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{
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{
"id": "oqmd-694472",
"created_at": "2022-09-04T15:18:02.377276Z",
"updated_at": "2022-09-04T15:18:02.377302Z",
"structure_string": "Mo4 O11\n1.0\n-5.346585 -8.817168 -0.114096\n-2.687228 4.404291 0.142896\n1.895487 -0.096588 -4.480531\nMo O\n4 11\ndirect\n0.064230 0.845683 0.026887 Mo\n0.632084 0.909530 0.040763 Mo\n0.370088 0.066119 0.926398 Mo\n0.939829 0.159041 0.945327 Mo\n0.956756 0.590851 0.194626 O\n0.295440 0.979008 0.225747 O\n0.817073 0.002031 0.251096 O\n0.588201 0.167659 0.257761 O\n0.115924 0.253128 0.269846 O\n0.888259 0.751576 0.701540 O\n0.405527 0.789781 0.715029 O\n0.188412 0.994622 0.722194 O\n0.706407 0.018762 0.749294 O\n0.046502 0.411385 0.775680 O\n0.507492 0.481530 0.972583 O\n",
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"formula_full": "Mo4 O11",
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{
"id": "oqmd-694352",
"created_at": "2022-09-04T15:18:02.196860Z",
"updated_at": "2022-09-04T15:18:02.196889Z",
"structure_string": "Li8 Mn2 Ge2 O11\n1.0\n-5.076168 -8.670653 0.019004\n-2.504291 4.316083 0.041836\n1.760490 -0.010868 -4.742916\nGe Li Mn O\n2 8 2 11\ndirect\n0.084618 0.834583 0.000768 Ge\n0.593399 0.852096 0.961611 Ge\n0.752659 0.510202 0.001300 Li\n0.167541 0.648369 0.499789 Li\n0.699496 0.679365 0.500273 Li\n0.829582 0.327336 0.500749 Li\n0.002670 0.007861 0.502088 Li\n0.501178 0.044944 0.517735 Li\n0.309165 0.297785 0.531165 Li\n0.234260 0.495223 0.978918 Li\n0.922992 0.175635 0.000512 Mn\n0.412897 0.152731 0.004817 Mn\n0.968745 0.584916 0.220991 O\n0.763361 0.905226 0.226335 O\n0.606237 0.207282 0.230734 O\n0.291735 0.935381 0.237815 O\n0.119913 0.221585 0.240877 O\n0.702424 0.060956 0.743846 O\n0.041840 0.448166 0.757661 O\n0.390453 0.743304 0.762733 O\n0.893132 0.784128 0.770549 O\n0.529230 0.421516 0.788020 O\n0.215195 0.083602 0.795006 O\n",
"nsites": 23,
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"elements": [
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],
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"formula_full": "Li8 Mn2 Ge2 O11",
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{
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"created_at": "2022-09-04T15:18:02.318349Z",
"updated_at": "2022-09-04T15:18:02.318380Z",
"structure_string": "Pt2 O5\n1.0\n-2.731663 -4.757897 0.021996\n-2.213291 4.460241 -0.020318\n1.679430 0.124683 -4.297245\nO Pt\n5 2\ndirect\n0.579143 0.984332 0.256269 O\n0.179369 0.184653 0.262134 O\n0.055027 0.418336 0.744410 O\n0.435075 0.061851 0.748059 O\n0.785634 0.765325 0.751126 O\n0.829522 0.156175 0.994823 Pt\n0.170746 0.842681 0.997825 Pt\n",
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"elements": [
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"chemical_system": "O-Pt",
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"volume": 97.59430837092496,
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"formula_full": "Pt2 O5",
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"spacegroup": 1
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{
"id": "oqmd-694461",
"created_at": "2022-09-04T15:18:02.507824Z",
"updated_at": "2022-09-04T15:18:02.507858Z",
"structure_string": "V4 O11\n1.0\n-5.094462 -8.931504 0.052518\n-2.552281 4.467924 0.032885\n1.781283 -0.005124 -4.232479\nO V\n11 4\ndirect\n0.987130 0.573138 0.228077 O\n0.306256 0.033349 0.231616 O\n0.594621 0.173776 0.234017 O\n0.789571 0.976960 0.243166 O\n0.090894 0.176520 0.275507 O\n0.389229 0.771609 0.710592 O\n0.700180 0.011058 0.720742 O\n0.899011 0.806748 0.742592 O\n0.207721 0.053489 0.788110 O\n0.024282 0.436347 0.809571 O\n0.513624 0.445817 0.856201 O\n0.926544 0.159369 0.053706 V\n0.598046 0.863327 0.951465 V\n0.066939 0.836602 0.965088 V\n0.417913 0.100406 0.971419 V\n",
"nsites": 15,
