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{
"id": "mp-765632",
"created_at": "2022-09-04T14:40:26.038881Z",
"structure_string": "Li7 Mn11 O24\n1.0\n2.887130 5.185925 0.000000\n-2.887130 5.185925 0.000000\n0.000000 0.279089 14.588588\nLi Mn O\n7 11 24\ndirect\n0.520705 0.520705 0.356224 Li\n0.479295 0.479295 0.643776 Li\n0.500000 0.500000 0.500000 Li\n0.842222 0.842222 0.044374 Li\n0.828034 0.828034 0.301222 Li\n0.171966 0.171966 0.698778 Li\n0.157778 0.157778 0.955626 Li\n0.837056 0.837056 0.659500 Mn\n0.500000 0.000000 0.500000 Mn\n0.334596 0.334596 0.167860 Mn\n0.162944 0.162944 0.340500 Mn\n0.338456 0.838145 0.166874 Mn\n0.000000 0.500000 0.500000 Mn\n0.838145 0.338456 0.166874 Mn\n0.665404 0.665404 0.832140 Mn\n0.500000 0.500000 0.000000 Mn\n0.661544 0.161855 0.833126 Mn\n0.161855 0.661544 0.833126 Mn\n0.646997 0.136577 0.585080 O\n0.678188 0.678188 0.578962 O\n0.321812 0.321812 0.421038 O\n0.178211 0.178211 0.567228 O\n0.353003 0.863423 0.414920 O\n0.863423 0.353003 0.414920 O\n0.207506 0.660982 0.091257 O\n0.014583 0.461637 0.244084 O\n0.136577 0.646997 0.585080 O\n0.020528 0.020528 0.247814 O\n0.821789 0.821789 0.432772 O\n0.155400 0.155400 0.093497 O\n0.514770 0.514770 0.234995 O\n0.661301 0.661301 0.094597 O\n0.844600 0.844600 0.906503 O\n0.538363 0.985417 0.755916 O\n0.660982 0.207506 0.091257 O\n0.339018 0.792494 0.908743 O\n0.792494 0.339018 0.908743 O\n0.461637 0.014583 0.244084 O\n0.338699 0.338699 0.905403 O\n0.485230 0.485230 0.765005 O\n0.979472 0.979472 0.752186 O\n0.985417 0.538363 0.755916 O\n",
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},
{
"id": "mp-1212601",
"created_at": "2022-09-04T14:40:25.981463Z",
"structure_string": "Na3 W6 N2 O31\n1.0\n10.322641 0.669631 2.470363\n5.160256 8.623594 1.939143\n1.985982 -0.415220 8.625714\nNa W N O\n3 6 2 31\ndirect\n0.500000 0.000000 0.000000 Na\n0.640580 0.214160 0.103010 Na\n0.359420 0.785840 0.896990 Na\n0.100317 0.337463 0.267886 W\n0.899683 0.662537 0.732114 W\n0.257878 0.323755 0.556068 W\n0.742122 0.676245 0.443932 W\n0.104343 0.650975 0.314909 W\n0.895657 0.349025 0.685091 W\n0.792764 0.194454 0.331995 N\n0.207236 0.805546 0.668005 N\n0.451596 0.436351 0.887139 O\n0.548404 0.563649 0.112861 O\n0.286738 0.196257 0.367851 O\n0.713262 0.803743 0.632149 O\n0.128356 0.229031 0.671623 O\n0.871644 0.770969 0.328377 O\n0.144462 0.506363 0.170140 O\n0.855538 0.493637 0.829860 O\n0.836652 0.095108 0.233238 O\n0.163348 0.904892 0.766762 O\n0.667606 0.333158 0.351748 O\n0.332394 0.666842 0.648252 O\n0.140956 0.215624 0.112902 O\n0.859044 0.784376 0.887098 O\n0.194692 0.753164 0.170606 O\n0.805308 0.246836 0.829394 O\n0.363226 0.212055 0.184706 O\n0.636774 0.787945 0.815294 O\n0.297767 0.460362 0.370413 O\n0.702233 0.539638 0.629587 O\n0.547173 0.662413 0.170999 O\n0.452827 0.337587 0.829001 O\n0.131384 0.485482 0.720410 O\n0.868616 0.514518 0.279590 O\n0.000000 0.500000 0.500000 O\n0.245673 0.110039 0.984315 O\n0.754327 0.889961 0.015685 O\n0.017196 0.741028 0.530673 O\n0.982804 0.258972 0.469327 O\n0.449665 0.188050 0.577381 O\n0.550335 0.811950 0.422619 O\n",
"nsites": 42,
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"elements": [
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],
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"density_atomic": 0.0598862807662462,
"volume": 701.3292437367813,
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"formula_full": "Na3 W6 N2 O31",
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"spacegroup": 2
