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{
"id": "oqmd-694264",
"created_at": "2022-09-04T15:18:00.546429Z",
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"structure_string": "Li8 Yb4 O11\n1.0\n-5.993116 -10.802243 -0.409206\n-3.006142 5.409627 -0.160694\n1.676607 -0.024480 -3.459797\nLi O Yb\n8 11 4\ndirect\n0.295576 0.627791 0.225203 Li\n0.808499 0.612507 0.249928 Li\n0.315576 0.320177 0.454334 Li\n0.660297 0.603784 0.481389 Li\n0.793733 0.314899 0.482944 Li\n0.161591 0.612817 0.501709 Li\n0.153668 0.276911 0.647035 Li\n0.629692 0.303191 0.674755 Li\n0.128083 0.251351 0.111419 O\n0.629019 0.246203 0.133594 O\n0.248799 0.895574 0.299632 O\n0.754984 0.891976 0.300977 O\n0.948372 0.505463 0.313786 O\n0.492885 0.402296 0.569098 O\n0.696344 0.977567 0.575769 O\n0.998367 0.403932 0.591771 O\n0.206344 0.005946 0.600260 O\n0.340492 0.666997 0.783068 O\n0.831982 0.667877 0.803216 O\n0.561107 0.812073 0.946976 Yb\n0.906083 0.110214 0.953109 Yb\n0.414666 0.121604 0.957881 Yb\n0.049913 0.805386 0.959430 Yb\n",
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{
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"created_at": "2022-09-04T15:18:00.550409Z",
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"structure_string": "Li8 Hg4 O11\n1.0\n-5.058726 -9.524436 0.255709\n-2.785752 4.911325 -0.263805\n1.684750 0.152082 -4.935923\nHg Li O\n4 8 11\ndirect\n0.079678 0.834296 0.000813 Hg\n0.570359 0.814677 0.008772 Hg\n0.425900 0.182276 0.018791 Hg\n0.916258 0.168915 0.968989 Hg\n0.758374 0.542700 0.051801 Li\n0.977843 0.984552 0.479406 Li\n0.840395 0.317222 0.485413 Li\n0.166724 0.664654 0.499125 Li\n0.290462 0.326146 0.504235 Li\n0.537619 0.053494 0.555917 Li\n0.684589 0.638169 0.560564 Li\n0.221641 0.448261 0.930242 Li\n0.794078 0.945922 0.224668 O\n0.129201 0.330009 0.236438 O\n0.966027 0.652864 0.270130 O\n0.295290 0.012750 0.280664 O\n0.625528 0.299011 0.289685 O\n0.710589 0.006456 0.679245 O\n0.033168 0.356229 0.703181 O\n0.875986 0.677604 0.723016 O\n0.365620 0.700304 0.746673 O\n0.216370 0.072444 0.762527 O\n0.552047 0.362877 0.766958 O\n",
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{
"id": "oqmd-694192",
"created_at": "2022-09-04T15:18:00.559926Z",
"updated_at": "2022-09-04T15:18:00.559963Z",
"structure_string": "Na4 Li8 O11\n1.0\n-5.519532 -9.784702 0.484755\n-2.689195 4.867160 0.424943\n2.410285 -0.066005 -4.618576\nLi Na O\n8 4 11\ndirect\n0.930909 0.849766 0.457170 Li\n0.436198 0.885625 0.493061 Li\n0.786436 0.240627 0.506986 Li\n0.304696 0.244639 0.532684 Li\n0.632602 0.606831 0.536582 Li\n0.138293 0.603764 0.545582 Li\n0.693191 0.423116 0.867624 Li\n0.220050 0.435874 0.906592 Li\n0.439276 0.198534 0.017626 Na\n0.583382 0.818663 0.966318 Na\n0.068896 0.859024 0.984176 Na\n0.927966 0.210121 0.998646 Na\n0.717409 0.429422 0.306914 O\n0.224277 0.443239 0.323427 O\n0.554524 0.782689 0.354903 O\n0.892876 0.109217 0.359091 O\n0.082462 0.812899 0.385010 O\n0.493308 0.303902 0.628913 O\n0.821470 0.653175 0.663952 O\n0.328283 0.646344 0.681391 O\n0.676162 0.034315 0.700962 O\n0.018835 0.361736 0.704600 O\n0.189869 0.042254 0.735771 O\n",
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"elements": [
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"formula_full": "Na4 Li8 O11",
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{
"id": "oqmd-694213",
"created_at": "2022-09-04T15:18:00.571763Z",
"updated_at": "2022-09-04T15:18:00.571803Z",
