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{
"id": "mp-643666",
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"structure_string": "In2 H10 N2 O2 F8\n1.0\n-5.887768 0.000000 0.000000\n1.169214 6.231151 0.000000\n-0.155880 -2.424246 -6.408585\nIn H N O F\n2 10 2 2 8\ndirect\n0.565769 0.586171 0.276988 In\n0.434231 0.413829 0.723012 In\n0.243574 0.864748 0.439749 H\n0.756426 0.135252 0.560251 H\n0.105722 0.616787 0.282853 H\n0.894278 0.383213 0.717147 H\n0.040419 0.064796 0.815344 H\n0.959581 0.935204 0.184656 H\n0.879789 0.188073 0.029074 H\n0.120211 0.811927 0.970926 H\n0.791756 0.904511 0.866733 H\n0.208244 0.095489 0.133267 H\n0.933545 0.036084 0.934092 N\n0.066455 0.963916 0.065908 N\n0.253132 0.731975 0.306330 O\n0.746868 0.268025 0.693670 O\n0.862101 0.432462 0.215280 F\n0.137899 0.567538 0.784720 F\n0.376877 0.319322 0.008905 F\n0.623123 0.680678 0.991095 F\n0.782714 0.920514 0.365110 F\n0.217286 0.079486 0.634890 F\n0.615363 0.690146 0.616931 F\n0.384637 0.309854 0.383069 F\n",
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{
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"created_at": "2022-09-04T14:39:07.785273Z",
"structure_string": "Mg6 Cr1 Ni1 O8\n1.0\n8.443829 0.000000 0.000000\n0.000000 4.308377 0.000000\n0.000000 0.000000 4.308377\nMg Cr Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248373 0.000000 0.500000 Mg\n0.751627 0.000000 0.500000 Mg\n0.248373 0.500000 0.000000 Mg\n0.751627 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n0.252009 0.000000 0.000000 O\n0.747991 0.000000 0.000000 O\n0.250025 0.500000 0.500000 O\n0.749975 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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"formula_full": "Mg6 Cr1 Ni1 O8",
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{
"id": "mp-726397",
"created_at": "2022-09-04T14:41:57.542507Z",
"structure_string": "Mn8 Si4 H16 O24\n1.0\n5.412196 0.000000 0.000000\n0.000000 7.303111 0.000000\n0.000000 0.000000 12.887436\nMn Si H O\n8 4 16 24\ndirect\n0.999787 0.176248 0.687899 Mn\n0.499787 0.823752 0.312101 Mn\n0.499787 0.176248 0.812101 Mn\n0.999787 0.823752 0.187899 Mn\n0.978721 0.830476 0.458934 Mn\n0.478721 0.169524 0.541066 Mn\n0.478721 0.830476 0.041066 Mn\n0.978721 0.169524 0.958934 Mn\n0.185355 0.215123 0.314140 Si\n0.685355 0.784877 0.685860 Si\n0.685355 0.215123 0.185860 Si\n0.185355 0.784877 0.814140 Si\n0.749282 0.110270 0.381485 H\n0.249282 0.889730 0.618515 H\n0.249282 0.110270 0.118515 H\n0.749282 0.889730 0.881485 H\n0.351906 0.548466 0.183212 H\n0.851906 0.451534 0.816788 H\n0.851906 0.548466 0.316788 H\n0.351906 0.451534 0.683212 H\n0.298950 0.520183 0.434840 H\n0.798950 0.479817 0.565160 H\n0.798950 0.520183 0.065160 H\n0.298950 0.479817 0.934840 H\n0.472393 0.665555 0.499734 H\n0.972393 0.334445 0.500266 H\n0.972393 0.665555 0.000266 H\n0.472393 0.334445 0.999734 H\n0.173484 0.992094 0.317835 O\n0.673484 0.007906 0.682165 O\n0.673484 0.992094 0.182165 O\n0.173484 0.007906 0.817835 O\n0.674115 0.016536 0.425422 O\n0.174116 0.983464 0.574578 O\n0.174116 0.016536 0.074578 O\n0.674115 0.983464 0.925422 O\n0.347190 0.681989 0.177357 O\n0.847190 0.318011 0.822643 O\n0.847190 0.681989 0.322643 O\n0.347190 0.318011 0.677357 O\n0.334616 0.656915 0.446716 O\n0.834616 0.343085 0.553284 O\n0.834616 0.656915 0.053284 O\n0.334616 0.343085 0.946716 O\n0.227691 0.311897 0.426383 O\n0.727691 0.688103 0.573617 O\n0.727691 0.311897 0.073617 O\n0.227691 0.688103 0.926383 O\n0.908311 0.285190 0.268141 O\n0.408311 0.714810 0.731859 O\n0.408311 0.285190 0.231859 O\n0.908311 0.714810 0.768141 O\n",
