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{
"id": "mp-1210256",
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"structure_string": "Rb12 Nb12 Ge12 O60\n1.0\n7.586245 0.000000 0.000000\n0.000000 10.594856 0.000000\n0.000000 0.000000 20.987674\nRb Nb Ge O\n12 12 12 60\ndirect\n0.239694 0.382318 0.348632 Rb\n0.260306 0.617682 0.848632 Rb\n0.760306 0.882318 0.151368 Rb\n0.739694 0.117682 0.651368 Rb\n0.258964 0.686009 0.167138 Rb\n0.241036 0.313991 0.667138 Rb\n0.741036 0.186009 0.332862 Rb\n0.758964 0.813991 0.832862 Rb\n0.221783 0.384637 0.017183 Rb\n0.278217 0.615363 0.517183 Rb\n0.778217 0.884637 0.482817 Rb\n0.721783 0.115363 0.982817 Rb\n0.257668 0.020867 0.398999 Nb\n0.242332 0.979133 0.898999 Nb\n0.742332 0.520867 0.101001 Nb\n0.757668 0.479133 0.601001 Nb\n0.479959 0.266762 0.499642 Nb\n0.020041 0.733238 0.999642 Nb\n0.520041 0.766762 0.000358 Nb\n0.979959 0.233238 0.500358 Nb\n0.235621 0.014776 0.073577 Nb\n0.264379 0.985224 0.573577 Nb\n0.764379 0.514776 0.426423 Nb\n0.735621 0.485224 0.926423 Nb\n0.519304 0.244478 0.148477 Ge\n0.980696 0.755522 0.648477 Ge\n0.480696 0.744478 0.351523 Ge\n0.019304 0.255522 0.851523 Ge\n0.235027 0.116833 0.230435 Ge\n0.264973 0.883167 0.730435 Ge\n0.764973 0.616833 0.269565 Ge\n0.735027 0.383167 0.769565 Ge\n0.064502 0.731423 0.351807 Ge\n0.435498 0.268577 0.851807 Ge\n0.935498 0.231423 0.148193 Ge\n0.564502 0.768577 0.648193 Ge\n0.060952 0.102870 0.562786 O\n0.439048 0.897130 0.062786 O\n0.939048 0.602870 0.937214 O\n0.560952 0.397130 0.437214 O\n0.239730 0.089793 0.311842 O\n0.260270 0.910207 0.811842 O\n0.760270 0.589793 0.188158 O\n0.739730 0.410207 0.688158 O\n0.028473 0.139083 0.088089 O\n0.471527 0.860917 0.588089 O\n0.971527 0.639083 0.411911 O\n0.528473 0.360917 0.911911 O\n0.036282 0.208238 0.224390 O\n0.463718 0.791762 0.724390 O\n0.963718 0.708238 0.275610 O\n0.536282 0.291762 0.775610 O\n0.412175 0.166525 0.086808 O\n0.087825 0.833475 0.586808 O\n0.587825 0.666525 0.413192 O\n0.912175 0.333475 0.913192 O\n0.409530 0.231209 0.223642 O\n0.090470 0.768791 0.723642 O\n0.590470 0.731209 0.276358 O\n0.909530 0.268791 0.776358 O\n0.237400 0.312406 0.501347 O\n0.262600 0.687594 0.001347 O\n0.762600 0.812406 0.998653 O\n0.737400 0.187594 0.498653 O\n0.427842 0.145591 0.425638 O\n0.072158 0.854409 0.925638 O\n0.572158 0.645591 0.074362 O\n0.927842 0.354409 0.574362 O\n0.735800 0.439082 0.014383 O\n0.764200 0.560918 0.514383 O\n0.264200 0.939082 0.485617 O\n0.235800 0.060918 0.985617 O\n0.056386 0.124873 0.428678 O\n0.443614 0.875127 0.928678 O\n0.943614 0.624873 0.071322 O\n0.556386 0.375127 0.571322 O\n0.722908 0.164948 0.165253 O\n0.777092 0.835052 0.665253 O\n0.277092 0.664948 0.334747 O\n0.222908 0.335052 0.834747 O\n0.245793 0.993257 0.175809 O\n0.254207 0.006743 0.675809 