"structure_string": "Li8 Pt4 O11\n1.0\n-5.185642 -8.983799 -0.026186\n-2.567035 4.476929 -0.007070\n1.732620 0.001902 -4.725413\nLi O Pt\n8 11 4\ndirect\n0.750614 0.493703 0.002246 Li\n0.828236 0.331553 0.496898 Li\n0.998948 0.000000 0.497651 Li\n0.681153 0.663294 0.502841 Li\n0.173777 0.667572 0.503503 Li\n0.320096 0.314813 0.506892 Li\n0.504555 0.024574 0.514923 Li\n0.242638 0.501349 0.977111 Li\n0.119477 0.242294 0.237553 O\n0.785792 0.913162 0.237615 O\n0.963689 0.582194 0.239386 O\n0.294956 0.940004 0.239816 O\n0.615282 0.224855 0.241877 O\n0.541060 0.421343 0.751173 O\n0.377134 0.738820 0.752195 O\n0.036346 0.420702 0.760713 O\n0.882785 0.763217 0.760809 O\n0.710369 0.082825 0.762835 O\n0.213638 0.089772 0.765700 O\n0.914143 0.164815 0.000499 Pt\n0.573705 0.805264 0.003723 Pt\n0.424549 0.195958 0.004968 Pt\n0.085689 0.838019 0.999789 Pt\n",
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{
"id": "oqmd-694223",
"created_at": "2022-09-04T15:18:00.583694Z",
"updated_at": "2022-09-04T15:18:00.583737Z",
"structure_string": "Li8 Ru4 O11\n1.0\n-5.138781 -8.891248 0.012123\n-2.339430 4.311437 -0.029101\n1.644354 0.065112 -4.825952\nLi O Ru\n8 11 4\ndirect\n0.823991 0.324521 0.492822 Li\n0.995806 0.001286 0.494218 Li\n0.317231 0.315535 0.505542 Li\n0.181620 0.672296 0.508007 Li\n0.686676 0.674799 0.515158 Li\n0.506330 0.014742 0.521996 Li\n0.242136 0.501415 0.982089 Li\n0.745877 0.493228 0.989268 Li\n0.787268 0.922048 0.225545 O\n0.605933 0.198732 0.229425 O\n0.123270 0.240634 0.229578 O\n0.295169 0.939659 0.231609 O\n0.957567 0.589862 0.263884 O\n0.540961 0.413540 0.730632 O\n0.040838 0.416060 0.735809 O\n0.384042 0.750191 0.759847 O\n0.714066 0.082869 0.764024 O\n0.882857 0.774288 0.771713 O\n0.215112 0.081644 0.780711 O\n0.075369 0.804872 0.002375 Ru\n0.563247 0.773545 0.008201 Ru\n0.430503 0.230135 0.017367 Ru\n0.923522 0.203386 0.999784 Ru\n",
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{
"id": "oqmd-694215",
"created_at": "2022-09-04T15:18:00.589427Z",
"updated_at": "2022-09-04T15:18:00.589446Z",
"structure_string": "Li8 Pu4 O11\n1.0\n-5.741841 -10.167720 -0.114816\n-2.783047 5.032602 -0.056404\n1.816916 0.016372 -4.878824\nLi O Pu\n8 11 4\ndirect\n0.762082 0.506274 0.038090 Li\n0.192289 0.637416 0.469882 Li\n0.977656 0.989606 0.486905 Li\n0.829344 0.358168 0.498816 Li\n0.702802 0.632113 0.501902 Li\n0.282350 0.328392 0.539066 Li\n0.568494 0.134230 0.549007 Li\n0.219430 0.492080 0.956676 Li\n0.270725 0.880650 0.228761 O\n0.952615 0.574149 0.240868 O\n0.786060 0.889973 0.241566 O\n0.634489 0.248301 0.249037 O\n0.110709 0.232154 0.262880 O\n0.542990 0.414202 0.708780 O\n0.706414 0.078200 0.747129 O\n0.364492 0.733759 0.749468 O\n0.884987 0.767548 0.749850 O\n0.029859 0.411215 0.750408 O\n0.229006 0.151325 0.813401 O\n0.911384 0.162169 0.005006 Pu\n0.579406 0.809361 0.978039 Pu\n0.421941 0.147592 0.993105 Pu\n0.084352 0.840775 0.998355 Pu\n",
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{
"id": "oqmd-694175",
"created_at": "2022-09-04T15:18:00.625287Z",
"updated_at": "2022-09-04T15:18:00.625317Z",
