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{
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{
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"structure_string": "Sr12 Al8 P4 O16 F40\n1.0\n7.227255 0.000000 0.000000\n0.000000 7.420097 0.000000\n0.000000 0.189189 20.731689\nSr Al P O F\n12 8 4 16 40\ndirect\n0.295007 0.773628 0.999398 Sr\n0.795007 0.226372 0.500602 Sr\n0.704993 0.226372 0.000602 Sr\n0.204993 0.773628 0.499398 Sr\n0.058104 0.493734 0.195175 Sr\n0.558104 0.506266 0.304825 Sr\n0.941896 0.506266 0.804825 Sr\n0.441896 0.493734 0.695175 Sr\n0.946829 0.983278 0.307857 Sr\n0.446829 0.016722 0.192143 Sr\n0.053171 0.016722 0.692143 Sr\n0.553171 0.983278 0.807857 Sr\n0.998356 0.973637 0.143892 Al\n0.498356 0.026363 0.356108 Al\n0.001644 0.026363 0.856108 Al\n0.501644 0.973637 0.643892 Al\n0.516803 0.474006 0.138690 Al\n0.016803 0.525994 0.361310 Al\n0.483197 0.525994 0.861310 Al\n0.983197 0.474006 0.638690 Al\n0.763023 0.719081 0.051350 P\n0.263023 0.280919 0.448650 P\n0.236977 0.280919 0.948650 P\n0.736977 0.719081 0.551350 P\n0.897769 0.751317 0.109514 O\n0.397769 0.248683 0.390486 O\n0.102231 0.248683 0.890486 O\n0.602231 0.751317 0.609514 O\n0.655185 0.541584 0.064636 O\n0.155185 0.458416 0.435364 O\n0.344815 0.458416 0.935364 O\n0.844815 0.541584 0.564636 O\n0.629356 0.871155 0.035896 O\n0.129356 0.128845 0.464104 O\n0.370644 0.128845 0.964104 O\n0.870644 0.871155 0.535896 O\n0.913046 0.689880 0.998903 O\n0.413046 0.310120 0.501097 O\n0.086954 0.310120 0.001097 O\n0.586954 0.689880 0.498903 O\n0.211330 0.947754 0.097214 F\n0.711330 0.052246 0.402786 F\n0.788670 0.052246 0.902786 F\n0.288670 0.947754 0.597214 F\n0.112230 0.828547 0.205582 F\n0.612230 0.171453 0.294418 F\n0.887770 0.171453 0.794418 F\n0.387770 0.828547 0.705582 F\n0.891134 0.113912 0.086671 F\n0.391134 0.886088 0.413329 F\n0.108866 0.886088 0.913329 F\n0.608866 0.113912 0.586671 F\n0.796397 0.977913 0.196798 F\n0.296397 0.022087 0.303202 F\n0.203603 0.022087 0.803202 F\n0.703603 0.977913 0.696798 F\n0.097250 0.161101 0.188205 F\n0.597250 0.838899 0.311795 F\n0.902750 0.838899 0.811795 F\n0.402750 0.161101 0.688205 F\n0.724890 0.421132 0.186166 F\n0.224890 0.578868 0.313834 F\n0.275110 0.578868 0.813834 F\n0.775110 0.421132 0.686166 F\n0.511135 0.247851 0.104694 F\n0.011135 0.752149 0.395306 F\n0.488865 0.752149 0.895306 F\n0.988865 0.247851 0.604694 F\n0.384754 0.380319 0.208456 F\n0.884754 0.619681 0.291544 F\n0.615246 0.619681 0.791544 F\n0.115246 0.380319 0.708456 F\n0.297821 0.540592 0.100073 F\n0.797821 0.459408 0.399927 F\n0.702179 0.459408 0.899927 F\n0.202179 0.540592 0.600073 F\n0.513472 0.690832 0.180086 F\n0.013472 0.309168 0.319914 F\n0.486528 0.309168 0.819914 F\n0.986528 0.690832 0.680086 F\n",
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"volume": 1111.7768999597063,
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"formula_full": "Sr12 Al8 P4 O16 F40",
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"spacegroup": 14
},
{
"id": "mp-28864",
"created_at": "2022-09-04T14:45:58.527487Z",
