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{
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{
"id": "mp-1216518",
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{
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"structure_string": "Li1 Fe5 O4 F8\n1.0\n3.236733 -3.418980 0.000000\n3.236733 3.418980 0.000000\n0.000000 0.000000 9.182058\nLi Fe O F\n1 5 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.322896 Fe\n0.000000 0.000000 0.677104 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.822420 Fe\n0.500000 0.500000 0.177580 Fe\n0.298524 0.298524 0.333033 O\n0.298524 0.298524 0.666967 O\n0.701476 0.701476 0.333033 O\n0.701476 0.701476 0.666967 O\n0.191365 0.808635 0.500000 F\n0.199795 0.800205 0.836875 F\n0.199795 0.800205 0.163125 F\n0.308290 0.308290 0.000000 F\n0.691710 0.691710 0.000000 F\n0.800205 0.199795 0.163125 F\n0.800205 0.199795 0.836875 F\n0.808635 0.191365 0.500000 F\n",
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},
{
"id": "mp-1383360",
"created_at": "2022-09-04T14:46:10.137924Z",
"structure_string": "Li2 V2 O1 F5\n1.0\n5.190162 0.000000 0.000000\n-2.472466 4.598526 0.000000\n-0.119252 -3.021269 4.730373\nLi V O F\n2 2 1 5\ndirect\n0.653853 0.394758 0.889274 Li\n0.109280 0.840405 0.415753 Li\n0.854642 0.133280 0.552988 V\n0.329052 0.664704 0.026513 V\n0.966131 0.771457 0.759512 O\n0.441734 0.913766 0.283864 F\n0.732376 0.535632 0.265360 F\n0.251043 0.431274 0.763371 F\n0.594210 0.058765 0.782685 F\n0.067680 0.255964 0.260680 F\n",
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"formula_full": "Li2 V2 O1 F5",
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},
{
"id": "mp-2593",
"created_at": "2022-09-04T14:39:43.697088Z",
"structure_string": "Al1 Ni3\n1.0\n3.561084 0.000000 0.000000\n0.000000 3.561084 0.000000\n0.000000 0.000000 3.561084\nAl Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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"spacegroup": 221
},
{
"id": "mp-1181135",
"created_at": "2022-09-04T14:48:09.708569Z",
"structure_string": "Mn28 Si4 O48\n1.0\n8.632792 0.000000 -3.843467\n-1.711177 8.461499 -3.843466\n0.222721 0.272271 12.117023\nMn Si O\n28 4 48\ndirect\n0.746503 0.250000 0.500000 Mn\n0.145745 0.354255 0.750000 Mn\n0.250000 0.753497 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250000 0.253497 0.000000 Mn\n0.375000 0.125000 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.125000 0.375000 0.250000 Mn\n0.246503 0.250000 0.500000 Mn\n0.753497 0.750000 0.500000 Mn\n0.395745 0.104255 0.250000 Mn\n0.854255 0.645745 0.250000 Mn\n0.750000 0.746503 0.000000 Mn\n0.625000 0.875000 0.250000 Mn\n0.104255 0.854255 0.750000 Mn\n0.000000 0.500000 0.000000 Mn\n0.875000 0.625000 0.750000 Mn\n0.354255 0.604255 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.604255 0.895745 0.750000 Mn\n0.895745 0.145745 0.250000 Mn\n0.750000 0.246503 0.000000 Mn\n0.645745 0.395745 0.750000 Mn\n0.253497 0.750000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.856736 0.296483 0.412306 O\n0.474194 0.445153 0.160512 