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{
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{
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{
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"created_at": "2022-09-04T14:47:26.718391Z",
"structure_string": "Cr8 Fe4 N4 O32\n1.0\n15.626247 0.000000 0.000000\n0.000000 5.611575 0.000000\n0.000000 5.463900 8.487081\nCr Fe N O\n8 4 4 32\ndirect\n0.117031 0.707149 0.038658 Cr\n0.382969 0.707149 0.538658 Cr\n0.882969 0.292851 0.961342 Cr\n0.617031 0.292851 0.461342 Cr\n0.080928 0.593808 0.639944 Cr\n0.419072 0.593808 0.139944 Cr\n0.919072 0.406192 0.360056 Cr\n0.580928 0.406192 0.860056 Cr\n0.945917 0.980720 0.760281 Fe\n0.554083 0.980720 0.260281 Fe\n0.054083 0.019280 0.239719 Fe\n0.445917 0.019280 0.739719 Fe\n0.293875 0.236422 0.001291 N\n0.206125 0.236422 0.501291 N\n0.706125 0.763578 0.998709 N\n0.793875 0.763578 0.498709 N\n0.161528 0.508892 0.756510 O\n0.338472 0.508892 0.256510 O\n0.838472 0.491108 0.243490 O\n0.661528 0.491108 0.743490 O\n0.811951 0.137649 0.097630 O\n0.688049 0.137649 0.597630 O\n0.188049 0.862351 0.902370 O\n0.311951 0.862351 0.402370 O\n0.980684 0.215119 0.041193 O\n0.519316 0.215119 0.541193 O\n0.019316 0.784881 0.958807 O\n0.480684 0.784881 0.458807 O\n0.113808 0.802256 0.450345 O\n0.386192 0.802256 0.950345 O\n0.886192 0.197744 0.549655 O\n0.613808 0.197744 0.049655 O\n0.125568 0.823936 0.162208 O\n0.374432 0.823936 0.662208 O\n0.874432 0.176064 0.837792 O\n0.625568 0.176064 0.337792 O\n0.133579 0.350643 0.141825 O\n0.366421 0.350643 0.641825 O\n0.866421 0.649357 0.858175 O\n0.633579 0.649357 0.358175 O\n0.010018 0.771349 0.679674 O\n0.489982 0.771349 0.179674 O\n0.989982 0.228651 0.320326 O\n0.510018 0.228651 0.820326 O\n0.034102 0.294929 0.671838 O\n0.465898 0.294929 0.171838 O\n0.965898 0.705071 0.328162 O\n0.534102 0.705071 0.828162 O\n",
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"formula_full": "Cr8 Fe4 N4 O32",
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},
{
"id": "mp-1213831",
"created_at": "2022-09-04T14:46:35.034942Z",
"structure_string": "Cr2 Fe1 N1 O10\n1.0\n2.772153 5.354881 0.000000\n-2.772153 5.354881 0.000000\n0.000000 3.084109 6.948021\nCr Fe N O\n2 1 1 10\ndirect\n0.393290 0.393290 0.284214 Cr\n0.606710 0.606710 0.715786 Cr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 N\n0.816443 0.816443 0.077032 O\n0.183557 0.183557 0.922968 O\n0.743854 0.231104 0.186632 O\n0.256146 0.768896 0.813368 O\n0.768896 0.256146 0.813368 O\n0.231104 0.743854 0.186632 O\n0.642385 0.642385 0.486675 O\n0.357615 0.357615 0.513325 O\n0.251612 0.251612 0.254702 O\n0.748388 0.748388 0.745298 O\n",
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"formula_full": "Cr2 Fe1 N1 O10",
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"spacegroup": 12
},
{
"id": "mp-1245508",
"created_at": "2022-09-04T14:46:41.393056Z",