"structure_string": "Y6 Ir1 I10\n1.0\n7.757114 0.000000 0.000000\n-2.437055 9.400699 0.000000\n-1.183457 -3.318457 9.163276\nY Ir I\n6 1 10\ndirect\n0.115111 0.042417 0.757621 Y\n0.884889 0.957583 0.242379 Y\n0.969625 0.279372 0.082513 Y\n0.030375 0.720628 0.917487 Y\n0.350968 0.125836 0.167290 Y\n0.649032 0.874164 0.832710 Y\n0.000000 0.000000 0.000000 Ir\n0.350653 0.451587 0.272433 I\n0.649347 0.548413 0.727567 I\n0.258866 0.088083 0.462752 I\n0.741134 0.911917 0.537248 I\n0.085620 0.372223 0.821443 I\n0.914380 0.627777 0.178557 I\n0.453050 0.815484 0.090803 I\n0.546950 0.184516 0.909197 I\n0.781112 0.258184 0.345354 I\n0.218888 0.741816 0.654646 I\n",
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"density_atomic": 0.025441214073602007,
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"formula_full": "Y6 Ir1 I10",
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},
{
"id": "mp-1212879",
"created_at": "2022-09-04T14:45:58.539133Z",
"structure_string": "Dy4 Al24 Pd9\n1.0\n-7.344186 0.015306 -1.415742\n-3.684043 6.557128 -0.716000\n0.070222 0.016525 -13.246236\nDy Al Pd\n4 24 9\ndirect\n0.392950 0.168925 0.808816 Dy\n0.607050 0.831075 0.191184 Dy\n0.733916 0.497917 0.808532 Dy\n0.266084 0.502083 0.191468 Dy\n0.685198 0.833715 0.944979 Al\n0.314802 0.166285 0.055021 Al\n0.146202 0.833022 0.560606 Al\n0.853798 0.166978 0.439394 Al\n0.479261 0.166830 0.558404 Al\n0.520739 0.833170 0.441596 Al\n0.215549 0.165433 0.329596 Al\n0.784451 0.834567 0.670404 Al\n0.437050 0.506007 0.670436 Al\n0.562950 0.493993 0.329564 Al\n0.108922 0.159390 0.669532 Al\n0.891078 0.840610 0.330468 Al\n0.353292 0.499384 0.945170 Al\n0.646708 0.500616 0.054830 Al\n0.015482 0.167488 0.953586 Al\n0.984518 0.832512 0.046414 Al\n0.186714 0.499237 0.441207 Al\n0.813286 0.500763 0.558793 Al\n0.734249 0.163419 0.183047 Al\n0.265751 0.836581 0.816953 Al\n0.061646 0.631542 0.815406 Al\n0.938354 0.368458 0.184594 Al\n0.855138 0.041310 0.816091 Al\n0.144862 0.958690 0.183909 Al\n0.119913 0.493512 0.638049 Pd\n0.880087 0.506488 0.361951 Pd\n0.657150 0.170896 0.999683 Pd\n0.342850 0.829104 0.000317 Pd\n0.538975 0.166626 0.361629 Pd\n0.461025 0.833374 0.638371 Pd\n0.779212 0.173955 0.636956 Pd\n0.220788 0.826045 0.363044 Pd\n0.000000 0.500000 0.000000 Pd\n",
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},
{
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"structure_string": "Li12 Fe1 Ni3 P4 C4 O28\n1.0\n6.446846 0.000000 0.000000\n0.000000 8.377666 0.000000\n0.000000 0.794319 9.909994\nLi Fe Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.901653 0.618550 Li\n0.000000 0.904889 0.117795 Li\n0.229443 0.723573 0.876464 Li\n0.770557 0.723573 0.876464 Li\n0.230020 0.724679 0.377067 Li\n0.769980 0.724679 0.377067 Li\n0.728724 0.276595 0.623353 Li\n0.271276 0.276595 0.623353 Li\n0.727567 0.276458 0.122166 Li\n0.272433 0.276458 0.122166 Li\n0.500000 0.096871 0.882222 Li\n0.500000 0.097149 0.382832 Li\n0.000000 0.337277 0.390424 Fe\n0.500000 0.667272 0.604402 Ni\n0.500000 0.667784 0.103316 Ni\n0.000000 0.332676 0.896895 Ni\n0.000000 0.585759 0.641337 P\n0.000000 0.588379 0.138330 