"structure_string": "Li8 In4 O11\n1.0\n-5.386828 -9.230529 -0.069764\n-2.689661 4.612990 -0.000847\n1.794021 -0.016808 -4.818904\nIn Li O\n4 8 11\ndirect\n0.416693 0.167266 0.002392 In\n0.582401 0.833132 0.003236 In\n0.906573 0.160391 0.986166 In\n0.081245 0.812233 0.986865 In\n0.823864 0.338259 0.490638 Li\n0.670588 0.651109 0.499131 Li\n0.499606 0.996397 0.503975 Li\n0.175970 0.710799 0.511038 Li\n0.981542 0.964462 0.511753 Li\n0.351536 0.348117 0.515692 Li\n0.255304 0.504832 0.955216 Li\n0.748953 0.504649 0.996002 Li\n0.449932 0.580884 0.247957 O\n0.625562 0.252211 0.254208 O\n0.798985 0.927800 0.256856 O\n0.288462 0.929702 0.258025 O\n0.971978 0.589273 0.264040 O\n0.371906 0.747860 0.734744 O\n0.702401 0.077392 0.742250 O\n0.542445 0.417603 0.750603 O\n0.047483 0.399614 0.755672 O\n0.204784 0.089313 0.757375 O\n0.876981 0.747096 0.763009 O\n",
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"elements": [
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{
"id": "oqmd-694136",
"created_at": "2022-09-04T15:18:00.633099Z",
"updated_at": "2022-09-04T15:18:00.633133Z",
"structure_string": "Ba4 Li8 O11\n1.0\n-5.982902 -11.898163 -1.348337\n-3.022488 5.948591 -0.140215\n1.399397 -0.187354 -3.952504\nBa Li O\n4 8 11\ndirect\n0.928406 0.283286 0.023384 Ba\n0.558013 0.718900 0.077128 Ba\n0.403417 0.074375 0.169353 Ba\n0.116901 0.902817 0.771141 Ba\n0.739415 0.547473 0.019966 Li\n0.942234 0.933368 0.368222 Li\n0.736508 0.353229 0.492802 Li\n0.317217 0.424115 0.493654 Li\n0.214244 0.611839 0.508318 Li\n0.741932 0.740199 0.604637 Li\n0.549532 0.094095 0.681543 Li\n0.217124 0.456657 0.996217 Li\n0.652176 0.186640 0.060680 O\n0.170165 0.714585 0.185711 O\n0.792778 0.885190 0.235952 O\n0.129300 0.221787 0.321738 O\n0.896934 0.602731 0.400305 O\n0.389704 0.784193 0.603383 O\n0.080569 0.292562 0.609592 O\n0.597112 0.420156 0.627377 O\n0.878499 0.714714 0.723689 O\n0.693598 0.103820 0.760492 O\n0.324482 0.333297 0.946085 O\n",
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"elements": [
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{
"id": "oqmd-694146",
"created_at": "2022-09-04T15:18:00.692674Z",
"updated_at": "2022-09-04T15:18:00.692691Z",
"structure_string": "Li8 Ce4 O11\n1.0\n-5.579910 -12.456760 -0.240740\n-2.577589 6.137401 -0.486571\n1.279530 0.127321 -3.772874\nCe Li O\n4 8 11\ndirect\n0.415541 0.134466 0.063266 Ce\n0.575125 0.824733 0.165207 Ce\n0.082886 0.891758 0.884133 Ce\n0.909569 0.184018 0.913103 Ce\n0.786537 0.438461 0.039879 Li\n0.886605 0.835752 0.345486 Li\n0.200778 0.620228 0.464378 Li\n0.342437 0.430234 0.531651 Li\n0.797956 0.414159 0.535171 Li\n0.686791 0.600373 0.553458 Li\n0.579117 0.149572 0.684485 Li\n0.245874 0.505419 0.953686 Li\n0.180738 0.702964 0.004574 O\n0.320108 0.335684 0.007595 O\n0.633115 0.275301 0.242221 O\n0.778004 0.920989 0.315766 O\n0.151910 0.248964 0.324853 O\n0.954781 0.582310 0.332810 O\n0.057345 0.222514 0.515057 O\n0.509661 0.443559 0.620294 O\n0.399429 0.813594 0.654960 O\n0.708250 0.108806 0.762547 O\n0.860930 0.746483 0.826450 O\n",
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"elements": [
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],
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"density": 5.063489074798263,
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"formula_full": "Li8 Ce4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694234",
"created_at": "2022-09-04T15:18:00.693022Z",
"updated_at": "2022-09-04T15:18:00.693051Z",
