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{
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{
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"structure_string": "Sn4 O11\n1.0\n-6.407245 -10.414860 -1.408308\n-2.064964 4.401064 0.001674\n1.354925 -0.042888 -3.424940\nO Sn\n11 4\ndirect\n0.489209 0.377704 0.099796 O\n0.251101 0.791206 0.101376 O\n0.755007 0.853968 0.216890 O\n0.970272 0.513693 0.242602 O\n0.528662 0.259424 0.387985 O\n0.211622 0.321889 0.464321 O\n0.021188 0.447261 0.562626 O\n0.470701 0.766586 0.711064 O\n0.252961 0.191398 0.733033 O\n0.714866 0.184210 0.774500 O\n0.956480 0.885908 0.799621 O\n0.107198 0.900745 0.018158 Sn\n0.602982 0.939705 0.213326 Sn\n0.355206 0.933973 0.644398 Sn\n0.849760 0.062295 0.782291 Sn\n",
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{
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"structure_string": "Na8 Sn4 O11\n1.0\n-5.645751 -9.686852 0.022893\n-2.759068 4.806921 0.002297\n1.909180 0.016351 -5.471834\nNa O Sn\n8 11 4\ndirect\n0.998241 0.995053 0.496532 Na\n0.829411 0.336632 0.497846 Na\n0.677988 0.660321 0.498732 Na\n0.170918 0.659570 0.500388 Na\n0.501222 0.024503 0.510533 Na\n0.316670 0.319883 0.513072 Na\n0.246899 0.501230 0.992414 Na\n0.750092 0.495652 0.995951 Na\n0.788518 0.934649 0.211934 O\n0.970380 0.572188 0.212347 O\n0.105154 0.208301 0.215898 O\n0.284607 0.934858 0.216776 O\n0.606555 0.195195 0.219753 O\n0.532952 0.430584 0.758214 O\n0.713665 0.057606 0.782122 O\n0.028408 0.423102 0.783250 O\n0.898187 0.793589 0.784286 O\n0.210640 0.059092 0.784990 O\n0.397587 0.804223 0.788863 O\n0.421793 0.188897 0.010664 Sn\n0.584219 0.825485 0.989679 Sn\n0.084484 0.832276 0.998650 Sn\n0.917129 0.166152 0.999233 Sn\n",
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{
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"structure_string": "B4 O12\n1.0\n2.379502 -0.017442 -0.075559\n-0.045891 8.566753 0.096040\n-1.383826 0.113654 7.466449\nB O\n4 12\ndirect\n0.643229 0.630038 0.181744 B\n0.116115 0.258089 0.280087 B\n0.055181 0.239987 0.699878 B\n0.693846 0.870264 0.848423 B\n0.986216 0.172550 0.100804 O\n0.086185 0.591628 0.101572 O\n0.087158 0.078088 0.253810 O\n0.730649 0.782943 0.294322 O\n0.655464 0.324234 0.332151 O\n0.789957 0.643194 0.389085 O\n0.548899 0.848935 0.642247 O\n0.531687 0.163757 0.670536 O\n0.049405 0.418988 0.672153 O\n0.612709 0.713004 0.744054 O\n0.167214 0.365713 0.848555 O\n0.249667 0.910277 0.926988 O\n",
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{
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"created_at": "2022-09-04T15:19:15.060163Z",
"updated_at": "2022-09-04T15:19:15.060184Z",
"structure_string": "Na8 Cu4 O11\n1.0\n-5.363927 -9.138596 0.156582\n-2.729324 4.596907 0.021881\n1.930618 0.021980 -5.252389\nCu Na O\n4 8 11\ndirect\n0.410320 0.143975 0.014629 Cu\n0.919469 0.164619 0.980901 Cu\n0.579261 0.831543 0.987299 Cu\n0.083631 0.826331 0.993479 Cu\n0.752789 0.507335 0.000000 Na\n0.256499 0.507963 0.008386 Na\n0.657826 0.656780 0.476643 Na\n0.987570 0.006075 0.487744 Na\n0.833466 0.357856 0.490970 Na\n0.180553 0.664011 0.498320 Na\n0.305671 0.287039 0.522388 Na\n0.519576 0.054044 0.543113 Na\n0.979081 0.565867 0.181991 O\n0.093653 0.180222 0.191335 O\n0.590439 0.183948 0.200659 O\n0.759120 0.924026 0.208831 O\n0.311412 0.960804 0.230521 O\n0.405772 0.753751 0.759614 O\n0.735392 0.082942 0.772501 O\n0.886119 0.807141 0.774855 O\n0.048509 0.475691 0.778233 O\n0.219888 0.058991 0.823327 O\n0.515173 0.419100 0.843844 O\n",
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{
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"created_at": "2022-09-04T15:19:14.624022Z",
"updated_at": "2022-09-04T15:19:14.624035Z",