O\n0.151315 0.411418 0.116863 O\n0.411418 0.965547 0.616863 O\n0.203517 0.643264 0.087694 O\n0.554847 0.313682 0.339488 O\n0.588582 0.034453 0.383137 O\n0.034453 0.794556 0.883137 O\n0.054847 0.025806 0.339488 O\n0.525806 0.554847 0.839488 O\n0.974194 0.715360 0.160512 O\n0.884177 0.944431 0.087694 O\n0.356736 0.115823 0.412306 O\n0.205444 0.151315 0.616863 O\n0.944431 0.203517 0.587694 O\n0.465547 0.911418 0.116863 O\n0.703517 0.444431 0.087694 O\n0.313682 0.784640 0.839488 O\n0.965547 0.205444 0.116863 O\n0.848685 0.588582 0.883137 O\n0.088582 0.348685 0.383137 O\n0.643264 0.884177 0.587694 O\n0.534453 0.088582 0.883137 O\n0.215360 0.474194 0.660512 O\n0.445153 0.686318 0.660512 O\n0.444431 0.384177 0.587694 O\n0.186318 0.945153 0.160512 O\n0.715360 0.186318 0.660512 O\n0.794556 0.848685 0.383137 O\n0.651315 0.705444 0.116863 O\n0.296483 0.555569 0.912306 O\n0.384177 0.143264 0.087694 O\n0.555569 0.615823 0.412306 O\n0.945153 0.974194 0.660512 O\n0.055569 0.796483 0.412306 O\n0.294556 0.534453 0.383137 O\n0.284640 0.813682 0.339488 O\n0.348685 0.294556 0.883137 O\n0.143264 0.703517 0.587694 O\n0.115823 0.055569 0.912306 O\n0.705444 0.465547 0.616863 O\n0.025806 0.284640 0.839488 O\n0.615823 0.856736 0.912306 O\n0.813682 0.054847 0.839488 O\n0.911418 0.651315 0.616863 O\n0.796483 0.356736 0.912306 O\n0.686318 0.215360 0.160512 O\n0.784640 0.525806 0.339488 O\n",
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"elements": [
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],
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"volume": 903.1722491186883,
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"formula_full": "Mn28 Si4 O48",
"formula_reduced": "Mn7SiO12",
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"energy": -674.07935391,
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{
"id": "mp-764506",
"created_at": "2022-09-04T14:41:01.427651Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.235736 0.000000 0.000000\n0.065674 9.107199 0.000000\n0.134601 0.072276 10.180887\nLi Fe B O\n3 8 8 24\ndirect\n0.148426 0.178956 0.663365 Li\n0.186978 0.169757 0.159674 Li\n0.330165 0.334691 0.398892 Li\n0.161658 0.830145 0.629224 Fe\n0.182969 0.505540 0.125612 Fe\n0.329934 0.992106 0.877995 Fe\n0.332761 0.669369 0.374343 Fe\n0.654305 0.349413 0.630433 Fe\n0.669678 0.996329 0.130149 Fe\n0.830411 0.153970 0.384599 Fe\n0.830232 0.498062 0.883008 Fe\n0.151572 0.498497 0.622506 B\n0.162824 0.836834 0.131524 B\n0.340964 0.998609 0.376923 B\n0.335397 0.665318 0.876061 B\n0.672125 0.004353 0.633652 B\n0.678507 0.322655 0.125453 B\n0.827558 0.496488 0.375213 B\n0.819811 0.166494 0.876234 B\n0.093225 0.499009 0.344722 O\n0.078172 0.141017 0.857316 O\n0.222113 0.797398 0.827364 O\n0.240089 0.871374 0.434533 O\n0.206449 0.127988 0.369846 O\n0.175204 0.557995 0.923747 O\n0.279840 0.367498 0.601991 O\n0.305672 0.959497 0.081490 O\n0.257527 0.630861 0.575504 O\n0.292563 0.717621 0.182506 O\n0.420521 0.326009 0.144003 O\n0.405960 0.004738 0.670741 O\n0.583375 0.992002 0.321809 O\n0.590516 0.651548 0.876544 O\n0.708510 0.297303 0.840808 O\n0.717476 0.364553 0.416225 O\n0.679941 0.619610 0.367746 O\n0.667527 0.053261 0.928570 O\n0.821098 0.438842 0.076792 O\n0.813359 0.879146 0.638972 O\n0.782137 0.135471 0.593936 O\n0.816853 0.192430 0.160408 O\n0.906743 0.845098 0.126220 O\n0.917717 0.502254 0.684745 O\n",
