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{
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"structure_string": "Co6 P8 O32\n1.0\n7.515169 0.000000 0.000000\n0.000000 7.514241 0.000000\n0.000000 0.627233 9.943009\nCo P O\n6 8 32\ndirect\n0.490238 0.759359 0.623417 Co\n0.364394 0.340011 0.315266 Co\n0.864394 0.659989 0.684734 Co\n0.508150 0.762361 0.128352 Co\n0.008150 0.237639 0.871648 Co\n0.990238 0.240641 0.376583 Co\n0.800042 0.053504 0.641469 P\n0.173299 0.447669 0.100887 P\n0.200807 0.437328 0.612872 P\n0.300042 0.946496 0.358531 P\n0.314682 0.937495 0.863201 P\n0.673299 0.552331 0.899113 P\n0.700807 0.562672 0.387128 P\n0.814682 0.062505 0.136799 P\n0.453114 0.086588 0.839410 O\n0.610726 0.988235 0.608160 O\n0.128925 0.000462 0.903964 O\n0.931972 0.890156 0.652651 O\n0.953114 0.913412 0.160590 O\n0.554633 0.415504 0.404551 O\n0.054633 0.584496 0.595449 O\n0.431972 0.109844 0.347349 O\n0.379963 0.522372 0.641893 O\n0.371123 0.784876 0.966340 O\n0.310062 0.859133 0.221308 O\n0.307545 0.857231 0.721453 O\n0.879963 0.477628 0.358107 O\n0.110726 0.011765 0.391840 O\n0.810062 0.140867 0.778692 O\n0.866717 0.501954 0.840270 O\n0.041867 0.594822 0.095281 O\n0.628925 0.999538 0.096036 O\n0.649190 0.718108 0.288436 O\n0.146907 0.296430 0.225844 O\n0.694425 0.652830 0.027831 O\n0.646907 0.703570 0.774156 O\n0.863040 0.197145 0.536030 O\n0.807545 0.142769 0.278547 O\n0.541867 0.405178 0.904719 O\n0.363040 0.802855 0.463970 O\n0.366717 0.498046 0.159730 O\n0.698511 0.645157 0.531283 O\n0.871123 0.215124 0.033660 O\n0.194425 0.347170 0.972169 O\n0.149190 0.281892 0.711564 O\n0.198511 0.354843 0.468717 O\n",
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{
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"structure_string": "Ni2 S4\n1.0\n5.250117 0.000000 0.000000\n0.000000 4.190608 0.000000\n0.000000 2.228376 4.856146\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.116718 0.649771 0.827678 S\n0.383282 0.649771 0.327678 S\n0.883282 0.350229 0.172322 S\n0.616718 0.350229 0.672322 S\n",
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"spacegroup": 14
},
{
"id": "mp-1181961",
"created_at": "2022-09-04T14:43:16.560673Z",
"structure_string": "Cr5 S8\n1.0\n3.441975 5.578551 0.000000\n-3.441975 5.578551 0.000000\n0.000000 5.434391 5.954716\nCr S\n5 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.726499 0.726499 0.510269 Cr\n0.273501 0.273501 0.489731 Cr\n0.271903 0.728097 0.000000 Cr\n0.728097 0.271903 0.000000 Cr\n0.982472 0.982472 0.819899 S\n0.544811 0.544811 0.166447 S\n0.455189 0.455189 0.833553 S\n0.017528 0.017528 0.180101 S\n0.452380 0.975853 0.330703 S\n0.975853 0.452380 0.330703 S\n0.547620 0.024147 0.669297 S\n0.024147 0.547620 0.669297 S\n",
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{
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"structure_string": "Li4 Nb2 Co3 Sb3 O16\n1.0\n6.207075 0.000000 0.000000\n3.053474 5.416086 0.000000\n0.126247 0.070178 9.906827\nLi Nb Co Sb O\n4 2 3 3 16\ndirect\n0.676048 0.667331 0.896560 Li\n0.980107 0.994902 0.984873 Li\n0.980723 0.003309 0.501208 Li\n0.339452 0.322803 0.407144 Li\n0.677825 0.671998 0.498167 Nb\n0.336404 0.360131 0.977791 Nb\n0.837386 0.829460 0.211110 Co\n0.172388 0.658092 0.710646 Co\n0.662580 0.171510 0.715198 Co\n0.336095 