},
{
"id": "mp-1178074",
"created_at": "2022-09-04T14:40:25.982751Z",
"structure_string": "Li15 Fe15 Si1 O32\n1.0\n6.686662 0.000000 0.000000\n-0.021718 10.630382 0.000000\n-0.014703 -0.085634 10.677618\nLi Fe Si O\n15 15 1 32\ndirect\n0.754759 0.904641 0.899451 Li\n0.495526 0.905277 0.650287 Li\n0.514320 0.838279 0.167383 Li\n0.249731 0.660859 0.658072 Li\n0.253329 0.599682 0.166758 Li\n0.998147 0.593360 0.410633 Li\n0.002521 0.662195 0.894604 Li\n0.501409 0.339572 0.095182 Li\n0.499534 0.403410 0.594132 Li\n0.750885 0.403313 0.841185 Li\n0.750054 0.341800 0.341772 Li\n0.000871 0.158895 0.839024 Li\n0.996543 0.093762 0.339215 Li\n0.248476 0.093519 0.096004 Li\n0.249130 0.159285 0.594677 Li\n0.246349 0.910028 0.909493 Fe\n0.996485 0.904629 0.659339 Fe\n0.244814 0.833495 0.398889 Fe\n0.746998 0.657591 0.663543 Fe\n0.500993 0.661567 0.910329 Fe\n0.751952 0.595973 0.165235 Fe\n0.500923 0.586551 0.415125 Fe\n0.000736 0.408937 0.590739 Fe\n0.252678 0.404559 0.838013 Fe\n0.003889 0.338225 0.092146 Fe\n0.248645 0.338376 0.339570 Fe\n0.501097 0.157639 0.840652 Fe\n0.749306 0.160750 0.593582 Fe\n0.499302 0.091716 0.338454 Fe\n0.755408 0.089372 0.089965 Fe\n0.000132 0.845757 0.155308 Si\n0.468814 0.916341 0.332701 O\n0.791391 0.908250 0.098630 O\n0.207794 0.899297 0.087508 O\n0.019147 0.890439 0.302596 O\n0.016184 0.842862 0.831167 O\n0.232501 0.845286 0.577576 O\n0.752550 0.829377 0.617041 O\n0.486489 0.833949 0.854097 O\n0.263099 0.659469 0.349025 O\n0.989376 0.692975 0.116179 O\n0.514031 0.660957 0.089700 O\n0.739666 0.634709 0.336078 O\n0.739393 0.597519 0.836767 O\n0.505959 0.593667 0.593642 O\n0.990708 0.587413 0.602721 O\n0.261356 0.584087 0.850073 O\n0.764873 0.417480 0.148513 O\n0.489307 0.406401 0.404072 O\n0.009608 0.400003 0.412619 O\n0.240196 0.403331 0.168397 O\n0.238325 0.344050 0.667187 O\n0.013428 0.342370 0.913699 O\n0.490474 0.329115 0.902139 O\n0.762626 0.332740 0.655247 O\n0.989433 0.167820 0.155567 O\n0.258318 0.166687 0.399992 O\n0.738644 0.154534 0.415124 O\n0.515952 0.149641 0.164524 O\n0.509700 0.097999 0.669348 O\n0.742072 0.094414 0.912724 O\n0.259804 0.088138 0.905442 O\n0.988040 0.084862 0.655943 O\n",
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"volume": 758.9840013975701,
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"formula_full": "Li15 Fe15 Si1 O32",
"formula_reduced": "Li15Fe15SiO32",
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"spacegroup": 1
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{
"id": "mp-1031896",
"created_at": "2022-09-04T14:40:25.987830Z",
"structure_string": "Hf1 Mg6 Ni1 O8\n1.0\n9.178854 0.000000 0.000000\n0.000000 4.284951 0.000000\n0.000000 0.000000 4.284951\nHf Mg Ni O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.226677 0.000000 0.500000 Mg\n0.773323 0.000000 0.500000 Mg\n0.226677 0.500000 0.000000 Mg\n0.773323 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.274298 0.000000 0.000000 O\n0.725702 0.000000 0.000000 O\n0.244336 0.500000 0.500000 O\n0.755664 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 168.5311490820282,
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"formula_full": "Hf1 Mg6 Ni1 O8",
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{
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{
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{
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{
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{
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