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{
"id": "mp-756771",
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"structure_string": "Li2 Si5 Ni5 O16\n1.0\n4.925553 0.000000 0.000000\n0.005948 7.007859 0.000000\n0.005705 0.133952 10.062078\nLi Si Ni O\n2 5 5 16\ndirect\n0.339835 0.503432 0.338168 Li\n0.817214 0.997463 0.143358 Li\n0.303574 0.987975 0.336236 Si\n0.179929 0.766008 0.592509 Si\n0.332920 0.741035 0.098514 Si\n0.685043 0.258590 0.909069 Si\n0.797490 0.232504 0.406814 Si\n0.191664 0.012504 0.855719 Ni\n0.195507 0.516473 0.847435 Ni\n0.696782 0.497873 0.644178 Ni\n0.817142 0.496040 0.151688 Ni\n0.689963 0.999504 0.661563 Ni\n0.293418 0.952772 0.669524 O\n0.212614 0.932838 0.184717 O\n0.230330 0.763256 0.943870 O\n0.849643 0.754120 0.606026 O\n0.658254 0.751150 0.117129 O\n0.265064 0.795709 0.431663 O\n0.303484 0.566167 0.651863 O\n0.208641 0.548520 0.164660 O\n0.723553 0.434934 0.340428 O\n0.805338 0.449942 0.831434 O\n0.354233 0.264284 0.882191 O\n0.735002 0.241746 0.565303 O\n0.121050 0.172221 0.381451 O\n0.771319 0.249097 0.064146 O\n0.624020 0.052689 0.339841 O\n0.796976 0.061157 0.840507 O\n",
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{
"id": "mp-756770",
"created_at": "2022-09-04T14:39:23.841141Z",
"structure_string": "U1 Nb6 O16\n1.0\n1.913571 11.377184 0.000000\n-1.913571 11.377184 0.000000\n0.000000 0.806821 7.393723\nU Nb O\n1 6 16\ndirect\n0.993210 0.006790 0.000000 U\n0.902984 0.951945 0.530793 Nb\n0.321704 0.413333 0.890836 Nb\n0.874639 0.682151 0.324226 Nb\n0.317849 0.125361 0.675774 Nb\n0.586667 0.678296 0.109164 Nb\n0.048055 0.097016 0.469207 Nb\n0.970532 0.001560 0.325275 O\n0.396737 0.445552 0.613528 O\n0.441767 0.446309 0.019761 O\n0.862566 0.922854 0.826886 O\n0.862712 0.855732 0.419857 O\n0.333129 0.256526 0.786332 O\n0.109227 0.538614 0.108312 O\n0.349310 0.182662 0.404672 O\n0.817338 0.650690 0.595328 O\n0.461386 0.890773 0.891688 O\n0.743474 0.666871 0.213668 O\n0.144268 0.137288 0.580143 O\n0.077146 0.137434 0.173114 O\n0.553691 0.558233 0.980239 O\n0.554448 0.603263 0.386472 O\n0.998440 0.029468 0.674725 O\n",
"nsites": 23,
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"elements": [
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"formula_full": "U1 Nb6 O16",
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},
{
"id": "mp-756769",
"created_at": "2022-09-04T14:42:28.382944Z",
"structure_string": "Na4 Tl2 P2 C2 O14\n1.0\n6.964914 0.000000 0.000000\n0.000000 5.258506 0.000000\n0.000000 0.003389 9.192886\nNa Tl P C O\n4 2 2 2 14\ndirect\n0.501562 0.227315 0.216852 Na\n0.998438 0.227315 0.216852 Na\n0.498438 0.772685 0.783148 Na\n0.001562 0.772685 0.783148 Na\n0.250000 0.766510 0.368210 Tl\n0.750000 0.233490 0.631790 Tl\n0.750000 0.715693 0.416112 P\n0.250000 0.284307 0.583888 P\n0.250000 0.729889 0.070080 C\n0.750000 0.270111 0.929920 C\n0.750000 0.296721 0.066839 O\n0.250000 0.952451 0.134120 O\n0.250000 0.528913 0.158434 O\n0.928453 0.822095 0.336201 O\n0.571547 0.822095 0.336201 O\n0.250000 0.206267 0.419976 O\n0.750000 0.414137 0.411691 O\n0.250000 0.585863 0.588309 O\n0.750000 0.793733 0.580024 O\n0.428453 0.177905 0.663799 O\n0.071547 0.177905 0.663799 O\n0.750000 0.471087 0.841566 O\n0.750000 0.047549 0.865880 O\n0.250000 0.703279 0.933161 O\n",