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"formula_full": "Mn8 Si4 H16 O24",
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{
"id": "mp-1378434",
"created_at": "2022-09-04T14:45:17.111477Z",
"structure_string": "Zn4 Fe8 O16\n1.0\n2.921696 0.000000 0.000000\n0.000000 9.050414 0.000000\n0.000000 0.000000 10.372797\nZn Fe O\n4 8 16\ndirect\n0.750000 0.753392 0.653601 Zn\n0.250000 0.246608 0.346399 Zn\n0.750000 0.253392 0.846399 Zn\n0.250000 0.746608 0.153601 Zn\n0.750000 0.936545 0.880041 Fe\n0.250000 0.063455 0.119959 Fe\n0.750000 0.436545 0.619959 Fe\n0.250000 0.563455 0.380041 Fe\n0.750000 0.914486 0.400932 Fe\n0.250000 0.085514 0.599068 Fe\n0.750000 0.414486 0.099068 Fe\n0.250000 0.585514 0.900932 Fe\n0.750000 0.709410 0.326091 O\n0.250000 0.290590 0.673909 O\n0.750000 0.209410 0.173909 O\n0.250000 0.790590 0.826091 O\n0.750000 0.617238 0.033634 O\n0.250000 0.382762 0.966366 O\n0.750000 0.117238 0.466366 O\n0.250000 0.882762 0.533634 O\n0.750000 0.536889 0.788882 O\n0.250000 0.463111 0.211118 O\n0.750000 0.036889 0.711118 O\n0.250000 0.963111 0.288882 O\n0.750000 0.906262 0.072551 O\n0.250000 0.093738 0.927449 O\n0.750000 0.406262 0.427449 O\n0.250000 0.593738 0.572551 O\n",
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},
{
"id": "mp-867783",
"created_at": "2022-09-04T14:40:16.046607Z",
"structure_string": "Li6 Fe5 Cu1 O12\n1.0\n4.485290 2.579189 0.000000\n-4.485290 2.579189 0.000000\n0.000000 0.068643 10.160917\nLi Fe Cu O\n6 5 1 12\ndirect\n0.984742 0.662949 0.274811 Li\n0.662949 0.984743 0.274811 Li\n0.694122 0.694122 0.721797 Li\n0.305878 0.305878 0.278203 Li\n0.337051 0.015257 0.725189 Li\n0.015257 0.337051 0.725189 Li\n0.500000 0.500000 0.000000 Fe\n0.663455 0.336545 0.500000 Fe\n0.336545 0.663455 0.500000 Fe\n0.832486 0.167514 0.000000 Fe\n0.167514 0.832486 0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.843865 0.843865 0.894947 O\n0.841438 0.510235 0.101797 O\n0.510235 0.841438 0.101797 O\n0.992087 0.329292 0.388991 O\n0.329292 0.992087 0.388991 O\n0.635397 0.635397 0.379183 O\n0.364603 0.364603 0.620817 O\n0.670708 0.007913 0.611009 O\n0.007913 0.670708 0.611009 O\n0.489765 0.158562 0.898203 O\n0.158562 0.489765 0.898203 O\n0.156135 0.156135 0.105053 O\n",
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{
"id": "mp-505545",
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"structure_string": "Lu8 Fe4 B24\n1.0\n3.474441 0.000000 0.000000\n0.000000 8.968483 0.000000\n0.000000 0.000000 11.316746\nLu Fe B\n8 4 24\ndirect\n0.000000 0.823262 0.085424 Lu\n0.000000 0.176738 0.914576 Lu\n0.000000 0.323262 0.414576 Lu\n0.000000 0.676738 0.585424 Lu\n0.000000 0.443270 0.129324 Lu\n0.000000 0.556730 0.870676 Lu\n0.000000 0.943270 0.370676 Lu\n0.000000 0.056730 0.629324 Lu\n0.000000 0.138717 0.179224 Fe\n0.000000 0.861283 0.820776 Fe\n0.000000 0.638717 0.320776 Fe\n0.000000 0.361283 0.679224 Fe\n0.500000 0.054216 0.067146 B\n0.500000 0.945784 0.932854 B\n0.500000 0.554216 0.432854 B\n0.500000 0.445784 0.567146 B\n0.500000 0.247576 0.081042 B\n0.500000 0.752424 0.918958 B\n0.500000 0.747576 0.418958 B\n0.500000 0.252424 0.581042 B\n0.500000 0.291074 0.234279 B\n0.500000 0.708926 0.765721 B\n0.500000 0.791074 0.265721 B\n0.500000 0.208926 0.734279 B\n0.500000 0.132225 0.314629 B\n0.500000 0.867775 0.685371 B\n0.500000 0.632225 0.185371 B\n0.500000 0.367775 0.814629 B\n0.500000 0.484937 0.288317 B\n0.500000 0.515063 0.711683 B\n0.500000 0.984937 0.211683 B\n0.500000 0.015063 0.788317 B\n0.500000 0.106806 0.470643 B\n0.500000 0.893194 0.529357 B\n0.500000 0.606806 0.029357 B\n0.500000 0.393194 0.970643 B\n",
