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{
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{
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"structure_string": "V1 Ni3 P4 O16\n1.0\n5.797472 0.000000 0.000000\n0.000000 4.823708 0.000000\n0.000000 0.162890 9.909633\nV Ni P O\n1 3 4 16\ndirect\n0.500000 0.971899 0.724685 V\n0.000000 0.030818 0.272008 Ni\n0.000000 0.461377 0.773049 Ni\n0.500000 0.538014 0.232496 Ni\n0.500000 0.079722 0.400523 P\n0.500000 0.393340 0.905347 P\n0.000000 0.595539 0.097081 P\n0.000000 0.935592 0.590669 P\n0.500000 0.144262 0.562800 O\n0.292349 0.235253 0.336963 O\n0.707651 0.235253 0.336963 O\n0.000000 0.245206 0.606057 O\n0.000000 0.278388 0.111710 O\n0.300654 0.240323 0.825100 O\n0.699346 0.240323 0.825100 O\n0.500000 0.341156 0.052737 O\n0.000000 0.658418 0.944940 O\n0.793051 0.740261 0.169032 O\n0.206949 0.740261 0.169032 O\n0.500000 0.706563 0.865563 O\n0.500000 0.769671 0.397193 O\n0.788550 0.795958 0.675511 O\n0.211450 0.795958 0.675511 O\n0.000000 0.826445 0.449929 O\n",
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{
"id": "mp-759781",
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"structure_string": "Li8 Co4 C8 O24\n1.0\n9.723459 0.000000 0.000000\n0.000000 7.577043 0.000000\n0.000000 5.107709 7.566849\nLi Co C O\n8 4 8 24\ndirect\n0.183245 0.844146 0.289482 Li\n0.878538 0.635344 0.356914 Li\n0.316755 0.844146 0.789482 Li\n0.621462 0.635344 0.856914 Li\n0.378538 0.364656 0.143086 Li\n0.683245 0.155854 0.210518 Li\n0.121462 0.364656 0.643086 Li\n0.816755 0.155854 0.710518 Li\n0.381042 0.460361 0.452218 Co\n0.881042 0.539639 0.047782 Co\n0.118958 0.460361 0.952218 Co\n0.618958 0.539639 0.547782 Co\n0.484571 0.923962 0.302397 C\n0.015429 0.923962 0.802397 C\n0.118126 0.489745 0.268985 C\n0.618126 0.510255 0.231015 C\n0.381874 0.489745 0.768985 C\n0.881874 0.510255 0.731015 C\n0.984571 0.076038 0.197603 C\n0.515429 0.076038 0.697603 C\n0.975648 0.876803 0.316403 O\n0.602034 0.854511 0.388093 O\n0.383065 0.793134 0.338492 O\n0.524352 0.876803 0.816403 O\n0.897966 0.854511 0.888093 O\n0.116935 0.793134 0.838492 O\n0.174964 0.521127 0.382896 O\n0.486277 0.484419 0.252099 O\n0.692451 0.560212 0.318824 O\n0.192451 0.439788 0.181176 O\n0.986277 0.515581 0.247901 O\n0.674964 0.478873 0.117104 O\n0.325036 0.521127 0.882896 O\n0.013723 0.484419 0.752099 O\n0.807549 0.560212 0.818824 O\n0.307549 0.439788 0.681176 O\n0.513723 0.515581 0.747901 O\n0.825036 0.478873 0.617104 O\n0.883065 0.206866 0.161508 O\n0.102034 0.145489 0.111907 O\n0.475648 0.123197 0.183597 O\n0.616935 0.206866 0.661508 O\n0.397966 0.145489 0.611907 O\n0.024352 0.123197 0.683597 O\n",
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"formula_full": "Li8 Co4 C8 O24",
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{
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"structure_string": "Zn4 Ag2 W2 O12\n1.0\n5.227243 0.000000 0.000000\n0.000000 5.295075 0.000000\n0.000000 4.845663 8.657334\nZn Ag W O\n4 2 2 12\ndirect\n0.483381 0.217154 0.759293 Zn\n0.983381 0.782846 0.740707 Zn\n0.516619 0.782846 0.240707 Zn\n0.016619 0.217154 0.259293 Zn\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.190305 0.468295 0.901798 O\n0.690305 0.531705 0.598202 O\n0.809695 0.531705 0.098202 O\n0.309695 0.468295 0.401798 O\n0.345117 0.763407 0.059937 O\n0.845117 0.236593 0.440063 O\n0.654883 0.236593 0.940063 O\n0.154883 0.763407 0.559937 O\n0.124888 0.172234 0.698329 O\n0.624888 0.827766 0.801671 O\n0.375112 0.172234 0.198329 O\n0.875112 0.827766 0.301671 O\n",
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"density_atomic": 0.08346435030707873,