"structure_string": "Na11 B4 O12\n1.0\n3.821159 -0.013156 -0.001134\n-0.038424 10.064165 -0.002333\n-1.863981 0.004616 9.099420\nB Na O\n4 11 12\ndirect\n0.793512 0.673546 0.238487 B\n0.226840 0.177215 0.271083 B\n0.791880 0.824278 0.741234 B\n0.193860 0.327703 0.746005 B\n0.281197 0.438086 0.105674 Na\n0.110232 0.914505 0.128149 Na\n0.890609 0.416774 0.358767 Na\n0.753347 0.976395 0.377257 Na\n0.476447 0.736833 0.458319 Na\n0.525012 0.257859 0.542965 Na\n0.093928 0.591233 0.637135 Na\n0.276734 0.011297 0.641628 Na\n0.726585 0.518773 0.884727 Na\n0.889624 0.128425 0.896913 Na\n0.477882 0.761557 0.959265 Na\n0.773608 0.582702 0.124083 O\n0.069461 0.135603 0.134198 O\n0.650461 0.801844 0.211728 O\n0.354945 0.305664 0.298756 O\n0.943283 0.638604 0.382732 O\n0.260590 0.087541 0.388808 O\n0.043987 0.370369 0.605125 O\n0.768117 0.897223 0.612646 O\n0.642997 0.695570 0.731298 O\n0.334053 0.200871 0.765428 O\n0.210583 0.413971 0.862275 O\n0.944703 0.878257 0.877152 O\n",
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{
"id": "oqmd-711402",
"created_at": "2022-09-04T15:19:24.977032Z",
"updated_at": "2022-09-04T15:19:24.977056Z",
"structure_string": "Na8 Zn4 O11\n1.0\n-5.497857 -9.342617 0.083756\n-2.779571 4.688900 0.076958\n1.989658 -0.024150 -5.322107\nNa O Zn\n8 11 4\ndirect\n0.250220 0.491015 0.005843 Na\n0.677660 0.685033 0.444184 Na\n0.998484 0.998855 0.489190 Na\n0.170108 0.643966 0.492772 Na\n0.831359 0.350152 0.495574 Na\n0.315660 0.301934 0.539043 Na\n0.507480 0.059726 0.539745 Na\n0.754474 0.510684 0.986647 Na\n0.783379 0.957124 0.184636 O\n0.973583 0.567852 0.196851 O\n0.105701 0.188244 0.212737 O\n0.594824 0.193140 0.222612 O\n0.301653 0.948833 0.238901 O\n0.708259 0.059265 0.745258 O\n0.891401 0.804130 0.762357 O\n0.401474 0.767863 0.766623 O\n0.034450 0.437047 0.782720 O\n0.217757 0.041548 0.808677 O\n0.515585 0.437585 0.888541 O\n0.405828 0.113454 0.010357 Zn\n0.594947 0.865722 0.967995 Zn\n0.917408 0.168620 0.979108 Zn\n0.083222 0.825897 0.999615 Zn\n",
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{
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"created_at": "2022-09-04T15:19:27.920409Z",
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"structure_string": "Na8 Ga4 O11\n1.0\n-5.412411 -9.299319 0.125026\n-2.758587 4.679927 0.070559\n1.982244 -0.013816 -5.339386\nGa Na O\n4 8 11\ndirect\n0.600490 0.882066 0.972596 Ga\n0.919158 0.163333 0.982743 Ga\n0.400668 0.097473 0.997242 Ga\n0.083373 0.832994 0.998579 Ga\n0.253115 0.491317 0.005261 Na\n0.684672 0.683044 0.437421 Na\n0.167174 0.644498 0.487265 Na\n0.001719 0.997327 0.491468 Na\n0.831761 0.342883 0.499407 Na\n0.504680 0.042593 0.520931 Na\n0.315674 0.311948 0.543259 Na\n0.750951 0.505035 0.983556 Na\n0.793841 0.960237 0.188045 O\n0.971954 0.569497 0.189575 O\n0.105519 0.198199 0.210142 O\n0.599280 0.183738 0.215836 O\n0.299002 0.962150 0.230999 O\n0.705701 0.041803 0.750650 O\n0.397309 0.784534 0.768671 O\n0.896089 0.796462 0.770707 O\n0.032537 0.427900 0.793215 O\n0.209517 0.036894 0.796430 O\n0.512437 0.465159 0.929830 O\n",
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{
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"structure_string": "Na8 Fe4 O11\n1.0\n-5.419200 -9.279196 0.058623\n-2.728075 4.650789 0.064048\n1.937471 -0.021945 -5.324930\nFe Na O\n4 8 11\ndirect\n0.081240 0.832853 0.007107 Fe\n0.598943 0.872861 0.962576 Fe\n0.924193 0.175599 0.993659 Fe\n0.402982 0.106656 0.995409 Fe\n0.251690 0.488474 0.005758 Na\n0.688421 0.691165 0.448230 Na\n0.165274 0.636663 0.495696 Na\n0.000677 0.000863 0.496133 Na\n0.832389 0.346209 0.498396 Na\n0.502181 0.050817 0.525189 Na\n0.316424 0.308557 0.537763 Na\n0.750081 0.506864 0.985590 Na\n0.792842 0.965872 0.182264 O\n0.968046 0.556424 0.198599 O\n0.590207 0.187349 0.205651 O\n0.109881 0.200272 0.221785 O\n0.301611 0.956422 0.222791 O\n0.699865 0.046786 0.740493 O\n0.393048 0.774668 0.770902 O\n0.899259 0.811834 0.783919 O\n0.026990 0.412060 0.798905 O\n0.220370 0.039915 0.807275 O\n0.513266 0.440885 0.887399 O\n",
