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{
"id": "mp-752984",
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"structure_string": "Li4 Ni4 P4 O16\n1.0\n-4.875769 2.381206 0.340543\n-0.974181 -4.761303 6.429449\n3.901196 2.381378 6.089840\nLi Ni P O\n4 4 4 16\ndirect\n0.739365 0.760684 0.739352 Li\n0.239343 0.260719 0.239251 Li\n0.483241 0.516796 0.483252 Li\n0.983251 0.016783 0.983267 Li\n0.917736 0.523014 0.185427 Ni\n0.610843 0.948458 0.343039 Ni\n0.417593 0.023150 0.685382 Ni\n0.110736 0.448652 0.842798 Ni\n0.094034 0.770738 0.453594 P\n0.593995 0.270699 0.953647 P\n0.909108 0.226254 0.549399 P\n0.409193 0.726238 0.049409 P\n0.148486 0.212435 0.477566 O\n0.648659 0.712383 0.977675 O\n0.952001 0.687112 0.622711 O\n0.452025 0.187024 0.122782 O\n0.367491 0.840004 0.536338 O\n0.867464 0.339997 0.036317 O\n0.744434 0.048072 0.575684 O\n0.244294 0.548124 0.075509 O\n0.122540 0.622177 0.382933 O\n0.622489 0.122206 0.882879 O\n0.007933 0.247036 0.747696 O\n0.507876 0.747065 0.247697 O\n0.950991 0.939522 0.285973 O\n0.450888 0.439449 0.786017 O\n0.727855 0.381702 0.393112 O\n0.227961 0.881678 0.893119 O\n",
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{
"id": "mp-752985",
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"structure_string": "Li1 V3 O5 F1\n1.0\n5.116183 0.032806 -0.040788\n-2.586705 1.434864 4.678693\n2.529515 -4.442583 0.012127\nLi V O F\n1 3 5 1\ndirect\n0.860101 0.599668 0.889859 Li\n0.172623 0.439502 0.123412 V\n0.365602 0.056582 0.326802 V\n0.639003 0.965810 0.656193 V\n0.070834 0.211244 0.422139 O\n0.515750 0.759747 0.283271 O\n0.271202 0.760575 0.949476 O\n0.750702 0.237672 0.062155 O\n0.426970 0.239224 0.739098 O\n0.927210 0.729976 0.547592 F\n",
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"formula_full": "Li1 V3 O5 F1",
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"updated_at": "2021-11-28T01:35:51.377000Z",
"spacegroup": 1
},
{
"id": "mp-752986",
"created_at": "2022-09-04T14:45:20.499697Z",
"structure_string": "Li4 Cu1 Ni3 O8\n1.0\n-1.519296 5.363362 -0.000371\n-3.552832 -3.903191 -2.748577\n-4.940143 -1.399110 2.534591\nLi Cu Ni O\n4 1 3 8\ndirect\n0.499985 0.000005 0.499991 Li\n0.999995 0.000012 0.499988 Li\n0.500031 0.500089 0.999954 Li\n0.999948 0.499933 0.000026 Li\n0.000113 0.000001 0.000012 Cu\n0.500002 0.499985 0.500010 Ni\n0.000013 0.500016 0.499981 Ni\n0.499950 0.000000 0.000000 Ni\n0.726090 0.452159 0.300315 O\n0.273899 0.547844 0.699681 O\n0.253075 0.506128 0.267152 O\n0.746922 0.493872 0.732844 O\n0.758549 0.007064 0.773542 O\n0.248544 0.007044 0.773570 O\n0.751474 0.992964 0.226450 O\n0.241451 0.992927 0.226408 O\n",
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"elements": [
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"formula_full": "Li4 Cu1 Ni3 O8",
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{
"id": "mp-752987",
"created_at": "2022-09-04T14:39:49.098719Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.816864 0.000000 0.000000\n0.030260 5.831245 0.000000\n0.056533 1.425519 10.724853\nFe O F\n8 2 14\ndirect\n0.475983 0.853044 0.375022 Fe\n0.512797 0.378004 0.866947 Fe\n0.524017 0.146956 0.624978 Fe\n0.487203 0.621996 0.133053 Fe\n0.004753 0.127493 0.124531 Fe\n0.011491 0.387216 0.370721 Fe\n0.988509 0.612784 0.629279 Fe\n0.995247 0.872507 0.875469 Fe\n0.308812 0.615840 0.308428 O\n0.691188 0.384160 0.691572 O\n0.195095 0.338793 0.549259 F\n0.206821 0.103898 0.303279 F\n0.196040 0.601187 0.798264 F\n0.203301 0.855290 0.048757 F\n0.303752 0.350233 0.046353 F\n0.299597 0.084501 0.787676 F\n0.310500 0.857032 0.546841 F\n0.696248 0.649767 0.953647 F\n0.689500 0.142968 0.453159 F\n0.700403 0.915499 0.212324 F\n0.793179 0.896102 0.696721 F\n0.796699 0.144710 0.951243 F\n0.803960 0.398813 0.201736 F\n0.804905 0.661207 0.450741 F\n",