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"formula_full": "Na4 Tl2 P2 C2 O14",
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{
"id": "mp-756768",
"created_at": "2022-09-04T14:41:33.713768Z",
"structure_string": "Li6 Be2 P2 C2 O14\n1.0\n6.218033 0.000000 0.000000\n0.000000 4.782900 0.000000\n0.000000 0.400119 8.211432\nLi Be P C O\n6 2 2 2 14\ndirect\n0.750000 0.249684 0.879787 Li\n0.016969 0.774657 0.758218 Li\n0.483031 0.774657 0.758218 Li\n0.516969 0.225343 0.241782 Li\n0.983031 0.225343 0.241782 Li\n0.250000 0.750316 0.120213 Li\n0.250000 0.224701 0.636330 Be\n0.750000 0.775299 0.363670 Be\n0.750000 0.268384 0.573045 P\n0.250000 0.731616 0.426955 P\n0.250000 0.252938 0.947256 C\n0.750000 0.747062 0.052744 C\n0.250000 0.986790 0.928869 O\n0.750000 0.649354 0.907155 O\n0.250000 0.423546 0.818345 O\n0.945282 0.184939 0.681665 O\n0.554718 0.184939 0.681665 O\n0.750000 0.589913 0.534208 O\n0.250000 0.875255 0.592261 O\n0.750000 0.124745 0.407739 O\n0.250000 0.410087 0.465792 O\n0.445282 0.815061 0.318335 O\n0.054718 0.815061 0.318335 O\n0.750000 0.576454 0.181655 O\n0.250000 0.350646 0.092845 O\n0.750000 0.013210 0.071131 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.513356700741011,
"density_atomic": 0.10646580048979466,
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"formula_full": "Li6 Be2 P2 C2 O14",
"formula_reduced": "Li3BePCO7",
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},
{
"id": "mp-756767",
"created_at": "2022-09-04T14:45:56.164365Z",
"structure_string": "Li3 Fe1 Co4 O8\n1.0\n5.853016 0.000000 0.000000\n-0.000265 5.894982 0.000000\n-2.920462 -2.942875 4.272479\nLi Fe Co O\n3 1 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.726127 0.261196 0.477787 O\n0.753091 0.762891 0.014194 O\n0.253084 0.754287 0.996607 O\n0.265545 0.266968 0.502043 O\n0.734455 0.733032 0.497957 O\n0.746916 0.245713 0.003393 O\n0.246909 0.237109 0.985806 O\n0.273873 0.738804 0.522213 O\n",
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"formula_full": "Li3 Fe1 Co4 O8",
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},
{
"id": "mp-756766",
"created_at": "2022-09-04T14:42:28.620686Z",
"structure_string": "Mn3 Fe2 Sb3 O16\n1.0\n3.014739 5.292939 0.000000\n-3.014739 5.292939 0.000000\n0.000000 0.097873 9.137371\nMn Fe Sb O\n3 2 3 16\ndirect\n0.830225 0.830225 0.214003 Mn\n0.661783 0.166191 0.710290 Mn\n0.166191 0.661783 0.710290 Mn\n0.673919 0.673919 0.498528 Fe\n0.343748 0.343748 0.990598 Fe\n0.829572 0.334719 0.211531 Sb\n0.334719 0.829572 0.211531 Sb\n0.165427 0.165427 0.711753 Sb\n0.833374 0.331113 0.604265 O\n0.518928 0.518928 0.344179 O\n0.652965 0.652965 0.087585 O\n0.009991 0.009991 0.325972 O\n0.993247 0.993247 0.814129 O\n0.331113 0.833374 0.604265 O\n0.953692 0.520938 0.334989 O\n0.520938 0.953692 0.334989 O\n0.165507 0.165507 0.094975 O\n0.836429 0.836429 0.605331 O\n0.484126 0.045291 0.835012 O\n0.045291 0.484126 0.835012 O\n0.336976 0.336976 0.600595 O\n0.670918 0.165880 0.104472 O\n0.475527 0.475527 0.826941 O\n0.165880 0.670918 0.104472 O\n",
