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{
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"structure_string": "Na8 Ca4 P16 O70\n1.0\n7.464644 0.000000 0.000000\n0.000000 7.775515 0.000000\n0.000000 0.000000 28.556133\nNa Ca P O\n8 4 16 70\ndirect\n0.104023 0.960183 0.874271 Na\n0.104023 0.039817 0.125729 Na\n0.104023 0.960183 0.625729 Na\n0.104023 0.039817 0.374271 Na\n0.593746 0.489700 0.632234 Na\n0.593746 0.510300 0.367766 Na\n0.593746 0.489700 0.867766 Na\n0.593746 0.510300 0.132234 Na\n0.055753 0.000000 0.500000 Ca\n0.055753 0.000000 0.000000 Ca\n0.616887 0.577964 0.750000 Ca\n0.616887 0.422036 0.250000 Ca\n0.337020 0.692006 0.550614 P\n0.337020 0.307994 0.449386 P\n0.337020 0.692006 0.949386 P\n0.337020 0.307994 0.050614 P\n0.318630 0.310436 0.552994 P\n0.318630 0.689564 0.447006 P\n0.318630 0.310436 0.947006 P\n0.318630 0.689564 0.052994 P\n0.926384 0.291526 0.697318 P\n0.926384 0.708474 0.302682 P\n0.926384 0.291526 0.802682 P\n0.926384 0.708474 0.197318 P\n0.189311 0.581691 0.697405 P\n0.189311 0.418309 0.302595 P\n0.189311 0.581691 0.802595 P\n0.189311 0.418309 0.197405 P\n0.488171 0.703305 0.915279 O\n0.488171 0.296695 0.084721 O\n0.488171 0.703305 0.584721 O\n0.488171 0.296695 0.415279 O\n0.187552 0.822292 0.945681 O\n0.187552 0.177708 0.054319 O\n0.187552 0.822292 0.554319 O\n0.187552 0.177708 0.445681 O\n0.239353 0.505912 0.948034 O\n0.239353 0.494088 0.051966 O\n0.239353 0.505912 0.551966 O\n0.239353 0.494088 0.448034 O\n0.420233 0.298718 0.501984 O\n0.420233 0.701282 0.498016 O\n0.420233 0.298718 0.998016 O\n0.420233 0.701282 0.001984 O\n0.457282 0.286617 0.589717 O\n0.457282 0.713383 0.410283 O\n0.457282 0.286617 0.910283 O\n0.457282 0.713383 0.089717 O\n0.154872 0.196342 0.947478 O\n0.154872 0.803658 0.052522 O\n0.154872 0.196342 0.552522 O\n0.154872 0.803658 0.447478 O\n0.778511 0.426080 0.696178 O\n0.778511 0.573920 0.303822 O\n0.778511 0.426080 0.803822 O\n0.778511 0.573920 0.196178 O\n0.920040 0.145212 0.836020 O\n0.920040 0.854788 0.163980 O\n0.920040 0.145212 0.663980 O\n0.920040 0.854788 0.336020 O\n0.099485 0.701392 0.835567 O\n0.099485 0.298608 0.164433 O\n0.099485 0.701392 0.664433 O\n0.099485 0.298608 0.335567 O\n0.391930 0.564858 0.696829 O\n0.391930 0.435142 0.303171 O\n0.391930 0.564858 0.803171 O\n0.391930 0.435142 0.196829 O\n0.120957 0.630879 0.750000 O\n0.120957 0.369121 0.250000 O\n0.936910 0.212217 0.750000 O\n0.936910 0.787783 0.250000 O\n0.119396 0.384680 0.808228 O\n0.119396 0.615320 0.191772 O\n0.119396 0.384680 0.691772 O\n0.119396 0.615320 0.308228 O\n0.809315 0.571778 0.940592 O\n0.809315 0.428222 0.059408 O\n0.809315 0.571778 0.559408 O\n0.809315 0.428222 0.440592 O\n0.656040 0.882845 0.677053 O\n0.656040 0.117155 0.322947 O\n0.656040 0.882845 0.822947 O\n0.656040 0.117155 0.177053 O\n0.816483 0.853748 0.551983 O\n0.816483 0.146252 0.448017 O\n0.816483 0.853748 0.948017 O\n0.816483 0.146252 0.051983 O\n0.825853 0.700739 0.967398 O\n0.825853 0.299261 0.032602 O\n0.825853 0.700739 0.532602 O\n0.825853 0.299261 0.467398 O\n0.545999 0.971539 0.698706 O\n0.545999 0.028461 0.301294 O\n0.545999 0.971539 0.801294 O\n0.545999 0.028461 0.198706 O\n0.489127 0.879608 0.750000 O\n0.489127 0.120392 0.250000 O\n",
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"formula_full": "Na8 Ca4 P16 O70",
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{
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"created_at": "2022-09-04T14:41:12.242781Z",