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{
"id": "mp-752988",
"created_at": "2022-09-04T14:41:12.909659Z",
"structure_string": "Li1 V3 O4 F8\n1.0\n5.439897 0.000000 0.000000\n-0.283297 5.831740 0.000000\n-1.644443 -1.674355 6.572934\nLi V O F\n1 3 4 8\ndirect\n0.207667 0.455166 0.619959 Li\n0.618107 0.170584 0.338502 V\n0.307478 0.638241 0.162466 V\n0.980547 0.015375 0.971042 V\n0.833990 0.064734 0.202978 O\n0.534646 0.400812 0.233471 O\n0.311108 0.951926 0.151023 O\n0.095963 0.295606 0.017135 O\n0.964204 0.672799 0.011763 F\n0.866349 0.309214 0.571926 F\n0.663678 0.988654 0.821145 F\n0.595336 0.807181 0.375214 F\n0.394501 0.212716 0.510107 F\n0.392619 0.566455 0.919581 F\n0.158273 0.605272 0.361933 F\n0.092374 0.884444 0.752005 F\n",
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"elements": [
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{
"id": "mp-752989",
"created_at": "2022-09-04T14:47:12.626458Z",
"structure_string": "Ti8 O13\n1.0\n5.204946 -3.896872 0.000000\n5.204946 3.896872 0.000000\n2.287412 0.000000 6.086446\nTi O\n8 13\ndirect\n0.943306 0.683996 0.123474 Ti\n0.723300 0.723300 0.723300 Ti\n0.683996 0.123474 0.943306 Ti\n0.876526 0.056694 0.316004 Ti\n0.123474 0.943306 0.683996 Ti\n0.316004 0.876526 0.056694 Ti\n0.276700 0.276700 0.276700 Ti\n0.056694 0.316004 0.876526 Ti\n0.000000 0.000000 0.000000 O\n0.830007 0.741633 0.420018 O\n0.959518 0.356383 0.203680 O\n0.741633 0.420018 0.830007 O\n0.796320 0.040482 0.643617 O\n0.643617 0.796320 0.040482 O\n0.420018 0.830007 0.741633 O\n0.579982 0.169993 0.258367 O\n0.356383 0.203680 0.959518 O\n0.203680 0.959518 0.356383 O\n0.258367 0.579982 0.169993 O\n0.040482 0.643617 0.796320 O\n0.169993 0.258367 0.579982 O\n",
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{
"id": "mp-752991",
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"structure_string": "Fe6 O6 F6\n1.0\n3.075154 0.000000 0.000000\n0.000000 4.802338 0.000000\n0.000000 1.130982 14.327913\nFe O F\n6 6 6\ndirect\n0.000000 0.941596 0.001132 Fe\n0.000000 0.992267 0.333378 Fe\n0.000000 0.026423 0.665316 Fe\n0.500000 0.470670 0.167142 Fe\n0.500000 0.509005 0.498767 Fe\n0.500000 0.565470 0.834186 Fe\n0.500000 0.800862 0.935550 O\n0.000000 0.720077 0.763996 O\n0.000000 0.669795 0.105059 O\n0.000000 0.700725 0.433471 O\n0.000000 0.314800 0.567113 O\n0.000000 0.280755 0.235127 O\n0.500000 0.795388 0.270902 F\n0.500000 0.829044 0.601022 F\n0.000000 0.309460 0.896275 F\n0.500000 0.189884 0.398558 F\n0.500000 0.212804 0.731715 F\n0.500000 0.170971 0.061291 F\n",
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{
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{
"id": "mp-752993",
"created_at": "2022-09-04T14:47:46.059170Z",