O\n0.754207 0.493257 0.324191 O\n0.745793 0.506743 0.824191 O\n0.544138 0.403954 0.130535 O\n0.955862 0.596046 0.630535 O\n0.455862 0.903954 0.369465 O\n0.044138 0.096046 0.869465 O\n0.065457 0.889192 0.373157 O\n0.434543 0.110808 0.873157 O\n0.934543 0.389192 0.126843 O\n0.565457 0.610808 0.626843 O\n0.425114 0.125093 0.565151 O\n0.074886 0.874907 0.065151 O\n0.574886 0.625093 0.934849 O\n0.925114 0.374907 0.434849 O\n",
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],
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"density": 3.910090178112767,
"density_atomic": 0.05690953023405659,
"volume": 1686.887936083337,
"volume_molar": 10.58195478899973,
"formula_full": "Rb12 Nb12 Ge12 O60",
"formula_reduced": "RbNbGeO5",
"formula_anonymous": "ABCD5",
"energy": -732.9315332,
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"updated_at": "2021-11-28T01:37:16.117000Z",
"spacegroup": 19
},
{
"id": "mp-540633",
"created_at": "2022-09-04T14:43:14.032158Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n3.584593 -6.208697 0.000000\n3.584593 6.208697 0.000000\n0.000000 0.000000 10.329298\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.076038 0.288095 0.250000 Ge\n0.212057 0.923962 0.250000 Ge\n0.711905 0.787943 0.250000 Ge\n0.711905 0.923962 0.750000 Ge\n0.212057 0.288095 0.750000 Ge\n0.076038 0.787943 0.750000 Ge\n0.264129 0.194822 0.250000 O\n0.930693 0.735871 0.250000 O\n0.805178 0.069307 0.250000 O\n0.805178 0.735871 0.750000 O\n0.930693 0.194822 0.750000 O\n0.264129 0.069307 0.750000 O\n0.101878 0.438234 0.110674 O\n0.336355 0.898122 0.389326 O\n0.561766 0.663645 0.389326 O\n0.561766 0.663645 0.110674 O\n0.336355 0.898122 0.110674 O\n0.561766 0.898122 0.889326 O\n0.336355 0.438234 0.889326 O\n0.101878 0.663645 0.889326 O\n0.336355 0.438234 0.610674 O\n0.101878 0.663645 0.610674 O\n0.101878 0.438234 0.389326 O\n0.561766 0.898122 0.610674 O\n",
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"elements": [
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],
"chemical_system": "Ge-Nb-O-Rb",
"density": 3.9026887921350624,
"density_atomic": 0.06089994643154942,
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"formula_full": "Rb2 Nb2 Ge6 O18",
"formula_reduced": "RbNb(GeO3)3",
"formula_anonymous": "ABC3D9",
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"updated_at": "2021-11-28T01:36:09.902000Z",
"spacegroup": 188
},
{
"id": "mp-1196502",
"created_at": "2022-09-04T14:43:07.958437Z",