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{
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"created_at": "2022-09-04T15:19:29.802985Z",
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"structure_string": "Na8 Ge4 O11\n1.0\n-5.541245 -9.143114 0.024839\n-2.733389 4.551940 0.071836\n1.959027 -0.033198 -5.350400\nGe Na O\n4 8 11\ndirect\n0.396934 0.140270 0.031730 Ge\n0.608111 0.877846 0.960148 Ge\n0.925693 0.173087 0.996747 Ge\n0.076376 0.815420 0.999550 Ge\n0.254978 0.490186 0.004156 Na\n0.667844 0.664009 0.468581 Na\n0.995823 0.987614 0.493924 Na\n0.167532 0.645729 0.497019 Na\n0.833807 0.340845 0.501014 Na\n0.500882 0.054119 0.527129 Na\n0.312850 0.315280 0.533515 Na\n0.746954 0.507642 0.992477 Na\n0.799234 0.962182 0.180972 O\n0.970797 0.567432 0.195035 O\n0.098140 0.187821 0.206117 O\n0.269133 0.909841 0.216231 O\n0.605001 0.129012 0.224237 O\n0.544671 0.504398 0.771464 O\n0.725178 0.085824 0.779616 O\n0.903564 0.804798 0.791237 O\n0.027732 0.415523 0.799252 O\n0.404509 0.826991 0.801668 O\n0.196827 0.017926 0.803719 O\n",
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"spacegroup": 1
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{
"id": "oqmd-711585",
"created_at": "2022-09-04T15:19:30.553565Z",
"updated_at": "2022-09-04T15:19:30.553586Z",
"structure_string": "Zn4 O11\n1.0\n-4.980941 -9.493436 -0.791051\n-2.780701 4.892419 -0.234268\n1.322797 -0.177215 -3.194234\nO Zn\n11 4\ndirect\n0.949517 0.962073 0.099473 O\n0.251451 0.851412 0.172129 O\n0.618491 0.229492 0.201366 O\n0.919180 0.448358 0.249630 O\n0.744832 0.437604 0.416774 O\n0.680726 0.873644 0.559103 O\n0.994702 0.456794 0.577747 O\n0.261087 0.402898 0.617291 O\n0.403490 0.659762 0.692957 O\n0.254585 0.232414 0.843239 O\n0.552161 0.310169 0.906496 O\n0.600633 0.726314 0.000205 Zn\n0.073009 0.829430 0.078747 Zn\n0.891912 0.025949 0.615482 Zn\n0.342169 0.956155 0.716960 Zn\n",
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"elements": [
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"density": 4.273684158577162,
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{
"id": "oqmd-711313",
"created_at": "2022-09-04T15:19:30.968582Z",
"updated_at": "2022-09-04T15:19:30.968605Z",
"structure_string": "Na8 Si4 O11\n1.0\n-5.946959 -9.428292 -0.225543\n-2.565976 4.470039 0.142643\n1.920136 -0.074898 -5.205512\nNa O Si\n8 11 4\ndirect\n0.272629 0.509892 0.041374 Na\n0.610310 0.631675 0.377804 Na\n0.158184 0.644011 0.503704 Na\n0.001845 0.990192 0.504647 Na\n0.827168 0.331303 0.508990 Na\n0.504412 0.065852 0.543379 Na\n0.334525 0.352944 0.575662 Na\n0.759698 0.509631 0.998240 Na\n0.823950 0.004989 0.140083 O\n0.980560 0.573733 0.190412 O\n0.614657 0.068625 0.190736 O\n0.243974 0.899598 0.204121 O\n0.099323 0.195442 0.215093 O\n0.696410 0.063702 0.734384 O\n0.360113 0.819773 0.794161 O\n0.022872 0.403173 0.809152 O\n0.565156 0.532657 0.813319 O\n0.929032 0.822114 0.820665 O\n0.185017 0.015740 0.825280 O\n0.073259 0.812144 0.008599 Si\n0.348965 0.078949 0.009445 Si\n0.962740 0.195599 0.019180 Si\n0.655690 0.905540 0.957785 Si\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"O",
"Si"
],
"chemical_system": "Na-O-Si",
"density": 2.9753825479687346,
"density_atomic": 0.08726625016853323,
"volume": 263.5612273425428,
"volume_molar": 6.9008817823267545,
"formula_full": "Na8 Si4 O11",
"formula_reduced": "Na8Si4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.24129218180346,
"spacegroup": 1
}
]
}