"structure_string": "Mg1 Hg8 N4 O16\n1.0\n6.054298 0.131099 -0.877421\n0.109245 7.151033 -0.397558\n0.113940 -0.741868 12.338782\nMg Hg N O\n1 8 4 16\ndirect\n0.811065 0.360803 0.728702 Mg\n0.471236 0.790903 0.251241 Hg\n0.496991 0.286361 0.242884 Hg\n0.459338 0.162213 0.755587 Hg\n0.512677 0.720158 0.771229 Hg\n0.803317 0.574458 0.516848 Hg\n0.161811 0.929072 0.977985 Hg\n0.146210 0.539783 0.409485 Hg\n0.779474 0.954340 0.051393 Hg\n0.963048 0.998091 0.619332 N\n0.124624 0.453009 0.876503 N\n0.910325 0.507537 0.146191 N\n0.059312 0.055818 0.356175 N\n0.071293 0.547527 0.792193 O\n0.006184 0.173060 0.653802 O\n0.904431 0.375608 0.207925 O\n0.067272 0.898200 0.295613 O\n0.498912 0.014874 0.156202 O\n0.463283 0.551029 0.338284 O\n0.457364 0.909793 0.902510 O\n0.605427 0.528634 0.646896 O\n0.729369 0.583826 0.106364 O\n0.236678 0.146124 0.386366 O\n0.765915 0.953190 0.590910 O\n0.298419 0.476543 0.937747 O\n0.092688 0.558771 0.126366 O\n0.878892 0.117593 0.385638 O\n0.983655 0.329704 0.887497 O\n0.121742 0.882607 0.616507 O\n",
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{
"id": "mp-1111018",
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"structure_string": "K1 Na2 As1 F6\n1.0\n0.000000 4.534513 4.534513\n4.534513 0.000000 4.534513\n4.534513 4.534513 0.000000\nK Na As F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.773413 0.226587 0.226587 F\n0.226587 0.226587 0.773413 F\n0.226587 0.773413 0.773413 F\n0.226587 0.773413 0.226587 F\n0.773413 0.226587 0.773413 F\n0.773413 0.773413 0.226587 F\n",
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{
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"structure_string": "Sr8 Sn4 S12 F8\n1.0\n6.014200 0.000000 0.000000\n0.000000 6.034682 0.000000\n0.000000 0.000000 19.094630\nSr Sn S F\n8 4 12 8\ndirect\n0.246932 0.497651 0.073683 Sr\n0.746932 0.002349 0.426317 Sr\n0.253068 0.997651 0.926317 Sr\n0.753068 0.502349 0.573683 Sr\n0.246932 0.497651 0.426317 Sr\n0.746932 0.002349 0.073683 Sr\n0.253068 0.997651 0.573683 Sr\n0.753068 0.502349 0.926317 Sr\n0.843001 0.425566 0.250000 Sn\n0.343001 0.074434 0.250000 Sn\n0.656999 0.925566 0.750000 Sn\n0.156999 0.574434 0.750000 Sn\n0.743456 0.513888 0.366942 S\n0.243456 0.986112 0.133058 S\n0.756544 0.013888 0.633058 S\n0.256544 0.486112 0.866942 S\n0.251303 0.476395 0.250000 S\n0.751303 0.023605 0.250000 S\n0.248697 0.976395 0.750000 S\n0.748697 0.523605 0.750000 S\n0.743456 0.513888 0.133058 S\n0.243456 0.986112 0.366942 S\n0.756544 0.013888 0.866942 S\n0.256544 0.486112 0.633058 S\n0.500910 0.747714 0.499759 F\n0.000910 0.752286 0.000241 F\n0.999090 0.247714 0.500241 F\n0.499090 0.252286 0.999759 F\n0.499090 0.252286 0.500241 F\n0.999090 0.247714 0.999759 F\n0.000910 0.752286 0.499759 F\n0.500910 0.747714 0.000241 F\n",
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{
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"created_at": "2022-09-04T14:41:05.564310Z",
"structure_string": "Ni1 Pt1 C6 N6\n1.0\n0.000000 5.221870 5.221870\n5.221870 0.000000 5.221870\n5.221870 5.221870 0.000000\nNi Pt C N\n1 1 6 6\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Pt\n0.806734 0.193266 0.193266 C\n0.193266 0.806734 0.806734 C\n0.193266 0.806734 0.193266 C\n0.806734 0.193266 0.806734 C\n0.193266 0.193266 0.806734 C\n0.806734 0.806734 0.193266 C\n0.695399 0.304601 0.304601 N\n0.304601 0.695399 0.695399 N\n0.304601 0.695399 0.304601 N\n0.695399 0.304601 0.695399 N\n0.304601 0.304601 0.695399 N\n0.695399 0.695399 0.304601 N\n",
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],