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{
"id": "mp-1219147",
"created_at": "2022-09-04T14:41:16.996559Z",
"structure_string": "Sm6 Cd1 Si2 S14\n1.0\n5.088729 -8.813937 0.000000\n5.088729 8.813937 0.000000\n0.000000 0.000000 5.680682\nSm Cd Si S\n6 1 2 14\ndirect\n0.642251 0.877148 0.248570 Sm\n0.122852 0.765103 0.248570 Sm\n0.234897 0.357749 0.248570 Sm\n0.357794 0.122762 0.750133 Sm\n0.877238 0.235031 0.750133 Sm\n0.764969 0.642206 0.750133 Sm\n0.000000 0.000000 0.490451 Cd\n0.333333 0.666667 0.834379 Si\n0.666667 0.333333 0.337294 Si\n0.333333 0.666667 0.463867 S\n0.666667 0.333333 0.966345 S\n0.742633 0.911567 0.732635 S\n0.088433 0.831066 0.732635 S\n0.168934 0.257367 0.732635 S\n0.256888 0.086271 0.240819 S\n0.913729 0.170618 0.240819 S\n0.829382 0.743112 0.240819 S\n0.478177 0.590414 0.983595 S\n0.409586 0.887763 0.983595 S\n0.112237 0.521823 0.983595 S\n0.521720 0.409519 0.485442 S\n0.590481 0.112201 0.485442 S\n0.887799 0.478280 0.485442 S\n",
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{
"id": "mp-1196750",
"created_at": "2022-09-04T14:41:16.965933Z",
"structure_string": "Pr4 Se8 N4 O52\n1.0\n5.969483 0.000000 0.000000\n0.000000 9.530589 0.000000\n0.000000 0.000000 18.932340\nPr Se N O\n4 8 4 52\ndirect\n0.250000 0.250000 0.943122 Pr\n0.750000 0.750000 0.556878 Pr\n0.750000 0.750000 0.056878 Pr\n0.250000 0.250000 0.443122 Pr\n0.128685 0.031563 0.118587 Se\n0.371315 0.468437 0.118587 Se\n0.628685 0.968437 0.381413 Se\n0.871315 0.531563 0.381413 Se\n0.871315 0.968437 0.881413 Se\n0.628685 0.531563 0.881413 Se\n0.371315 0.031563 0.618587 Se\n0.128685 0.468437 0.618587 Se\n0.750000 0.250000 0.754264 N\n0.250000 0.750000 0.745736 N\n0.250000 0.750000 0.245736 N\n0.750000 0.250000 0.254264 N\n0.331134 0.443342 0.679702 O\n0.168866 0.056658 0.679702 O\n0.831134 0.556658 0.820298 O\n0.668866 0.943342 0.820298 O\n0.668866 0.556658 0.320298 O\n0.831134 0.943342 0.320298 O\n0.168866 0.443342 0.179702 O\n0.331134 0.056658 0.179702 O\n0.568158 0.360080 0.888149 O\n0.931842 0.139920 0.888149 O\n0.068158 0.639920 0.611851 O\n0.431842 0.860080 0.611851 O\n0.431842 0.639920 0.111851 O\n0.068158 0.860080 0.111851 O\n0.931842 0.360080 0.388149 O\n0.568158 0.139920 0.388149 O\n0.892044 0.382781 0.640892 O\n0.607956 0.117219 0.640892 O\n0.392044 0.617219 0.859108 O\n0.107956 0.882781 0.859108 O\n0.107956 0.617219 0.359108 O\n0.392044 0.882781 0.359108 O\n0.607956 0.382781 0.140892 O\n0.892044 0.117219 0.140892 O\n0.219997 0.415580 0.538775 O\n0.280003 0.084420 0.538775 O\n0.719997 0.584420 0.961225 O\n0.780003 0.915580 0.961225 O\n0.780003 0.584420 0.461225 O\n0.719997 0.915580 0.461225 O\n0.280003 0.415580 0.038775 O\n0.219997 0.084420 0.038775 O\n0.250000 0.250000 0.807888 O\n0.750000 0.750000 0.692112 O\n0.750000 0.750000 0.192112 O\n0.250000 0.250000 0.307888 O\n0.116829 0.452923 0.871491 O\n0.383171 0.047077 0.871491 O\n0.616829 0.547077 0.628509 O\n0.883171 0.952923 0.628509 O\n0.883171 0.547077 0.128509 O\n0.616829 0.952923 0.128509 O\n0.383171 0.452923 0.371491 O\n0.116829 0.047077 0.371491 O\n0.826226 0.293073 0.011271 O\n0.673774 0.206927 0.011271 O\n0.326226 0.706927 0.488729 O\n0.173774 0.793073 0.488729 O\n0.173774 0.706927 0.988729 O\n0.326226 0.793073 0.988729 O\n0.673774 0.293073 0.511271 O\n0.826226 0.206927 0.511271 O\n",
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{
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{