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{
"id": "mp-1397660",
"created_at": "2022-09-04T14:46:24.994945Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.363157 0.000000 0.000000\n-0.827075 5.358798 0.000000\n-2.104256 -2.470218 6.285083\nZn Cr Si O\n2 2 2 10\ndirect\n0.292231 0.148343 0.770827 Zn\n0.734537 0.855991 0.277429 Zn\n0.000007 0.495870 0.510369 Cr\n0.007500 0.493683 0.010528 Cr\n0.674285 0.851376 0.767958 Si\n0.330086 0.133711 0.258573 Si\n0.756439 0.717570 0.948034 O\n0.843538 0.802227 0.607630 O\n0.255692 0.264587 0.075353 O\n0.145361 0.182019 0.406988 O\n0.658953 0.228902 0.399909 O\n0.313569 0.809431 0.156255 O\n0.342426 0.768176 0.638121 O\n0.702140 0.177793 0.877474 O\n0.924187 0.568737 0.263075 O\n0.087035 0.420330 0.764347 O\n",
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"formula_full": "Zn2 Cr2 Si2 O10",
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{
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"created_at": "2022-09-04T14:46:35.947550Z",
"structure_string": "Ga6 B6 H36\n1.0\n4.704034 6.971034 0.000000\n-4.704034 6.971034 0.000000\n0.000000 6.268402 8.262688\nGa B H\n6 6 36\ndirect\n0.677777 0.322223 0.250000 Ga\n0.322223 0.677777 0.750000 Ga\n0.699535 0.919817 0.790532 Ga\n0.080183 0.300465 0.709468 Ga\n0.300465 0.080183 0.209468 Ga\n0.919817 0.699535 0.290532 Ga\n0.842011 0.157989 0.750000 B\n0.157989 0.842011 0.250000 B\n0.716092 0.591356 0.989303 B\n0.408644 0.283908 0.510697 B\n0.283908 0.408644 0.010697 B\n0.591356 0.716092 0.489303 B\n0.842152 0.990010 0.843757 H\n0.009990 0.157848 0.656243 H\n0.157848 0.009990 0.156243 H\n0.990010 0.842152 0.343757 H\n0.758274 0.220061 0.662774 H\n0.779939 0.241726 0.837226 H\n0.241726 0.779939 0.337226 H\n0.220061 0.758274 0.162774 H\n0.588059 0.563347 0.127505 H\n0.436653 0.411941 0.372495 H\n0.411941 0.436653 0.872495 H\n0.563347 0.588059 0.627505 H\n0.882961 0.834593 0.136022 H\n0.165407 0.117039 0.363978 H\n0.117039 0.165407 0.863978 H\n0.834593 0.882961 0.636022 H\n0.991815 0.493878 0.374552 H\n0.506122 0.008185 0.125448 H\n0.008185 0.506122 0.625448 H\n0.493878 0.991815 0.874552 H\n0.185497 0.655903 0.704483 H\n0.344097 0.814503 0.795517 H\n0.814503 0.344097 0.295517 H\n0.655903 0.185497 0.204483 H\n0.471769 0.853750 0.477903 H\n0.146250 0.528231 0.022097 H\n0.528231 0.146250 0.522097 H\n0.853750 0.471769 0.977903 H\n0.616971 0.643212 0.403426 H\n0.356788 0.383029 0.096574 H\n0.383029 0.356788 0.596574 H\n0.643212 0.616971 0.903426 H\n0.727767 0.768537 0.465820 H\n0.231463 0.272233 0.034180 H\n0.272233 0.231463 0.534180 H\n0.768537 0.727767 0.965820 H\n",
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{
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