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{
"id": "mp-1023955",
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"structure_string": "Mo1 W1 Se2 S2\n1.0\n1.626708 -2.817541 0.000000\n1.626708 2.817541 0.000000\n0.000000 0.000000 22.998975\nMo W Se S\n1 1 2 2\ndirect\n0.000000 0.000000 0.150421 Mo\n0.333333 0.666667 0.451443 W\n0.333333 0.666667 0.076550 Se\n0.333333 0.666667 0.224318 Se\n0.000000 0.000000 0.518831 S\n0.000000 0.000000 0.384041 S\n",
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{
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"spacegroup": 62
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{
"id": "mp-768598",
"created_at": "2022-09-04T14:45:18.449021Z",
"structure_string": "Na8 Ni4 C4 S4 O28\n1.0\n0.161389 0.000048 5.254145\n9.004788 6.682338 0.044898\n-9.004663 6.682174 -0.044799\nNa Ni C S O\n8 4 4 4 28\ndirect\n0.230735 0.605801 0.391804 Na\n0.230766 0.105781 0.891783 Na\n0.230719 0.358226 0.144217 Na\n0.230787 0.858181 0.644181 Na\n0.769283 0.641767 0.855764 Na\n0.769194 0.141807 0.355794 Na\n0.769279 0.394193 0.608181 Na\n0.769195 0.894209 0.108208 Na\n0.777654 0.052274 0.697900 Ni\n0.222407 0.947824 0.302227 Ni\n0.777333 0.552256 0.197731 Ni\n0.222749 0.447775 0.802305 Ni\n0.722334 0.417271 0.332741 C\n0.722379 0.917184 0.832761 C\n0.277665 0.582726 0.667243 C\n0.277584 0.082813 0.167209 C\n0.723891 0.336763 0.913235 S\n0.723795 0.836800 0.413234 S\n0.276110 0.663257 0.086773 S\n0.276223 0.163201 0.586779 S\n0.310036 0.151912 0.098073 O\n0.310039 0.651842 0.598138 O\n0.689954 0.848067 0.901932 O\n0.689933 0.348136 0.401856 O\n0.947182 0.446738 0.303266 O\n0.947262 0.946633 0.803373 O\n0.052826 0.553242 0.696742 O\n0.052715 0.053367 0.196626 O\n0.531293 0.467014 0.282935 O\n0.531361 0.966977 0.783001 O\n0.468726 0.532983 0.717052 O\n0.468647 0.033028 0.216998 O\n0.157462 0.588962 0.161087 O\n0.157597 0.088954 0.661101 O\n0.842567 0.411026 0.838900 O\n0.842382 0.911043 0.338883 O\n0.438461 0.347936 0.902123 O\n0.438294 0.848046 0.402080 O\n0.561555 0.652052 0.097875 O\n0.561663 0.151940 0.597899 O\n0.805202 0.203766 0.866218 O\n0.805050 0.703786 0.366136 O\n0.805379 0.383792 0.046214 O\n0.805387 0.883807 0.546209 O\n0.194640 0.616187 0.953776 O\n0.194587 0.116202 0.453794 O\n0.194783 0.796248 0.133791 O\n0.194933 0.296205 0.633852 O\n",
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"formula_full": "Na8 Ni4 C4 S4 O28",
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"energy": -319.01923531,
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"spacegroup": 11
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{
"id": "mp-775852",
"created_at": "2022-09-04T14:45:18.662349Z",
"structure_string": "Li8 Sb4 C8 S2 O32\n1.0\n9.580419 0.000000 0.000000\n-0.704942 9.676310 0.000000\n-4.420298 -4.570661 7.474587\nLi Sb C S O\n8 4 8 2 32\ndirect\n0.825003 0.070477 0.750016 Li\n0.852780 0.080173 0.141071 Li\n0.431837 0.064335 0.777919 Li\n0.545312 0.268768 0.194261 Li\n0.831853 0.701161 0.772397 Li\n0.404227 0.625995 0.664283 Li\n0.558614 0.939045 0.267083 Li\n0.199114 0.909138 0.235248 Li\n0.990947 0.511078 0.498221 Sb\n0.986847 0.489606 0.987805 Sb\n0.507937 0.507591 0.018818 