P\n0.500000 0.415005 0.860585 P\n0.500000 0.414214 0.360489 P\n0.500000 0.960757 0.648431 C\n0.500000 0.961032 0.148452 C\n0.000000 0.039361 0.851488 C\n0.000000 0.033468 0.352253 C\n0.500000 0.923428 0.524392 O\n0.000000 0.891942 0.821047 O\n0.500000 0.924164 0.024445 O\n0.500000 0.844287 0.743505 O\n0.000000 0.886573 0.320897 O\n0.500000 0.844388 0.243555 O\n0.187108 0.690531 0.589297 O\n0.812892 0.690531 0.589297 O\n0.187372 0.691973 0.085754 O\n0.812628 0.691973 0.085754 O\n0.500000 0.582336 0.914793 O\n0.000000 0.563095 0.798864 O\n0.500000 0.581591 0.415484 O\n0.000000 0.569880 0.295770 O\n0.500000 0.437572 0.702915 O\n0.000000 0.418176 0.586458 O\n0.500000 0.437399 0.202920 O\n0.000000 0.417761 0.088243 O\n0.312854 0.309345 0.912104 O\n0.687146 0.309345 0.912104 O\n0.685721 0.308689 0.412155 O\n0.314279 0.308689 0.412155 O\n0.000000 0.156074 0.756289 O\n0.500000 0.108419 0.679094 O\n0.000000 0.149458 0.255993 O\n0.000000 0.077251 0.975419 O\n0.500000 0.108694 0.179481 O\n0.000000 0.070282 0.475911 O\n",
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{
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{
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{
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{
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{
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{
"id": "mp-4194",
"created_at": "2022-09-04T14:45:58.558644Z",
"structure_string": "Zn2 Cr4 S8\n1.0\n0.000000 5.021637 5.021637\n5.021637 0.000000 5.021637\n5.021637 5.021637 0.000000\nZn Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.625000 0.625000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.864455 0.864455 0.406634 S\n0.864455 0.864455 0.864455 S\n0.843366 0.385545 0.385545 S\n0.385545 0.385545 0.843366 S\n0.385545 0.385545 0.385545 S\n0.406634 0.864455 0.864455 S\n0.864455 0.406634 0.864455 S\n0.385545 0.843366 0.385545 S\n",
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{
"id": "mp-1020646",
"created_at": "2022-09-04T14:45:58.563180Z",
"structure_string": "Na2 Li4 B2 P4 O16\n1.0\n-5.502868 0.000000 0.000000\n-0.350266 -7.475110 0.000000\n2.703149 1.752908 7.442790\nNa Li B P O\n2 4 2 4 16\ndirect\n0.253695 0.880738 0.741048 Na\n0.746305 0.119262 0.258952 Na\n0.309522 0.501352 0.858034 Li\n0.690478 0.498648 0.141966 Li\n0.855093 0.469823 0.597778 Li\n0.144907 0.530177 0.402222 Li\n0.748710 0.046028 0.765903 B\n0.251290 0.953972 0.234097 B\n0.621541 0.773839 0.452845 P\n0.378459 0.226161 0.547155 P\n0.854884 0.751556 0.945748 P\n0.145116 0.248444 0.054252 P\n0.967215 0.179874 0.851747 O\n0.032785 0.820126 0.148253 O\n0.501948 0.862187 0.283494 O\n0.498052 0.137813 0.716506 O\n0.012926 0.665859 0.825883 O\n0.987074 0.334141 0.174117 O\n0.800216 0.623929 0.403874 O\n0.199784 0.376071 0.596126 O\n0.723169 0.934041 0.890436 O\n0.276831 0.065959 0.109564 O\n0.645844 0.626957 0.945707 O\n0.354156 0.373043 0.054293 O\n0.801212 0.932581 0.606271 O\n0.198788 0.067419 0.393729 O\n0.414359 0.712783 0.513751 O\n0.585641 0.287217 0.486249 O\n",
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}
]
}