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"formula_full": "Lu8 Fe4 B24",
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{
"id": "mp-766095",
"created_at": "2022-09-04T14:45:18.859830Z",
"structure_string": "Li12 Mn4 O10 F4\n1.0\n6.018763 0.000000 0.000000\n0.000000 5.122555 0.000000\n0.000000 3.075797 9.531169\nLi Mn O F\n12 4 10 4\ndirect\n0.043707 0.203845 0.136836 Li\n0.490956 0.235398 0.142250 Li\n0.763584 0.817595 0.131105 Li\n0.971143 0.782055 0.367339 Li\n0.531967 0.771748 0.350099 Li\n0.225646 0.174922 0.369176 Li\n0.236416 0.817595 0.631105 Li\n0.956293 0.203845 0.636836 Li\n0.509044 0.235398 0.642250 Li\n0.774354 0.174922 0.869176 Li\n0.028857 0.782055 0.867339 Li\n0.468033 0.771748 0.850099 Li\n0.275602 0.734842 0.127542 Mn\n0.739338 0.267337 0.370203 Mn\n0.724398 0.734842 0.627542 Mn\n0.260662 0.267337 0.870203 Mn\n0.263574 0.499123 0.000253 O\n0.053550 0.989925 0.004133 O\n0.263116 0.948581 0.252207 O\n0.760613 0.051203 0.247955 O\n0.536305 0.522968 0.233363 O\n0.946450 0.989925 0.504133 O\n0.736426 0.499123 0.500253 O\n0.463695 0.522968 0.733363 O\n0.736884 0.948581 0.752207 O\n0.239387 0.051203 0.747955 O\n0.036744 0.477421 0.270639 F\n0.451852 0.023033 0.496901 F\n0.963256 0.477421 0.770639 F\n0.548148 0.023033 0.996901 F\n",
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"formula_full": "Li12 Mn4 O10 F4",
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"spacegroup": 7
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{
"id": "mp-510511",
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"structure_string": "Fe4 P4 H16 O24\n1.0\n9.921200 0.000000 0.000000\n0.000000 5.363734 0.000000\n0.000000 5.295564 8.835213\nFe P H O\n4 4 16 24\ndirect\n0.826387 0.901618 0.190740 Fe\n0.326387 0.098382 0.309260 Fe\n0.173613 0.098382 0.809260 Fe\n0.673613 0.901618 0.690740 Fe\n0.149096 0.727133 0.184497 P\n0.649096 0.272867 0.315503 P\n0.850904 0.272867 0.815503 P\n0.350904 0.727133 0.684497 P\n0.449409 0.597704 0.327905 H\n0.949409 0.402296 0.172095 H\n0.550591 0.402296 0.672095 H\n0.050591 0.597704 0.827905 H\n0.331370 0.255933 0.012219 H\n0.831370 0.744067 0.487781 H\n0.668630 0.744067 0.987781 H\n0.168630 0.255933 0.512219 H\n0.544270 0.877145 0.282489 H\n0.044270 0.122855 0.217511 H\n0.455730 0.122855 0.717511 H\n0.955730 0.877145 0.782489 H\n0.347638 0.542252 0.017617 H\n0.847638 0.457748 0.482383 H\n0.652362 0.457748 0.982383 H\n0.152362 0.542252 0.517617 H\n0.706290 0.583314 0.216497 O\n0.206290 0.416686 0.283503 O\n0.293710 0.416686 0.783503 O\n0.793710 0.583314 0.716497 O\n0.993801 0.709097 0.168606 O\n0.493801 0.290903 0.331394 O\n0.006199 0.290903 0.831394 O\n0.506199 0.709097 0.668606 O\n0.674124 0.100217 0.233432 O\n0.174124 0.899783 0.266568 O\n0.325876 0.899783 0.766568 O\n0.825876 0.100217 0.733432 O\n0.779619 0.119361 0.971495 O\n0.279619 0.880639 0.528505 O\n0.220381 0.880639 0.028505 O\n0.720381 0.119361 0.471495 O\n0.366170 0.332535 0.074492 O\n0.866170 0.667465 0.425508 O\n0.633830 0.667465 0.925508 O\n0.133830 0.332535 0.574492 O\n0.953149 0.209703 0.178929 O\n0.453149 0.790297 0.321071 O\n0.046851 0.790297 0.821071 O\n0.546851 0.209703 0.678929 O\n",
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