"structure_string": "Cr2 Fe9 N8\n1.0\n7.915620 -0.241147 -0.264986\n1.045404 3.697803 0.000000\n1.478685 -0.418038 5.951822\nCr Fe N\n2 9 8\ndirect\n0.413081 0.793460 0.819441 Cr\n0.586919 0.206540 0.180559 Cr\n0.000000 0.500000 0.500000 Fe\n0.005393 0.997303 0.769396 Fe\n0.994607 0.002697 0.230604 Fe\n0.693857 0.653072 0.407236 Fe\n0.306143 0.346928 0.592764 Fe\n0.804988 0.597506 0.955158 Fe\n0.195012 0.402494 0.044842 Fe\n0.645855 0.177073 0.678676 Fe\n0.354145 0.822927 0.321324 Fe\n0.239639 0.880181 0.074621 N\n0.760361 0.119819 0.925379 N\n0.262035 0.868983 0.629977 N\n0.737965 0.131017 0.370023 N\n0.659895 0.670053 0.723826 N\n0.340105 0.329947 0.276174 N\n0.058497 0.470751 0.787913 N\n0.941503 0.529249 0.212087 N\n",
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"formula_full": "Cr2 Fe9 N8",
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},
{
"id": "mp-775014",
"created_at": "2022-09-04T14:47:19.532466Z",
"structure_string": "Cr2 Fe3 Te1 P6 O24\n1.0\n7.384647 -4.375168 0.000000\n7.384647 4.375168 0.000000\n4.792499 0.000000 7.120889\nCr Fe Te P O\n2 3 1 6 24\ndirect\n0.996936 0.996936 0.996936 Cr\n0.501385 0.501385 0.501385 Cr\n0.852028 0.852028 0.852028 Fe\n0.647504 0.647504 0.647504 Fe\n0.354087 0.354087 0.354087 Fe\n0.147555 0.147555 0.147555 Te\n0.945419 0.253603 0.558161 P\n0.558161 0.945419 0.253603 P\n0.742235 0.457680 0.048824 P\n0.457680 0.048824 0.742235 P\n0.048824 0.742235 0.457680 P\n0.253603 0.558161 0.945419 P\n0.897107 0.669118 0.502637 O\n0.669118 0.502637 0.897107 O\n0.933935 0.095463 0.752898 O\n0.502637 0.897107 0.669118 O\n0.974658 0.178351 0.410715 O\n0.749329 0.408318 0.571643 O\n0.752898 0.933935 0.095463 O\n0.571643 0.749329 0.408318 O\n0.822086 0.605240 0.004817 O\n0.408318 0.571643 0.749329 O\n0.898044 0.255258 0.057361 O\n0.605240 0.004817 0.822086 O\n0.410715 0.974658 0.178351 O\n0.095463 0.752898 0.933935 O\n0.591617 0.440212 0.248345 O\n0.178351 0.410715 0.974658 O\n0.440212 0.248345 0.591617 O\n0.255258 0.057361 0.898044 O\n0.248345 0.591617 0.440212 O\n0.004817 0.822086 0.605240 O\n0.501992 0.108739 0.316701 O\n0.057361 0.898044 0.255258 O\n0.316701 0.501992 0.108739 O\n0.108739 0.316701 0.501992 O\n",
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"formula_full": "Cr2 Fe3 Te1 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-1178427",
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"structure_string": "Cr2 Fe3 Sn1 P6 O24\n1.0\n7.403747 -4.335704 0.000000\n7.403747 4.335704 0.000000\n4.864719 0.000000 7.067412\nCr Fe Sn P O\n2 3 1 6 24\ndirect\n0.003226 0.003226 0.003226 Cr\n0.499194 0.499194 0.499194 Cr\n0.146648 0.146648 0.146648 Fe\n0.353453 0.353453 0.353453 Fe\n0.645459 0.645459 0.645459 Fe\n0.854952 0.854952 0.854952 Sn\n0.953060 0.542044 0.254218 P\n0.254218 0.953060 0.542044 P\n0.542044 0.254218 0.953060 P\n0.449780 0.747343 0.049243 P\n0.747343 0.049243 0.449780 P\n0.049243 0.449780 0.747343 P\n0.503923 0.319512 0.107769 O\n0.107769 0.503923 0.319512 O\n0.254193 0.909390 0.062863 O\n0.319512 0.107769 0.503923 O\n0.603425 0.815362 0.015894 O\n0.435277 0.589320 0.246633 O\n0.909390 0.062863 0.254193 O\n0.589320 0.246633 0.435277 O\n0.994546 0.391241 0.181296 O\n0.246633 0.435277 0.589320 O\n0.939725 0.744218 0.092612 O\n0.181296 0.994546 0.391241 O\n0.815362 0.015894 0.603425 O\n0.062863 0.254193 0.909390 O\n0.753969 0.559845 0.410176 O\n0.015894 0.603425 0.815362 O\n0.410176 0.753969 0.559845 O\n0.092612 0.939725 0.744218 O\n0.559845 0.410176 0.753969 O\n0.391241 0.181296 0.994546 O\n0.683172 0.890046 0.496973 O\n0.744218 0.092612 0.939725 O\n0.890046 0.496973 0.683172 O\n0.496973 0.683172 0.890046 O\n",