Sb\n0.024415 0.991193 0.506576 Sb\n0.838394 0.273663 0.575813 C\n0.757987 0.310298 0.052702 C\n0.798382 0.744191 0.066646 C\n0.742473 0.698219 0.436839 C\n0.224461 0.303961 0.568756 C\n0.209766 0.246289 0.909199 C\n0.215281 0.677441 0.918963 C\n0.200407 0.762271 0.456735 C\n0.386144 0.128045 0.265993 S\n0.631713 0.884267 0.771499 S\n0.815783 0.136704 0.453864 O\n0.886653 0.305987 0.039537 O\n0.841533 0.288017 0.717425 O\n0.735653 0.261954 0.146064 O\n0.855939 0.406098 0.569736 O\n0.441093 0.060979 0.387709 O\n0.451072 0.056245 0.144913 O\n0.651008 0.362772 0.961846 O\n0.801766 0.629449 0.936014 O\n0.857487 0.689754 0.570123 O\n0.201943 0.069962 0.164745 O\n0.459314 0.305873 0.358855 O\n0.222019 0.175260 0.588422 O\n0.353278 0.232804 0.950279 O\n0.658155 0.555488 0.280634 O\n0.898798 0.888775 0.163493 O\n0.361153 0.416069 0.662175 O\n0.072846 0.122373 0.769978 O\n0.687612 0.712545 0.103500 O\n0.719820 0.828122 0.453224 O\n0.593141 0.708621 0.649775 O\n0.818101 0.958139 0.888358 O\n0.196124 0.383428 0.997771 O\n0.083426 0.303800 0.456283 O\n0.358740 0.719990 0.051590 O\n0.556967 0.902260 0.879782 O\n0.570545 0.973862 0.677554 O\n0.228784 0.641253 0.468126 O\n0.195940 0.633770 0.760966 O\n0.146361 0.768806 0.314338 O\n0.084187 0.672052 0.929983 O\n0.214415 0.891582 0.599637 O\n",
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"formula_full": "Li8 Sb4 C8 S2 O32",
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{
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"created_at": "2022-09-04T14:45:16.015541Z",
"structure_string": "Sr1 Gd2 Fe3 O9\n1.0\n2.757392 -4.775943 0.000000\n2.757392 4.775943 0.000000\n0.000000 0.000000 6.728955\nSr Gd Fe O\n1 2 3 9\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.850906 Gd\n0.333333 0.666667 0.149094 Gd\n0.666667 0.333333 0.338582 Fe\n0.333333 0.666667 0.661418 Fe\n0.000000 0.000000 0.000000 Fe\n0.827260 0.172740 0.154389 O\n0.500000 0.500000 0.500000 O\n0.172740 0.827260 0.845611 O\n0.000000 0.500000 0.500000 O\n0.654520 0.827260 0.845611 O\n0.345480 0.172740 0.154389 O\n0.827260 0.654520 0.154389 O\n0.500000 0.000000 0.500000 O\n0.172740 0.345480 0.845611 O\n",
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{
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{
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{
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"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.765920 -0.005233 -0.008788\n-0.005238 4.765833 0.008777\n-0.017116 0.017092 9.238787\nTa Cr N O\n4 2 2 10\ndirect\n0.988266 0.011739 0.343597 Ta\n0.992472 0.007538 0.672958 Ta\n0.495668 0.504331 0.166859 Ta\n0.479534 0.520463 0.830031 Ta\n0.502658 0.497370 0.499217 Cr\n0.003230 0.996779 0.999998 Cr\n0.198043 0.801956 0.833016 N\n0.803339 0.196661 0.497530 N\n0.196280 0.803721 0.497852 O\n0.204686 0.795265 0.165119 O\n0.805813 0.194186 0.168894 O\n0.805539 0.194464 0.831841 O\n0.307104 0.300121 0.327527 O\n0.699877 0.692897 0.327527 O\n0.306909 0.301253 0.668242 O\n0.698748 0.693093 0.668244 O\n0.313209 0.301372 0.000775 O\n0.698623 0.686793 0.000775 O\n",
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{
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