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"structure_string": "Cs4 Zn4 P4 O16\n1.0\n5.586520 0.000000 0.000000\n0.000000 9.195286 0.000000\n0.000000 0.000000 9.770192\nCs Zn P O\n4 4 4 16\ndirect\n0.250000 0.487767 0.690603 Cs\n0.750000 0.512233 0.309397 Cs\n0.250000 0.987767 0.809397 Cs\n0.750000 0.012233 0.190603 Cs\n0.250000 0.662419 0.095688 Zn\n0.750000 0.337581 0.904312 Zn\n0.250000 0.162419 0.404312 Zn\n0.750000 0.837581 0.595688 Zn\n0.250000 0.287454 0.072624 P\n0.750000 0.712546 0.927376 P\n0.250000 0.787454 0.427376 P\n0.750000 0.212546 0.572624 P\n0.974522 0.757681 0.012469 O\n0.474522 0.242319 0.987531 O\n0.525478 0.257681 0.487531 O\n0.025478 0.742319 0.512469 O\n0.025478 0.242319 0.987531 O\n0.525478 0.757681 0.012469 O\n0.474522 0.742319 0.512469 O\n0.974522 0.257681 0.487531 O\n0.250000 0.195809 0.205142 O\n0.750000 0.804191 0.794858 O\n0.250000 0.695809 0.294858 O\n0.750000 0.304191 0.705142 O\n0.750000 0.048968 0.605278 O\n0.250000 0.951032 0.394722 O\n0.750000 0.548968 0.894722 O\n0.250000 0.451032 0.105278 O\n",
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{
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{
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"structure_string": "Y3 Mn3 Ga2 Ge1\n1.0\n3.513760 -6.086012 0.000000\n3.513760 6.086012 0.000000\n0.000000 0.000000 4.144456\nY Mn Ga Ge\n3 3 2 1\ndirect\n0.913095 0.665211 0.500000 Y\n0.752116 0.086905 0.500000 Y\n0.334789 0.247884 0.500000 Y\n0.562701 0.663080 0.000000 Mn\n0.100379 0.437299 0.000000 Mn\n0.336920 0.899621 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.000000 Ge\n",
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"formula_full": "Y3 Mn3 Ga2 Ge1",
"formula_reduced": "Y3Mn3Ga2Ge",
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{
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"structure_string": "V2 Cd4 Bi2 O12\n1.0\n4.449088 -5.767488 0.000000\n4.449088 5.767488 0.000000\n0.000000 0.000000 5.739332\nV Cd Bi O\n2 4 2 12\ndirect\n0.835578 0.164422 0.481080 V\n0.164422 0.835578 0.981080 V\n0.092355 0.320036 0.982743 Cd\n0.907645 0.679964 0.482743 Cd\n0.320036 0.092355 0.482743 Cd\n0.679964 0.907645 0.982743 Cd\n0.594857 0.405143 0.976921 Bi\n0.405143 0.594857 0.476921 Bi\n0.938282 0.378952 0.624293 O\n0.061718 0.621048 0.124293 O\n0.378952 0.938282 0.124293 O\n0.621048 0.061718 0.624293 O\n0.343458 0.347609 0.728276 O\n0.656542 0.652391 0.228276 O\n0.347609 0.343458 0.228276 O\n0.652391 0.656542 0.728276 O\n0.793633 0.206367 0.184204 O\n0.206367 0.793633 0.684204 O\n0.984834 0.015166 0.477169 O\n0.015166 0.984834 0.977169 O\n",
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"elements": [
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{
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"structure_string": "Bi2 P6 N2 O20\n1.0\n7.015124 0.000000 0.000000\n-3.387971 8.133436 0.000000\n-0.882778 -3.011256 8.800174\nBi P N O\n2 6 2 20\ndirect\n0.230628 0.046135 0.295263 Bi\n0.769372 0.953865 0.704737 Bi\n0.255815 0.917306 0.659621 P\n0.744185 0.082694 0.340379 P\n0.280227 0.137192 0.948177 P\n0.719773 0.862808 0.051823 P\n0.568580 0.273751 0.764563 P\n0.431420 0.726249 0.235437 P\n0.848995 0.524522 0.223726 N\n0.151005 0.475478 0.776274 N\n0.908599 0.469816 0.310677 O\n0.091401 0.530184 0.689323 O\n0.394944 0.828159 0.610226 O\n0.605056 0.171841 0.389774 O\n0.974094 0.158990 0.414168 O\n0.025906 0.841010 0.585832 O\n0.710886 0.037379 0.155892 O\n0.289114 0.962620 0.844108 O\n0.070030 0.135665 0.892630 O\n0.929970 0.864335 0.107370 O\n0.663327 0.847815 0.887053 O\n0.336673 0.152185 0.112947 O\n0.527607 0.711799 0.080540 O\n0.472393 0.288201 0.919460 O\n0.729996 0.198328 0.785007 O\n0.270004 0.801672 0.214993 O\n0.357795 0.111768 0.642226 O\n0.642205 0.888232 0.357774 O\n0.627935 0.434534 0.727040 O\n0.372065 0.565466 0.272960 O\n",
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]
}