"structure_string": "Rb16 Nb12 H56 O66\n1.0\n10.364537 0.000000 0.000000\n0.000000 15.982433 0.000000\n-8.372812 0.000000 11.493884\nRb Nb H O\n16 12 56 66\ndirect\n0.517398 0.640133 0.896667 Rb\n0.517398 0.859867 0.396667 Rb\n0.482602 0.359867 0.103333 Rb\n0.482602 0.140133 0.603333 Rb\n0.467628 0.889392 0.850932 Rb\n0.467628 0.610608 0.350932 Rb\n0.532372 0.110608 0.149068 Rb\n0.532372 0.389392 0.649068 Rb\n0.906454 0.796284 0.877323 Rb\n0.906454 0.703716 0.377323 Rb\n0.093546 0.203716 0.122677 Rb\n0.093546 0.296284 0.622677 Rb\n0.995876 0.928894 0.165963 Rb\n0.995876 0.571106 0.665963 Rb\n0.004124 0.071106 0.834037 Rb\n0.004124 0.428894 0.334037 Rb\n0.987314 0.606880 0.115888 Nb\n0.987314 0.893120 0.615888 Nb\n0.012686 0.393120 0.884112 Nb\n0.012686 0.106880 0.384112 Nb\n0.807621 0.571693 0.829218 Nb\n0.807621 0.928307 0.329218 Nb\n0.192379 0.428307 0.170782 Nb\n0.192379 0.071693 0.670782 Nb\n0.208424 0.577795 0.012214 Nb\n0.208424 0.922205 0.512214 Nb\n0.791576 0.422205 0.987786 Nb\n0.791576 0.077795 0.487786 Nb\n0.697587 0.819782 0.108776 H\n0.697587 0.680218 0.608776 H\n0.302413 0.180218 0.891224 H\n0.302413 0.319782 0.391224 H\n0.812178 0.757889 0.103663 H\n0.812178 0.742111 0.603663 H\n0.187822 0.242111 0.896337 H\n0.187822 0.257889 0.396337 H\n0.467193 0.898913 0.109432 H\n0.467193 0.601087 0.609432 H\n0.532807 0.101087 0.890568 H\n0.532807 0.398913 0.390568 H\n0.312744 0.868968 0.989297 H\n0.312744 0.631032 0.489297 H\n0.687256 0.131032 0.010703 H\n0.687256 0.368968 0.510703 H\n0.193799 0.757904 0.130811 H\n0.193799 0.742096 0.630811 H\n0.806201 0.242096 0.869189 H\n0.806201 0.257904 0.369189 H\n0.256996 0.842888 0.112237 H\n0.256996 0.657112 0.612237 H\n0.743004 0.157112 0.887763 H\n0.743004 0.342888 0.387763 H\n0.751662 0.010383 0.923227 H\n0.751662 0.489617 0.423227 H\n0.248338 0.989617 0.076773 H\n0.248338 0.510383 0.576773 H\n0.740999 0.965483 0.820295 H\n0.740999 0.534517 0.320295 H\n0.259001 0.034517 0.179705 H\n0.259001 0.465483 0.679705 H\n0.582932 0.720114 0.718985 H\n0.582932 0.779886 0.218985 H\n0.417068 0.279886 0.281015 H\n0.417068 0.220114 0.781015 H\n0.483662 0.802441 0.660004 H\n0.483662 0.697559 0.160004 H\n0.516338 0.197559 0.339996 H\n0.516338 0.302441 0.839996 H\n0.165804 0.785803 0.826650 H\n0.165804 0.714197 0.326650 H\n0.834196 0.214197 0.173350 H\n0.834196 0.285803 0.673350 H\n0.296749 0.730931 0.940760 H\n0.296749 0.769069 0.440760 H\n0.703251 0.269069 0.059240 H\n0.703251 0.230931 0.559240 H\n0.560579 0.934202 0.626698 H\n0.560579 0.565798 0.126698 H\n0.439421 0.065798 0.373302 H\n0.439421 0.434202 0.873302 H\n0.715113 0.968252 0.636566 H\n0.715113 0.531748 0.136566 H\n0.284887 0.031748 0.363434 H\n0.284887 0.468252 0.863434 H\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.149235 0.525461 0.236833 O\n0.149235 0.974539 0.736833 O\n0.850765 0.474539 0.763167 O\n0.850765 0.025461 0.263167 O\n0.832846 0.647087 0.953140 O\n0.832846 0.852913 0.453140 O\n0.167154 0.352913 0.046860 O\n0.167154 0.147087 0.546860 O\n0.655407 0.632364 0.696997 O\n0.655407 0.867636 0.196997 O\n0.344593 0.367636 0.303003 O\n0.344593 0.132364 