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{
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"updated_at": "2022-09-04T14:38:44.873661Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.812650 0.045363 0.216469\n-2.747493 5.132120 -0.014689\n-0.050221 -0.001415 9.688529\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.341239 0.681674 0.904635 Li\n0.980218 0.992914 0.993731 Li\n0.995097 0.991059 0.485354 Li\n0.680833 0.327257 0.404117 Li\n0.655408 0.832701 0.221632 Mn\n0.830899 0.661910 0.714369 Mn\n0.826368 0.161778 0.716864 Mn\n0.317658 0.637705 0.488142 Nb\n0.657101 0.343862 0.994873 Nb\n0.337928 0.166155 0.714349 Cu\n0.164424 0.831074 0.212582 Cu\n0.162138 0.336931 0.207674 Cu\n0.315226 0.193395 0.066749 O\n0.823717 0.667576 0.098734 O\n0.685800 0.346337 0.615174 O\n0.532549 0.046306 0.834620 O\n0.557206 0.532198 0.841271 O\n0.680984 0.845821 0.608335 O\n0.551864 0.566469 0.355807 O\n0.044174 0.483939 0.359405 O\n0.159146 0.313143 0.599569 O\n0.987821 0.986696 0.805527 O\n0.988361 0.003373 0.296591 O\n0.348139 0.672361 0.120024 O\n0.967059 0.476286 0.828853 O\n0.140548 0.804983 0.587553 O\n0.489614 0.966093 0.342616 O\n0.778493 0.130307 0.088690 O\n",
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{
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"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
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{
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"structure_string": "Li2 V6 Zn4 O16\n1.0\n5.940839 -0.067864 -0.000010\n-0.071988 8.308967 0.000068\n-0.000009 0.000048 5.880486\nLi V Zn O\n2 6 4 16\ndirect\n0.250003 0.374998 0.997600 Li\n0.750002 0.874998 0.497593 Li\n0.249995 0.874995 0.505751 V\n0.495277 0.119648 0.742017 V\n0.004717 0.630355 0.742049 V\n0.749996 0.374996 0.005752 V\n0.995280 0.619646 0.242001 V\n0.504714 0.130356 0.242041 V\n0.493264 0.753056 0.008854 Zn\n0.993260 0.253052 0.508857 Zn\n0.006736 0.996961 0.008850 Zn\n0.506742 0.496965 0.508853 Zn\n0.483215 0.896063 0.272484 O\n0.983217 0.396060 0.772488 O\n0.511548 0.363167 0.233772 O\n0.011547 0.863165 0.733769 O\n0.284091 0.127038 0.996517 O\n0.784107 0.627033 0.496515 O\n0.516787 0.353938 0.772479 O\n0.265205 0.118331 0.494691 O\n0.488446 0.886837 0.733757 O\n0.988447 0.386835 0.233760 O\n0.734775 0.131669 0.994690 O\n0.234775 0.631667 0.494687 O\n0.215937 0.622957 0.996512 O\n0.765204 0.618331 0.994689 O\n0.016788 0.853934 0.272473 O\n0.715921 0.122962 0.496514 O\n",
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"structure_string": "U8 H24\n1.0\n6.620843 0.000000 -0.000000\n-0.000000 6.620843 -0.000000\n-0.000000 -0.000000 6.620843\nU H\n8 24\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.250000 0.000000 0.500000 U\n0.750000 0.000000 0.500000 U\n0.000000 0.500000 0.250000 U\n0.000000 0.500000 0.750000 U\n0.500000 0.750000 0.000000 U\n0.500000 0.250000 0.000000 U\n0.696262 0.000000 0.844033 H\n0.155967 0.696262 0.000000 H\n0.000000 0.844033 0.696262 H\n0.000000 0.155967 0.696262 H\n0.803738 0.344033 0.500000 H\n0.655966 0.500000 0.196262 H\n0.344033 0.500000 0.196262 H\n0.696262 0.000000 0.155967 H\n0.196262 0.344033 0.500000 H\n0.000000 0.844033 0.303738 H\n0.844033 0.303738 0.000000 H\n0.303738 0.000000 0.155967 H\n0.844033 0.696262 0.000000 H\n0.155967 0.303738 0.000000 H\n0.500000 0.803738 0.655966 H\n0.655966 0.500000 0.803738 H\n0.344033 0.500000 0.803738 H\n0.196262 0.655966 0.500000 H\n0.803738 0.655966 0.500000 H\n0.500000 0.803738 0.344033 H\n0.500000 0.196262 0.655966 H\n0.000000 0.155967 0.303738 H\n0.303738 0.000000 0.844033 H\n0.500000 0.196262 0.344033 H\n",
