 0.129463 0.037764 H\n0.870537 0.607980 0.462236 H\n0.890123 0.490458 0.909510 O\n0.509542 0.109877 0.590490 O\n0.109877 0.509542 0.090490 O\n0.490458 0.890123 0.409510 O\n0.135526 0.367511 0.899873 O\n0.632489 0.864474 0.600127 O\n0.864474 0.632489 0.100127 O\n0.367511 0.135526 0.399873 O\n0.005895 0.613277 0.886491 O\n0.386723 0.994105 0.613509 O\n0.994105 0.386723 0.113509 O\n0.613277 0.005895 0.386491 O\n0.980548 0.754337 0.075008 O\n0.245663 0.019452 0.424992 O\n0.019452 0.245663 0.924992 O\n0.754337 0.980548 0.575008 O\n0.822245 0.808694 0.277664 O\n0.191306 0.177755 0.222336 O\n0.177755 0.191306 0.722336 O\n0.808694 0.822245 0.777664 O\n0.087576 0.646662 0.298705 O\n0.353338 0.912424 0.201295 O\n0.912424 0.353338 0.701295 O\n0.646662 0.087576 0.798705 O\n0.961258 0.538463 0.305214 O\n0.461537 0.038742 0.194786 O\n0.038742 0.461537 0.694786 O\n0.538463 0.961258 0.805214 O\n0.693372 0.666717 0.305407 O\n0.333283 0.306628 0.194593 O\n0.306628 0.333283 0.694593 O\n0.666717 0.693372 0.805407 O\n0.866716 0.400573 0.349063 O\n0.599427 0.133284 0.150937 O\n0.133284 0.599427 0.650937 O\n0.400573 0.866716 0.849063 O\n0.752387 0.503809 0.126347 O\n0.496191 0.247613 0.373653 O\n0.247613 0.496191 0.873653 O\n0.503809 0.752387 0.626347 O\n0.895921 0.232056 0.133170 O\n0.767944 0.104079 0.366830 O\n0.104079 0.767944 0.866830 O\n0.232056 0.895921 0.633170 O\n0.751463 0.377095 0.939005 O\n0.622905 0.248537 0.560995 O\n0.248537 0.622905 0.060995 O\n0.377095 0.751463 0.439005 O\n0.160691 0.908776 0.132378 O\n0.091224 0.839309 0.367622 O\n0.839309 0.091224 0.867622 O\n0.908776 0.160691 0.632378 O\n0.522104 0.418578 0.145262 O\n0.581422 0.477896 0.354738 O\n0.477896 0.581422 0.854738 O\n0.418578 0.522104 0.645262 O\n0.337642 0.498354 0.435918 O\n0.501646 0.662358 0.064082 O\n0.662358 0.501646 0.564082 O\n0.498354 0.337642 0.935918 O\n0.863659 0.007684 0.100681 O\n0.992316 0.136341 0.399319 O\n0.136341 0.992316 0.899319 O\n0.007684 0.863659 0.600681 O\n0.631523 0.824792 0.040340 O\n0.175208 0.368477 0.459660 O\n0.368477 0.175208 0.959660 O\n0.824792 0.631523 0.540340 O\n",
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],
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"density": 2.8319600536603904,
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"volume": 1563.3730831966438,
"volume_molar": 6.822357077829985,
"formula_full": "Ba2 Na2 Al2 Mo12 H52 O68",
"formula_reduced": "BaNaAlMo6(H13O17)2",
"formula_anonymous": "ABCD6E26F34",
"energy": -889.9361129,
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"updated_at": "2021-11-28T01:36:36.509000Z",
"spacegroup": 15
},
{
"id": "mp-772311",
"created_at": "2022-09-04T14:44:28.799106Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.769279 0.000000 0.000000\n0.000000 8.965753 0.000000\n0.000000 0.013241 10.348246\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.497929 0.082259 0.880031 Na\n0.502071 0.082259 0.380031 Na\n0.251835 0.258646 0.623763 Na\n0.748082 0.258774 0.623825 Na\n0.251918 0.258774 0.123825 Na\n0.748165 0.258646 0.123763 Na\n0.751860 0.741679 0.876556 Na\n0.248140 0.741679 0.376556 Na\n0.000187 0.915885 0.619958 Na\n0.999813 0.915885 0.119958 Na\n0.243010 0.733006 0.878806 Li\n0.756990 0.733006 0.378806 Li\n0.999654 0.362597 0.889185 Mn\n0.000346 0.362597 0.389185 Mn\n0.501179 0.639948 0.610515 Mn\n0.498821 0.639948 0.110515 Mn\n0.496385 0.413627 0.850210 P\n0.503615 0.413627 0.350210 P\n0.002825 0.591006 0.648799 P\n0.997175 0.591006 0.148799 P\n0.004984 0.056152 0.868158 C\n0.995016 0.056152 0.368158 C\n0.499416 0.939830 0.632735 C\n0.500584 0.939830 0.132735 C\n0.499907 0.083594 0.643230 O\n0.500093 0.083594 0.143230 O\n0.999325 0.120124 0.981314 O\n0.000675 0.120124 0.481314 