0.837973 0.217282 Sb\n0.827251 0.344791 0.215408 Sb\n0.176593 0.166891 0.714755 Sb\n0.343440 0.837195 0.590820 O\n0.540059 0.493959 0.353982 O\n0.689399 0.652038 0.101353 O\n0.968774 0.025111 0.316553 O\n0.999396 0.998545 0.798727 O\n0.853116 0.336744 0.594606 O\n0.526546 0.950419 0.351164 O\n0.962335 0.505334 0.341963 O\n0.141786 0.187522 0.096114 O\n0.840034 0.818634 0.588948 O\n0.041243 0.468784 0.840012 O\n0.464288 0.037313 0.851829 O\n0.342802 0.325683 0.608495 O\n0.136660 0.660828 0.078498 O\n0.486245 0.478207 0.847861 O\n0.660723 0.194791 0.096772 O\n",
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{
"id": "mp-768508",
"created_at": "2022-09-04T14:44:30.182378Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.085502 0.000000 0.000000\n-0.700162 8.463157 0.000000\n-0.815199 -1.498797 12.682981\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.749800 0.204430 0.439214 Li\n0.595749 0.250600 0.206794 Li\n0.721435 0.271343 0.981867 Li\n0.757107 0.945875 0.783361 Li\n0.619256 0.298614 0.667077 Li\n0.349552 0.806649 0.198294 Li\n0.222224 0.780052 0.426350 Li\n0.258389 0.778265 0.930028 Li\n0.794305 0.680876 0.086575 Fe\n0.767544 0.689687 0.588953 Fe\n0.159203 0.373245 0.330323 Fe\n0.169131 0.366549 0.829288 Fe\n0.689852 0.604268 0.330985 P\n0.703569 0.600614 0.831619 P\n0.258775 0.449578 0.085543 P\n0.232286 0.450997 0.585559 P\n0.720581 0.969096 0.082194 C\n0.653456 0.969514 0.573223 C\n0.217182 0.079057 0.327321 C\n0.291474 0.085223 0.843789 C\n0.951239 0.918289 0.099428 O\n0.799135 0.440874 0.295841 O\n0.855830 0.687288 0.430197 O\n0.870686 0.930708 0.622221 O\n0.813544 0.440410 0.791854 O\n0.872713 0.680077 0.931880 O\n0.696220 0.708711 0.239378 O\n0.676832 0.113836 0.082135 O\n0.719707 0.716793 0.747378 O\n0.617784 0.113046 0.561200 O\n0.555406 0.474931 0.060518 O\n0.417945 0.192237 0.337123 O\n0.533808 0.485058 0.570156 O\n0.460902 0.214254 0.852445 O\n0.523549 0.852003 0.065484 O\n0.394298 0.574647 0.357263 O\n0.483693 0.847723 0.540698 O\n0.409126 0.569245 0.857616 O\n0.254914 0.933693 0.323163 O\n0.243598 0.342390 0.175431 O\n0.372602 0.948776 0.846378 O\n0.223077 0.338663 0.674122 O\n0.151549 0.612499 0.121425 O\n0.985306 0.134267 0.321230 O\n0.086832 0.362056 0.482800 O\n0.107798 0.606583 0.616922 O\n0.043956 0.114679 0.830442 O\n0.090945 0.370505 0.985359 O\n",
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"formula_full": "Li8 Fe4 P4 C4 O28",
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{
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"structure_string": "Sc4 H16 S8 O40\n1.0\n0.116118 0.000000 8.759428\n9.307300 0.000000 -2.051182\n0.000000 10.775999 0.000000\nSc H S O\n4 16 8 40\ndirect\n0.754371 0.496675 0.125609 Sc\n0.745629 0.503325 0.625609 Sc\n0.245629 0.503325 0.874391 Sc\n0.254371 0.496675 0.374391 Sc\n0.986506 0.957765 0.167953 H\n0.513494 0.042235 0.667953 H\n0.013494 0.042235 0.832047 H\n0.486506 0.957765 0.332047 H\n0.917568 0.072189 0.248466 H\n0.582432 0.927811 0.748466 H\n0.082432 0.927811 0.751534 H\n0.417568 0.072189 0.251534 H\n0.716848 0.103758 0.058879 H\n0.783152 0.896242 0.558879 H\n0.283152 0.896242 0.941121 H\n0.216848 0.103758 0.441121 H\n0.661337 0.941784 0.017533 H\n0.838663 0.058216 0.517533 H\n0.338663 0.058216 0.982467 H\n0.161337 0.941784 0.482467 H\n0.140316 