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"formula_full": "Cr2 Fe3 Sn1 P6 O24",
"formula_reduced": "Cr2Fe3Sn(PO4)6",
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"energy": -285.5525428,
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},
{
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"created_at": "2022-09-04T14:45:14.564281Z",
"structure_string": "Cr8 Fe12 Si12 O48\n1.0\n-5.923258 5.923258 5.923258\n5.923258 -5.923258 5.923258\n5.923258 5.923258 -5.923258\nCr Fe Si O\n8 12 12 48\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.875000 0.625000 0.250000 Fe\n0.625000 0.250000 0.875000 Fe\n0.875000 0.750000 0.625000 Fe\n0.750000 0.625000 0.875000 Fe\n0.250000 0.875000 0.625000 Fe\n0.625000 0.875000 0.750000 Fe\n0.125000 0.375000 0.750000 Fe\n0.375000 0.750000 0.125000 Fe\n0.125000 0.250000 0.375000 Fe\n0.250000 0.375000 0.125000 Fe\n0.750000 0.125000 0.375000 Fe\n0.375000 0.125000 0.250000 Fe\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.691800 0.087264 0.709216 O\n0.104535 0.982583 0.691800 O\n0.709216 0.517417 0.621952 O\n0.621952 0.709216 0.517417 O\n0.878048 0.395465 0.087264 O\n0.087264 0.878048 0.395465 O\n0.982583 0.691800 0.104535 O\n0.412736 0.104535 0.621952 O\n0.395465 0.808200 0.517417 O\n0.982583 0.790784 0.878048 O\n0.104535 0.621952 0.412736 O\n0.517417 0.395465 0.808200 O\n0.790784 0.878048 0.982583 O\n0.709216 0.691800 0.087264 O\n0.087264 0.709216 0.691800 O\n0.621952 0.412736 0.104535 O\n0.790784 0.412736 0.808200 O\n0.808200 0.517417 0.395465 O\n0.808200 0.790784 0.412736 O\n0.878048 0.982583 0.790784 O\n0.412736 0.808200 0.790784 O\n0.395465 0.087264 0.878048 O\n0.691800 0.104535 0.982583 O\n0.517417 0.621952 0.709216 O\n0.308200 0.912736 0.290784 O\n0.895465 0.017417 0.308200 O\n0.290784 0.482583 0.378048 O\n0.378048 0.290784 0.482583 O\n0.121952 0.604535 0.912736 O\n0.912736 0.121952 0.604535 O\n0.017417 0.308200 0.895465 O\n0.587264 0.895465 0.378048 O\n0.604535 0.191800 0.482583 O\n0.017417 0.209216 0.121952 O\n0.895465 0.378048 0.587264 O\n0.482583 0.604535 0.191800 O\n0.209216 0.121952 0.017417 O\n0.290784 0.308200 0.912736 O\n0.912736 0.290784 0.308200 O\n0.378048 0.587264 0.895465 O\n0.209216 0.587264 0.191800 O\n0.191800 0.482583 0.604535 O\n0.191800 0.209216 0.587264 O\n0.121952 0.017417 0.209216 O\n0.587264 0.191800 0.209216 O\n0.604535 0.912736 0.121952 O\n0.308200 0.895465 0.017417 O\n0.482583 0.378048 0.290784 O\n",
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"volume": 831.2696802513555,
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"formula_full": "Cr8 Fe12 Si12 O48",
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