"structure_string": "Li8 Sn4 O11\n1.0\n-5.322246 -9.075638 -0.003006\n-2.667889 4.541800 -0.005900\n1.801750 0.001051 -4.931821\nLi O Sn\n8 11 4\ndirect\n0.966205 0.931884 0.485872 Li\n0.499009 0.992528 0.496726 Li\n0.675044 0.657011 0.502462 Li\n0.353970 0.360007 0.507065 Li\n0.830068 0.334678 0.511113 Li\n0.168449 0.702922 0.514126 Li\n0.248096 0.502011 0.943916 Li\n0.747617 0.487100 0.982102 Li\n0.461551 0.581812 0.237419 O\n0.612211 0.225766 0.241419 O\n0.289795 0.938726 0.242495 O\n0.791175 0.923728 0.247594 O\n0.966495 0.580708 0.248391 O\n0.868132 0.735448 0.738342 O\n0.385390 0.769482 0.754413 O\n0.210231 0.084823 0.760414 O\n0.537215 0.419106 0.766737 O\n0.043032 0.441491 0.771398 O\n0.718673 0.076135 0.776796 O\n0.414955 0.167751 0.000712 Sn\n0.588817 0.837032 0.005487 Sn\n0.078660 0.850101 0.009424 Sn\n0.929470 0.168272 0.013912 Sn\n",
"nsites": 23,
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"elements": [
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],
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"formula_full": "Li8 Sn4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694221",
"created_at": "2022-09-04T15:18:00.643220Z",
"updated_at": "2022-09-04T15:18:00.643249Z",
"structure_string": "Li8 Rh4 O11\n1.0\n-5.112329 -8.856524 -0.009136\n-2.473224 4.380171 -0.009465\n1.693839 0.018954 -4.768516\nLi O Rh\n8 11 4\ndirect\n0.751973 0.495090 0.000261 Li\n0.832579 0.336919 0.496996 Li\n0.998249 0.999810 0.497962 Li\n0.169787 0.661488 0.501738 Li\n0.685951 0.665520 0.505017 Li\n0.315624 0.315383 0.510367 Li\n0.503742 0.026796 0.517917 Li\n0.237466 0.498831 0.975879 Li\n0.786738 0.913736 0.237051 O\n0.295563 0.941108 0.238362 O\n0.122582 0.246376 0.239380 O\n0.614227 0.218857 0.241360 O\n0.961614 0.583771 0.245487 O\n0.538037 0.419777 0.749040 O\n0.036792 0.419591 0.752134 O\n0.381631 0.752784 0.756520 O\n0.709139 0.070204 0.757694 O\n0.882100 0.761888 0.762105 O\n0.213566 0.088614 0.768877 O\n0.916185 0.169557 0.000479 Rh\n0.576891 0.809833 0.001303 Rh\n0.083702 0.834695 0.001855 Rh\n0.423228 0.188949 0.002690 Rh\n",
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"elements": [
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"Rh"
],
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"density": 5.050901021152699,
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"volume": 211.44044134965512,
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"formula_anonymous": "A4B8C11",
"formation_energy": -1.57165490107245,
"spacegroup": 1
},
{
"id": "oqmd-694157",
"created_at": "2022-09-04T15:18:00.646676Z",
"updated_at": "2022-09-04T15:18:00.646709Z",
"structure_string": "Li8 Er4 O11\n1.0\n-5.819912 -9.569005 0.005959\n-2.819241 4.730441 0.071441\n2.003379 -0.016166 -4.835405\nEr Li O\n4 8 11\ndirect\n0.910270 0.159627 0.046988 Er\n0.079070 0.767274 0.944067 Er\n0.417848 0.175968 0.995092 Er\n0.581585 0.836407 0.999832 Er\n0.214684 0.772093 0.475230 Li\n0.481406 0.990110 0.476095 Li\n0.369424 0.394432 0.482177 Li\n0.688295 0.660218 0.512678 Li\n0.960192 0.938727 0.527665 Li\n0.782508 0.291710 0.535321 Li\n0.251062 0.473564 0.890161 Li\n0.735836 0.498042 0.985645 Li\n0.441304 0.589662 0.215470 O\n0.294247 0.977766 0.244992 O\n0.617412 0.248392 0.265323 O\n0.785414 0.912185 0.273995 O\n0.006961 0.637195 0.304395 O\n0.371803 0.750684 0.712285 O\n0.200583 0.060766 0.735363 O\n0.540253 0.417683 0.744111 O\n0.875909 0.743410 0.791052 O\n0.722890 0.102548 0.797940 O\n0.047023 0.353490 0.799834 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Er",
"Li",
"O"
],
"chemical_system": "Er-Li-O",
"density": 5.704709474952319,
"density_atomic": 0.08774065480930338,
"volume": 262.1361790607613,
"volume_molar": 6.86356942866291,
"formula_full": "Li8 Er4 O11",
"formula_reduced": "Li8Er4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.58211469889853,
"spacegroup": 1
}
]
}