0.681179 0.126406 S\n0.359684 0.318821 0.626406 S\n0.859684 0.318821 0.873594 S\n0.640316 0.681179 0.373594 S\n0.360119 0.321505 0.123035 S\n0.139881 0.678495 0.623035 S\n0.639881 0.678495 0.876965 S\n0.860119 0.321505 0.376965 S\n0.989147 0.576337 0.124173 O\n0.510853 0.423663 0.624173 O\n0.010853 0.423663 0.875827 O\n0.489147 0.576337 0.375827 O\n0.226635 0.662100 0.009166 O\n0.273365 0.337900 0.509166 O\n0.773365 0.337900 0.990834 O\n0.726635 0.662100 0.490834 O\n0.121742 0.828661 0.135774 O\n0.378258 0.171339 0.635774 O\n0.878258 0.171339 0.864226 O\n0.621742 0.828661 0.364226 O\n0.233604 0.643104 0.232840 O\n0.266396 0.356896 0.732839 O\n0.766396 0.356896 0.767161 O\n0.733604 0.643104 0.267161 O\n0.514964 0.419928 0.124431 O\n0.985036 0.580072 0.624431 O\n0.485036 0.580072 0.875569 O\n0.014964 0.419928 0.375569 O\n0.374079 0.170836 0.114036 O\n0.125921 0.829164 0.614036 O\n0.625921 0.829164 0.885964 O\n0.874079 0.170836 0.385964 O\n0.275632 0.342563 0.239371 O\n0.224368 0.657437 0.739371 O\n0.724368 0.657437 0.760629 O\n0.775632 0.342563 0.260629 O\n0.268953 0.358671 0.015703 O\n0.231047 0.641329 0.515703 O\n0.731047 0.641329 0.984297 O\n0.768953 0.358671 0.484297 O\n0.944851 0.047079 0.162743 O\n0.555149 0.952921 0.662743 O\n0.055149 0.952921 0.837257 O\n0.444851 0.047079 0.337257 O\n0.659790 0.009629 0.088078 O\n0.840210 0.990371 0.588078 O\n0.340210 0.990371 0.911922 O\n0.159790 0.009629 0.411922 O\n",
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{
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"structure_string": "Cr8 Co1 Cu3 Se16\n1.0\n7.372701 0.000000 0.000000\n0.000000 7.372701 0.000000\n0.000000 0.000000 10.422388\nCr Co Cu Se\n8 1 3 16\ndirect\n0.250495 0.500000 0.123567 Cr\n0.752930 0.000000 0.624663 Cr\n0.749505 0.500000 0.123567 Cr\n0.247070 0.000000 0.624663 Cr\n0.000000 0.247070 0.375337 Cr\n0.500000 0.749505 0.876433 Cr\n0.500000 0.250495 0.876433 Cr\n0.000000 0.752930 0.375337 Cr\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.249895 Cu\n0.000000 0.500000 0.750105 Cu\n0.762273 0.500000 0.368683 Se\n0.265949 0.000000 0.866762 Se\n0.237727 0.500000 0.368683 Se\n0.734051 0.000000 0.866762 Se\n0.500000 0.237727 0.631317 Se\n0.000000 0.734051 0.133238 Se\n0.500000 0.762273 0.631317 Se\n0.000000 0.265949 0.133238 Se\n0.234588 0.000000 0.382623 Se\n0.734795 0.500000 0.882886 Se\n0.765412 0.000000 0.382623 Se\n0.265205 0.500000 0.882886 Se\n0.500000 0.265205 0.117114 Se\n0.000000 0.765412 0.617377 Se\n0.500000 0.734795 0.117114 Se\n0.000000 0.234588 0.617377 Se\n",
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{
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"structure_string": "Na3 Cu2 Sb1 O6\n1.0\n4.472067 2.939517 0.000000\n-4.472067 2.939517 0.000000\n0.000000 2.505606 5.402654\nNa Cu Sb O\n3 2 1 6\ndirect\n0.827410 0.172590 0.500000 Na\n0.172590 0.827410 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.333381 0.666619 0.000000 Cu\n0.666619 0.333381 0.000000 Cu\n0.000000 0.000000 0.000000 Sb\n0.639139 0.967635 0.226456 O\n0.745861 0.745861 0.831777 O\n0.254139 0.254139 0.168223 O\n0.967635 0.639139 0.226456 O\n0.360861 0.032365 0.773544 O\n0.032365 0.360861 0.773544 O\n",
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{
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