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"formula_full": "Ni1 Pt1 C6 N6",
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{
"id": "mp-773062",
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"structure_string": "Li8 Mn12 Cu4 O32\n1.0\n8.300521 0.000000 0.000000\n0.014933 8.333380 0.000000\n0.011789 0.033460 8.383501\nLi Mn Cu O\n8 12 4 32\ndirect\n0.993970 0.995364 0.005261 Li\n0.756730 0.757372 0.246695 Li\n0.245641 0.254320 0.255422 Li\n0.007480 0.493173 0.495440 Li\n0.504131 0.004296 0.503446 Li\n0.742665 0.242838 0.744463 Li\n0.256359 0.745872 0.754120 Li\n0.492593 0.506402 0.994610 Li\n0.870837 0.372210 0.119164 Mn\n0.616768 0.129407 0.128164 Mn\n0.374049 0.882113 0.133226 Mn\n0.621268 0.379347 0.368938 Mn\n0.378497 0.632626 0.376712 Mn\n0.132878 0.878297 0.381834 Mn\n0.629451 0.628824 0.616359 Mn\n0.879987 0.871343 0.622925 Mn\n0.129245 0.116677 0.631185 Mn\n0.876273 0.620269 0.867808 Mn\n0.120971 0.367804 0.874470 Mn\n0.369998 0.121462 0.880684 Mn\n0.125070 0.627648 0.123184 Cu\n0.876833 0.124579 0.373099 Cu\n0.374480 0.373121 0.622865 Cu\n0.623318 0.873500 0.874853 Cu\n0.884893 0.607616 0.099882 O\n0.099659 0.366477 0.103405 O\n0.381973 0.117063 0.115142 O\n0.847154 0.140900 0.125742 O\n0.604355 0.902501 0.140373 O\n0.633718 0.368253 0.133737 O\n0.364600 0.649875 0.143016 O\n0.141614 0.883674 0.154559 O\n0.857427 0.364971 0.350574 O\n0.610085 0.153723 0.355312 O\n0.366895 0.866680 0.366035 O\n0.388898 0.403957 0.375128 O\n0.148980 0.646601 0.381417 O\n0.617605 0.614948 0.382111 O\n0.901418 0.885537 0.391089 O\n0.139848 0.107602 0.406090 O\n0.614997 0.392825 0.600468 O\n0.402274 0.638871 0.603607 O\n0.116086 0.882760 0.617220 O\n0.654007 0.857125 0.609513 O\n0.894830 0.101433 0.624288 O\n0.866713 0.632960 0.633455 O\n0.135020 0.348582 0.641702 O\n0.359477 0.110717 0.656250 O\n0.640667 0.632838 0.848123 O\n0.871936 0.850836 0.854370 O\n0.133388 0.132153 0.866202 O\n0.108047 0.596666 0.868509 O\n0.351712 0.353745 0.874683 O\n0.882338 0.384039 0.883551 O\n0.602140 0.116002 0.894823 O\n0.377613 0.889067 0.904693 O\n",
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{
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"created_at": "2022-09-04T14:41:08.835062Z",
"structure_string": "Ba2 Y1 Mo3 O8\n1.0\n4.197118 0.000000 0.000000\n0.000000 4.197118 0.000000\n0.000000 0.000000 11.810162\nBa Y Mo O\n2 1 3 8\ndirect\n0.000000 0.000000 0.169571 Ba\n0.000000 0.000000 0.830429 Ba\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.357759 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.500000 0.642241 Mo\n0.500000 0.000000 0.381216 O\n0.000000 0.500000 0.381216 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.173164 O\n0.500000 0.000000 0.618784 O\n0.000000 0.500000 0.618784 O\n0.500000 0.500000 0.826836 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1224024",
"created_at": "2022-09-04T14:41:05.575274Z",
"structure_string": "Ho1 Fe10 Mo2 N1\n1.0\n0.000000 0.000000 4.765946\n-4.307639 4.348129 2.382973\n-4.307639 -4.348129 -2.382973\nHo Fe Mo N\n1 10 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.720232 0.779768 0.220232 Fe\n0.279768 0.220232 0.779768 Fe\n0.500000 0.778837 0.778837 Fe\n0.500000 0.221163 0.221163 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640166 0.359834 0.640166 Fe\n0.359834 0.640166 0.359834 Fe\n0.000000 0.358659 0.358659 Mo\n0.000000 0.641341 0.641341 Mo\n0.500000 0.000000 0.000000 N\n",
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