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},
{
"id": "mp-756765",
"created_at": "2022-09-04T14:42:03.073766Z",
"structure_string": "Ni1 Sn3 P4 O16\n1.0\n6.187075 0.000000 0.000000\n0.000000 5.078932 0.000000\n0.000000 0.049862 10.335951\nNi Sn P O\n1 3 4 16\ndirect\n0.500000 0.943867 0.272165 Ni\n0.500000 0.542677 0.783926 Sn\n0.000000 0.455014 0.217778 Sn\n0.000000 0.043092 0.718216 Sn\n0.000000 0.891591 0.386799 P\n0.000000 0.566159 0.917965 P\n0.500000 0.420622 0.099680 P\n0.500000 0.123684 0.594412 P\n0.000000 0.817346 0.527647 O\n0.195119 0.756666 0.312237 O\n0.804881 0.756666 0.312237 O\n0.500000 0.837205 0.647807 O\n0.500000 0.716824 0.113406 O\n0.198982 0.691223 0.842408 O\n0.801018 0.691223 0.842408 O\n0.000000 0.683585 0.056636 O\n0.500000 0.334261 0.954633 O\n0.697042 0.278124 0.169828 O\n0.302958 0.278124 0.169828 O\n0.000000 0.270307 0.919898 O\n0.000000 0.195825 0.368549 O\n0.689519 0.289021 0.661092 O\n0.310481 0.289021 0.661092 O\n0.500000 0.127875 0.449357 O\n",
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{
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"created_at": "2022-09-04T14:44:30.682764Z",
"structure_string": "Li4 V2 Cr4 O12\n1.0\n2.541058 4.416236 0.000239\n0.000207 0.000426 10.217064\n2.616971 -4.445008 -0.000134\nLi V Cr O\n4 2 4 12\ndirect\n0.148986 0.750030 0.499997 Li\n0.351015 0.249972 0.500008 Li\n0.648986 0.750021 0.500005 Li\n0.851013 0.249975 0.500014 Li\n0.499567 0.500004 0.999115 V\n0.999532 0.999998 0.999093 V\n0.665962 0.999999 0.331929 Cr\n0.834902 0.500007 0.669743 Cr\n0.165946 0.499998 0.331895 Cr\n0.334848 0.999997 0.669727 Cr\n0.186086 0.596610 0.999965 O\n0.313823 0.096563 0.999900 O\n0.686086 0.903439 0.999939 O\n0.813848 0.403393 0.999884 O\n0.009141 0.106392 0.340146 O\n0.991649 0.892583 0.659549 O\n0.167985 0.392568 0.659560 O\n0.491599 0.607403 0.659565 O\n0.330994 0.893612 0.340152 O\n0.509215 0.393619 0.340137 O\n0.830927 0.606389 0.340134 O\n0.667891 0.107428 0.659544 O\n",
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},
{
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"created_at": "2022-09-04T14:45:14.623232Z",
"structure_string": "Li3 Cr1 Co4 O8\n1.0\n2.914378 5.076735 0.000000\n-2.914378 5.076735 0.000000\n0.000000 3.348710 4.834976\nLi Cr Co O\n3 1 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.743323 0.743323 0.778664 O\n0.728909 0.243670 0.769753 O\n0.243670 0.728909 0.769753 O\n0.248924 0.248924 0.780585 O\n0.751076 0.751076 0.219415 O\n0.756330 0.271091 0.230247 O\n0.271091 0.756330 0.230247 O\n0.256677 0.256677 0.221336 O\n",
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{
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}