O\n0.999158 0.140229 0.765094 O\n0.000842 0.140229 0.265094 O\n0.315054 0.318290 0.892053 O\n0.682588 0.324836 0.893983 O\n0.317412 0.324836 0.393983 O\n0.684946 0.318290 0.392053 O\n0.499495 0.427770 0.699734 O\n0.000284 0.431168 0.591283 O\n0.500505 0.427770 0.199734 O\n0.999716 0.431168 0.091283 O\n0.487271 0.573828 0.907753 O\n0.008153 0.577998 0.800151 O\n0.512729 0.573828 0.407753 O\n0.991847 0.577998 0.300151 O\n0.818143 0.682002 0.605681 O\n0.185647 0.681855 0.604142 O\n0.814353 0.681855 0.104142 O\n0.181857 0.682002 0.105681 O\n0.497087 0.855482 0.735771 O\n0.502913 0.855482 0.235771 O\n0.501585 0.877363 0.518913 O\n0.498415 0.877363 0.018913 O\n0.015619 0.912054 0.858356 O\n0.984381 0.912054 0.358356 O\n",
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"volume": 628.0524710337377,
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"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
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"spacegroup": 7
},
{
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{
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{
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{
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"structure_string": "Na3 Li9 Ti6 Fe6 P18 O72\n1.0\n8.501383 0.000000 0.000000\n-4.248488 7.883648 0.000000\n-0.014919 -1.018333 20.986354\nNa Li Ti Fe P O\n3 9 6 6 18 72\ndirect\n0.345857 0.688504 0.663000 Na\n0.334496 0.668360 0.163937 Na\n0.675771 0.351181 0.333681 Na\n0.127756 0.621670 0.782516 Li\n0.582910 0.537397 0.696350 Li\n0.761772 0.766944 0.912979 Li\n0.460427 0.290670 0.449596 Li\n0.913481 0.202047 0.367433 Li\n0.080000 0.418617 0.572642 Li\n0.812663 0.967990 0.105847 Li\n0.234612 0.889675 0.025059 Li\n0.416601 0.086371 0.241442 Li\n0.189719 0.382054 0.952161 Ti\n0.473865 0.953883 0.881405 Ti\n0.529843 0.057208 0.614964 Ti\n0.860411 0.722893 0.287399 Ti\n0.131815 0.268396 0.716441 Ti\n0.142267 0.281365 0.214781 Ti\n0.810174 0.618119 0.547294 Fe\n0.866318 0.734378 0.783607 Fe\n0.208650 0.411505 0.449921 Fe\n0.471786 0.941438 0.382286 Fe\n0.536478 0.075725 0.114088 Fe\n0.807457 0.615415 0.047989 Fe\n0.904220 0.094891 0.847717 P\n0.288597 0.996619 0.748081 P\n0.473272 0.242710 0.987277 P\n0.863919 0.431396 0.676177 P\n0.052026 0.671464 0.917775 P\n0.239896 0.766358 0.512621 P\n0.426582 0.575900 0.821325 P\n0.622529 0.668442 0.416213 P\n0.804430 0.900140 0.653716 P\n0.196510 0.100139 0.344335 P\n0.385980 0.341767 0.585386 P\n0.576385 0.434681 0.180713 P\n0.759296 0.245001 0.485214 P\n0.958030 0.336996 0.081841 P\n0.138320 0.574024 0.320266 P\n0.522504 0.762318 0.010169 P\n0.717020 0.003334 0.249247 P\n0.094266 0.905463 0.155234 P\n0.384684 0.728500 0.824466 O\n0.572076 0.846910 0.944509 O\n0.239414 0.832805 0.927708 O\n0.987190 0.190203 0.910898 O\n0.704874 0.050084 0.843364 O\n0.004391 0.210823 0.792409 O\n0.409746 0.975855 0.698636 O\n0.373479 0.026842 0.815817 O\n0.526835 0.141181 0.937369 O\n0.719208 0.245443 0.664735 O\n0.038899 0.442841 0.707237 O\n0.068861 0.515858 0.936148 O\n0.262704 0.152462 0.733605 O\n0.303958 0.243489 0.963145 O\n0.712301 0.392434 0.489846 O\n0.628083 0.420756 0.997628 O\n0.922480 0.514022 0.611180 O\n0.793902 0.522114 0.723289 O\n0.980395 0.645376 0.848268 O\n0.567978 0.501973 0.599757 O\n0.325511 0.855143 0.578532 O\n0.924626 0.703384 0.962341 O\n0.042646 0.718147 0.507890 O\n0.320107 0.451896 0.872188 O\n0.341896 0.885209 0.460071 O\n0.627313 0.629886 0.829988 O\n0.743280 0.640177 0.366176 O\n0.362289 0.491088 0.752361 O\n0.109095 0.829871 0.745055 O\n0.700222 0.693833 0.483426 O\n0.877153 0.821736 0.604616 O\n0.749412 0.799941 0.715741 O\n0.052082 0.913846 0.332940 O\n0.922048 0.931121 0.844026 O\n0.375042 0.117634 