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"elements": [
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"chemical_system": "O-V",
"density": 3.286468507992716,
"density_atomic": 0.07817413854118767,
"volume": 191.87931303006224,
"volume_molar": 7.703494879994246,
"formula_full": "V4 O11",
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{
"id": "oqmd-694492",
"created_at": "2022-09-04T15:18:02.714984Z",
"updated_at": "2022-09-04T15:18:02.715011Z",
"structure_string": "Tc4 O11\n1.0\n-5.108941 -9.036978 -0.020236\n-2.723442 4.619444 -0.036634\n1.751090 -0.023004 -4.370038\nO Tc\n11 4\ndirect\n0.286651 0.009661 0.220311 O\n0.450001 0.578972 0.227113 O\n0.990702 0.528912 0.229404 O\n0.777956 0.948359 0.234477 O\n0.590162 0.222360 0.247051 O\n0.207417 0.996971 0.716458 O\n0.044271 0.387650 0.752228 O\n0.697678 0.024711 0.762926 O\n0.418017 0.840282 0.767354 O\n0.520909 0.463163 0.777110 O\n0.946674 0.864234 0.884464 O\n0.576712 0.863248 0.087952 Tc\n0.091024 0.761591 0.942673 Tc\n0.419397 0.183580 0.945117 Tc\n0.891341 0.144136 0.971821 Tc\n",
"nsites": 15,
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"elements": [
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"density": 4.460820224168807,
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"volume": 211.43538247984517,
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"formula_full": "Tc4 O11",
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{
"id": "oqmd-694494",
"created_at": "2022-09-04T15:18:02.717739Z",
"updated_at": "2022-09-04T15:18:02.717771Z",
"structure_string": "Zr4 O11\n1.0\n-6.029331 -11.271693 0.062325\n-2.945699 5.601565 0.068161\n2.074377 0.004245 -2.912046\nO Zr\n11 4\ndirect\n0.058057 0.166894 0.140040 O\n0.252663 0.800575 0.153032 O\n0.975435 0.651922 0.299332 O\n0.668811 0.336851 0.328664 O\n0.823515 0.023703 0.335235 O\n0.792119 0.607716 0.609376 O\n0.666723 0.980932 0.656021 O\n0.502031 0.346692 0.672352 O\n0.416261 0.762638 0.797184 O\n0.262893 0.150228 0.835521 O\n0.091839 0.541679 0.859346 O\n0.924954 0.247403 0.046559 Zr\n0.116804 0.947463 0.091252 Zr\n0.402118 0.068042 0.936118 Zr\n0.583372 0.780035 0.973527 Zr\n",
"nsites": 15,
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"elements": [
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"Zr"
],
"chemical_system": "O-Zr",
"density": 4.66042616796707,
"density_atomic": 0.07783220302001857,
"volume": 192.72228483808914,
"volume_molar": 7.737338179225245,
"formula_full": "Zr4 O11",
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{
"id": "oqmd-694467",
"created_at": "2022-09-04T15:18:02.399507Z",
"updated_at": "2022-09-04T15:18:02.399545Z",
"structure_string": "Hf4 O11\n1.0\n-5.398077 -10.700931 -0.593979\n-2.889381 5.454607 -0.192593\n1.642108 -0.062668 -2.978261\nHf O\n4 11\ndirect\n0.426708 0.221681 0.011208 Hf\n0.083547 0.834548 0.057506 Hf\n0.565988 0.811283 0.825659 Hf\n0.928018 0.115946 0.963259 Hf\n0.139080 0.225911 0.026690 O\n0.915112 0.821207 0.138062 O\n0.455037 0.615097 0.197409 O\n0.278996 0.953786 0.324579 O\n0.769107 0.935417 0.344114 O\n0.975874 0.513494 0.391596 O\n0.054903 0.427779 0.633028 O\n0.544781 0.441075 0.663875 O\n0.757385 0.124616 0.672768 O\n0.189390 0.112284 0.735537 O\n0.528240 0.070211 0.994129 O\n",
"nsites": 15,
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{
"id": "oqmd-694446",
"created_at": "2022-09-04T15:18:02.453871Z",
"updated_at": "2022-09-04T15:18:02.453900Z",
"structure_string": "Fe2 O5\n1.0\n-2.460408 -4.391545 0.243536\n-2.424396 4.368452 0.232848\n2.112350 0.016112 -4.067278\nFe O\n2 5\ndirect\n0.806044 0.109044 0.970484 Fe\n0.188478 0.871186 0.983442 Fe\n0.238830 0.243926 0.253226 O\n0.642097 0.045340 0.273323 O\n0.363592 0.973882 0.700472 O\n0.733191 0.702793 0.740122 O\n0.036748 0.419313 0.821283 O\n",
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"density": 3.8530003734589195,