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"structure_string": "Li4 V2 Fe2 P4 O16\n1.0\n0.000000 4.695802 -0.010845\n5.982753 0.000000 0.000000\n0.000000 -0.016414 -10.329699\nLi V Fe P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.515518 0.250000 0.221773 V\n0.484483 0.750000 0.778227 V\n0.025158 0.750000 0.276851 Fe\n0.974842 0.250000 0.723149 Fe\n0.423936 0.250000 0.909569 P\n0.917236 0.750000 0.595976 P\n0.082765 0.250000 0.404023 P\n0.576065 0.750000 0.090431 P\n0.292192 0.042319 0.838162 O\n0.292192 0.457681 0.838162 O\n0.777125 0.546595 0.668875 O\n0.777125 0.953405 0.668875 O\n0.244132 0.750000 0.599606 O\n0.205239 0.250000 0.542552 O\n0.794761 0.750000 0.457448 O\n0.250859 0.750000 0.087731 O\n0.222875 0.046595 0.331125 O\n0.222875 0.453405 0.331125 O\n0.707808 0.542319 0.161837 O\n0.707808 0.957681 0.161837 O\n0.749141 0.250000 0.912268 O\n0.289004 0.250000 0.047665 O\n0.755868 0.250000 0.400394 O\n0.710997 0.750000 0.952334 O\n",
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{
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"structure_string": "Fe2 H8 Br6 N2\n1.0\n0.000000 7.416255 0.018044\n6.089898 0.000000 0.000000\n0.000000 -3.691278 -6.433235\nFe H Br N\n2 8 6 2\ndirect\n0.000041 0.013181 0.000034 Fe\n0.999959 0.513181 0.999968 Fe\n0.466256 0.790166 0.800412 H\n0.334276 0.788665 0.533321 H\n0.334332 0.565657 0.667566 H\n0.199141 0.788778 0.665369 H\n0.800859 0.288778 0.334632 H\n0.665724 0.288665 0.466681 H\n0.665668 0.065657 0.332435 H\n0.533743 0.290166 0.199589 H\n0.202802 0.264922 0.874001 Br\n0.671092 0.264892 0.797126 Br\n0.125876 0.264908 0.328756 Br\n0.797197 0.764922 0.126001 Br\n0.328908 0.764892 0.202875 Br\n0.874124 0.764909 0.671246 Br\n0.666518 0.235833 0.333352 N\n0.333481 0.735833 0.666649 N\n",
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{
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"structure_string": "Li2 Cr5 Si4 O14\n1.0\n5.586271 -0.002785 0.002059\n-2.047790 7.227802 0.011386\n-0.130092 -3.363250 7.180166\nLi Cr Si O\n2 5 4 14\ndirect\n0.230289 0.107856 0.450076 Li\n0.769711 0.892145 0.549926 Li\n0.000000 0.000000 0.000000 Cr\n0.076434 0.383870 0.810374 Cr\n0.664681 0.574772 0.710238 Cr\n0.335320 0.425229 0.289764 Cr\n0.923566 0.616131 0.189628 Cr\n0.506763 0.774081 0.143591 Si\n0.205690 0.790239 0.602859 Si\n0.794311 0.209762 0.397142 Si\n0.493237 0.225919 0.856410 Si\n0.465491 0.983696 0.723823 O\n0.597363 0.672507 0.276228 O\n0.971664 0.812859 0.730240 O\n0.294295 0.588375 0.552599 O\n0.695825 0.770841 0.986078 O\n0.304175 0.229160 0.013923 O\n0.781813 0.355740 0.954794 O\n0.028337 0.187142 0.269761 O\n0.402637 0.327494 0.723774 O\n0.534510 0.016305 0.276178 O\n0.218188 0.644261 0.045207 O\n0.884525 0.167720 0.571593 O\n0.705705 0.411626 0.447402 O\n0.115475 0.832281 0.428408 O\n",
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"volume": 290.09878262359973,
"volume_molar": 6.988062813055839,
"formula_full": "Li2 Cr5 Si4 O14",
"formula_reduced": "Li2Cr5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy_above_hull": 3.569588016,
"spacegroup": 2
}
]
}