0.371219 O\n0.401762 0.182985 0.601439 O\n0.605076 0.822783 0.397762 O\n0.635757 0.906702 0.630491 O\n0.065097 0.065591 0.160518 O\n0.952656 0.087733 0.669877 O\n0.245683 0.182590 0.277704 O\n0.124618 0.188788 0.391249 O\n0.314598 0.317368 0.515992 O\n0.904777 0.163575 0.259158 O\n0.658338 0.518511 0.246452 O\n0.248464 0.364306 0.629812 O\n0.376274 0.396550 0.179275 O\n0.654954 0.119022 0.537069 O\n0.668389 0.550958 0.126896 O\n0.959625 0.297572 0.493674 O\n0.076385 0.309878 0.033023 O\n0.697572 0.161845 0.416602 O\n0.442831 0.496998 0.409320 O\n0.049276 0.362347 0.149352 O\n0.194453 0.481179 0.267212 O\n0.087677 0.468084 0.380479 O\n0.380897 0.575867 0.000509 O\n0.259874 0.600612 0.511778 O\n0.698922 0.778660 0.038758 O\n0.731526 0.846797 0.269023 O\n0.941198 0.495507 0.071141 O\n0.963366 0.569655 0.297470 O\n0.288411 0.755251 0.328200 O\n0.447231 0.849352 0.058433 O\n0.641600 0.966794 0.179475 O\n0.589925 0.040093 0.292576 O\n0.988975 0.784766 0.207279 O\n0.293833 0.947298 0.163805 O\n0.028854 0.826606 0.087329 O\n0.778068 0.169123 0.080408 O\n0.418721 0.138038 0.048483 O\n0.580579 0.262550 0.177935 O\n",
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"elements": [
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"chemical_system": "Fe-Li-Na-O-P-Ti",
"density": 2.9079977029022204,
"density_atomic": 0.08104963245229087,
"volume": 1406.5455517901955,
"volume_molar": 7.43018885809862,
"formula_full": "Na3 Li9 Ti6 Fe6 P18 O72",
"formula_reduced": "NaLi3Ti2Fe2(PO4)6",
"formula_anonymous": "AB2C2D3E6F24",
"energy": -864.37584651,
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"formation_energy": null,
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"energy_uncorrected": -801.37584651,
"band_gap": 2.2378,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.178000Z",
"spacegroup": 1
},
{
"id": "mp-542688",
"created_at": "2022-09-04T14:41:27.598720Z",
"structure_string": "La2 H12 Au6 C12 N12 O6\n1.0\n3.402262 -5.892891 0.000000\n3.402262 5.892891 0.000000\n0.000000 0.000000 18.797165\nLa H Au C N O\n2 12 6 12 12 6\ndirect\n0.000000 0.000000 0.250000 La\n0.000000 0.000000 0.750000 La\n0.460213 0.000000 0.291615 H\n0.460213 0.460213 0.791615 H\n0.000000 0.539787 0.791615 H\n0.000000 0.460213 0.291615 H\n0.539787 0.539787 0.291615 H\n0.460213 0.000000 0.208385 H\n0.539787 0.539787 0.208385 H\n0.539787 0.000000 0.791615 H\n0.000000 0.460213 0.208385 H\n0.000000 0.539787 0.708385 H\n0.539787 0.000000 0.708385 H\n0.460213 0.460213 0.708385 H\n0.500000 0.500000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.359460 0.359460 0.093112 C\n0.000000 0.359460 0.593112 C\n0.359460 0.000000 0.593112 C\n0.640540 0.000000 0.093112 C\n0.000000 0.640540 0.093112 C\n0.000000 0.640540 0.406888 C\n0.640540 0.000000 0.406888 C\n0.640540 0.640540 0.593112 C\n0.359460 0.359460 0.406888 C\n0.640540 0.640540 0.906888 C\n0.000000 0.359460 0.906888 C\n0.359460 0.000000 0.906888 C\n0.275515 0.275515 0.147675 N\n0.000000 0.275515 0.647675 N\n0.275515 0.000000 0.647675 N\n0.724485 0.000000 0.147675 N\n0.000000 0.724485 0.147675 N\n0.000000 0.724485 0.352325 N\n0.724485 0.000000 0.352325 N\n0.724485 0.724485 0.647675 N\n0.275515 0.275515 0.352325 N\n0.724485 0.724485 0.852325 N\n0.000000 0.275515 0.852325 N\n0.275515 0.000000 0.852325 N\n0.373511 0.000000 0.250000 O\n0.373511 0.373511 0.750000 O\n0.000000 0.626489 0.750000 O\n0.000000 0.373511 0.250000 O\n0.626489 0.626489 0.250000 O\n0.626489 0.000000 0.750000 O\n",
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"formula_full": "La2 H12 Au6 C12 N12 O6",
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"updated_at": "2021-11-28T01:35:16.267000Z",
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}
]
}