"structure_string": "Li4 Mn3 Ni3 W2 O16\n1.0\n2.939616 5.201700 0.000000\n-2.939616 5.201700 0.000000\n0.000000 0.224057 9.749394\nLi Mn Ni W O\n4 3 3 2 16\ndirect\n0.659718 0.659718 0.904905 Li\n0.997686 0.997686 0.985999 Li\n0.006972 0.006972 0.491797 Li\n0.339625 0.339625 0.413278 Li\n0.835090 0.339578 0.215459 Mn\n0.339578 0.835090 0.215459 Mn\n0.172486 0.172486 0.715172 Mn\n0.829041 0.829041 0.213342 Ni\n0.663574 0.171516 0.712264 Ni\n0.171516 0.663574 0.712264 Ni\n0.683206 0.683206 0.489273 W\n0.333568 0.333568 0.982008 W\n0.842662 0.348243 0.591866 O\n0.524804 0.524804 0.345290 O\n0.659424 0.659424 0.111715 O\n0.001822 0.001822 0.302727 O\n0.007406 0.007406 0.800756 O\n0.348243 0.842662 0.591866 O\n0.970255 0.522603 0.357368 O\n0.522603 0.970255 0.357368 O\n0.161772 0.161772 0.092073 O\n0.833847 0.833847 0.589569 O\n0.459540 0.032836 0.843454 O\n0.032836 0.459540 0.843454 O\n0.328939 0.328939 0.613043 O\n0.645462 0.152702 0.080754 O\n0.475589 0.475589 0.854617 O\n0.152702 0.645462 0.080754 O\n",
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{
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"structure_string": "Mn4 O2 F8\n1.0\n1.518894 -5.081450 0.000000\n1.518894 5.081450 0.000000\n0.000000 0.000000 12.118157\nMn O F\n4 2 8\ndirect\n0.916877 0.083123 0.199264 Mn\n0.748021 0.251979 0.907766 Mn\n0.251979 0.748021 0.407766 Mn\n0.083123 0.916877 0.699264 Mn\n0.677314 0.322686 0.761180 O\n0.322686 0.677314 0.261180 O\n0.818997 0.181003 0.050854 F\n0.872975 0.127025 0.443676 F\n0.525405 0.474595 0.149747 F\n0.630769 0.369231 0.364836 F\n0.369231 0.630769 0.864836 F\n0.474595 0.525405 0.649747 F\n0.181003 0.818997 0.550854 F\n0.127025 0.872975 0.943676 F\n",
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},
{
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"structure_string": "Fe6 O6 F6\n1.0\n3.024749 0.000000 0.000000\n0.000000 4.720824 0.000000\n0.000000 0.000000 14.018853\nFe O F\n6 6 6\ndirect\n0.500000 0.786480 0.995544 Fe\n0.500000 0.643229 0.333765 Fe\n0.500000 0.782036 0.667990 Fe\n0.000000 0.217964 0.167990 Fe\n0.000000 0.213520 0.495544 Fe\n0.000000 0.356771 0.833765 Fe\n0.000000 0.485813 0.269769 O\n0.000000 0.600730 0.931224 O\n0.500000 0.514187 0.769769 O\n0.500000 0.399270 0.431224 O\n0.500000 0.049582 0.564807 O\n0.000000 0.950418 0.064807 O\n0.000000 0.571156 0.604879 F\n0.500000 0.428844 0.104879 F\n0.500000 0.991880 0.235266 F\n0.500000 0.124081 0.896153 F\n0.000000 0.875919 0.396153 F\n0.000000 0.008120 0.735266 F\n",
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],
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"density": 4.5213824243688485,
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"formula_full": "Fe6 O6 F6",
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{
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"structure_string": "Mn8 O8 F8\n1.0\n4.597244 0.000000 0.000000\n0.173235 5.720396 0.000000\n0.175734 0.114482 10.333462\nMn O F\n8 8 8\ndirect\n0.997478 0.845695 0.387808 Mn\n0.001921 0.145136 0.630906 Mn\n0.030653 0.823927 0.889867 Mn\n0.010903 0.153864 0.134692 Mn\n0.510284 0.654705 0.117560 Mn\n0.504730 0.647476 0.617261 Mn\n0.532299 0.377042 0.862034 Mn\n0.500176 0.345625 0.362524 Mn\n0.210280 0.882352 0.547925 O\n0.228196 0.889033 0.048598 O\n0.211466 0.114892 0.298811 O\n0.295941 0.607706 0.781175 O\n0.736781 0.626841 0.961401 O\n0.745102 0.386528 0.701515 O\n0.710554 0.613165 0.451708 O\n0.715511 0.380676 0.201067 O\n0.245804 0.108860 0.794923 F\n0.251314 0.375618 0.524936 F\n0.247201 0.615884 0.270288 F\n0.266093 0.383613 0.019158 F\n0.780263 0.886585 0.728438 F\n0.773792 0.137221 0.961088 F\n0.756385 0.885598 0.227969 F\n0.736876 0.111956 0.478349 F\n",
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]
}