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"volume": 82.61191829929832,
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"formula_full": "Fe2 O5",
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"spacegroup": 1
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{
"id": "oqmd-694474",
"created_at": "2022-09-04T15:18:02.511058Z",
"updated_at": "2022-09-04T15:18:02.511095Z",
"structure_string": "Rh4 O11\n1.0\n-5.194050 -8.937511 0.022477\n-2.705968 4.533782 0.014958\n1.823507 -0.024392 -4.311381\nO Rh\n11 4\ndirect\n0.990065 0.566016 0.228987 O\n0.785379 0.963840 0.243864 O\n0.286193 0.988838 0.245913 O\n0.484624 0.595054 0.257009 O\n0.591484 0.198830 0.259058 O\n0.021812 0.390089 0.740706 O\n0.213916 0.040978 0.748570 O\n0.398160 0.804895 0.753867 O\n0.698299 0.018507 0.755573 O\n0.514485 0.417430 0.756692 O\n0.936941 0.868498 0.799250 O\n0.899152 0.155143 0.000409 Rh\n0.423716 0.188520 0.001130 Rh\n0.569385 0.824017 0.007303 Rh\n0.089054 0.784679 0.958809 Rh\n",
"nsites": 15,
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],
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"density_atomic": 0.07304016261714512,
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"formula_full": "Rh4 O11",
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{
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"created_at": "2022-09-04T15:18:02.586054Z",
"updated_at": "2022-09-04T15:18:02.586082Z",
"structure_string": "Co2 O5\n1.0\n-2.329011 -4.156350 0.028599\n-2.446211 4.223727 0.036155\n1.685351 -0.027152 -4.134692\nCo O\n2 5\ndirect\n0.137583 0.809318 0.009076 Co\n0.867298 0.172853 0.012212 Co\n0.572119 0.957228 0.204119 O\n0.939025 0.575429 0.242347 O\n0.236408 0.222142 0.242788 O\n0.795042 0.791543 0.755405 O\n0.033419 0.408665 0.761926 O\n",
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"formula_full": "Co2 O5",
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{
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"created_at": "2022-09-04T15:18:02.569973Z",
"updated_at": "2022-09-04T15:18:02.570001Z",
"structure_string": "Ti4 O11\n1.0\n-6.235134 -8.540223 -0.280419\n-2.687149 4.001902 0.080118\n1.884304 -0.005483 -3.193647\nO Ti\n11 4\ndirect\n0.078767 0.366073 0.035512 O\n0.400818 0.672937 0.043761 O\n0.306592 0.121618 0.225679 O\n0.806375 0.972468 0.328424 O\n0.572617 0.369991 0.366922 O\n0.051775 0.367931 0.398046 O\n0.152635 0.942151 0.530175 O\n0.404199 0.786493 0.723936 O\n0.558555 0.447605 0.755018 O\n0.679476 0.064569 0.762490 O\n0.911163 0.692534 0.792015 O\n0.613036 0.953646 0.162813 Ti\n0.370840 0.193812 0.804180 Ti\n0.869197 0.039261 0.905431 Ti\n0.104478 0.769954 0.918141 Ti\n",
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"formula_full": "Ti4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-694479",
"created_at": "2022-09-04T15:18:02.627872Z",
"updated_at": "2022-09-04T15:18:02.627899Z",
"structure_string": "Mn4 O11\n1.0\n-5.148787 -8.631910 0.198745\n-2.360464 4.190591 0.078648\n1.831712 0.055639 -4.165852\nMn O\n4 11\ndirect\n0.096933 0.763388 0.965909 Mn\n0.886779 0.123950 0.972327 Mn\n0.576786 0.868414 0.989904 Mn\n0.410999 0.190351 0.992053 Mn\n0.451863 0.620884 0.209738 O\n0.775297 0.929276 0.225347 O\n0.622039 0.291671 0.234023 O\n0.300368 0.980802 0.252802 O\n0.017335 0.535759 0.258022 O\n0.015962 0.345207 0.730144 O\n0.702287 0.057174 0.739873 O\n0.369169 0.765852 0.751389 O\n0.190954 0.040432 0.753705 O\n0.528813 0.428459 0.765283 O\n0.930121 0.809790 0.921107 O\n",
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"elements": [
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"density": 3.8208178800096664,
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"volume": 171.99223220307297,
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"formula_full": "Mn4 O11",
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"spacegroup": 1
}
]
}