0.803003 O\n0.373486 0.636281 0.026945 O\n0.373486 0.863719 0.526945 O\n0.626514 0.363719 0.973055 O\n0.626514 0.136281 0.473055 O\n0.164504 0.649780 0.107105 O\n0.164504 0.850220 0.607105 O\n0.835496 0.350220 0.892895 O\n0.835496 0.149780 0.392895 O\n0.816711 0.523909 0.084750 O\n0.816711 0.976091 0.584750 O\n0.183289 0.476091 0.915250 O\n0.183289 0.023909 0.415250 O\n0.977634 0.688759 0.202097 O\n0.977634 0.811241 0.702097 O\n0.022366 0.311241 0.797903 O\n0.022366 0.188759 0.297903 O\n0.012362 0.624215 0.868675 O\n0.012362 0.875785 0.368675 O\n0.987638 0.375785 0.131325 O\n0.987638 0.124215 0.631325 O\n0.669004 0.498793 0.848784 O\n0.669004 0.001207 0.348784 O\n0.330996 0.501207 0.151216 O\n0.330996 0.998793 0.651216 O\n0.723308 0.798019 0.055902 O\n0.723308 0.701981 0.555902 O\n0.276692 0.201981 0.944098 O\n0.276692 0.298019 0.444098 O\n0.349755 0.910948 0.052584 O\n0.349755 0.589052 0.552584 O\n0.650245 0.089052 0.947416 O\n0.650245 0.410948 0.447416 O\n0.191138 0.820231 0.135153 O\n0.191138 0.679769 0.635153 O\n0.808862 0.179769 0.864847 O\n0.808862 0.320231 0.364847 O\n0.796930 0.963465 0.906047 O\n0.796930 0.536535 0.406047 O\n0.203070 0.036535 0.093953 O\n0.203070 0.463465 0.593953 O\n0.549021 0.773073 0.735954 O\n0.549021 0.726927 0.235954 O\n0.450979 0.226927 0.264046 O\n0.450979 0.273073 0.764046 O\n0.276492 0.785291 0.900298 O\n0.276492 0.714709 0.400298 O\n0.723508 0.214709 0.099702 O\n0.723508 0.285291 0.599702 O\n0.656148 0.969964 0.673459 O\n0.656148 0.530036 0.173459 O\n0.343852 0.030036 0.326541 O\n0.343852 0.469964 0.826541 O\n",
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"elements": [
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],
"chemical_system": "H-Nb-O-Rb",
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"volume": 1903.9678404838116,
"volume_molar": 7.643974891937826,
"formula_full": "Rb16 Nb12 H56 O66",
"formula_reduced": "Rb8Nb6H28O33",
"formula_anonymous": "A6B8C28D33",
"energy": -944.69406922,
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"updated_at": "2021-11-28T01:36:03.416000Z",
"spacegroup": 14
},
{
"id": "mp-1220940",
"created_at": "2022-09-04T14:39:34.039608Z",
"structure_string": "Rb12 Nb12 H28 O54\n1.0\n9.779968 -0.008275 0.239794\n4.405683 9.174914 3.023320\n0.094635 0.061188 17.223358\nRb Nb H O\n12 12 28 54\ndirect\n0.569093 0.781197 0.638364 Rb\n0.431408 0.217716 0.365048 Rb\n0.283429 0.718167 0.035308 Rb\n0.719542 0.280690 0.966437 Rb\n0.109756 0.361907 0.852183 Rb\n0.892304 0.637145 0.149014 Rb\n0.872663 0.403493 0.561547 Rb\n0.127731 0.596436 0.435584 Rb\n0.461247 0.377148 0.706957 Rb\n0.534966 0.620101 0.292849 Rb\n0.402146 0.956092 0.824479 Rb\n0.598551 0.042097 0.175504 Rb\n0.212536 0.697837 0.814660 Nb\n0.788296 0.303046 0.184778 Nb\n0.745348 0.065646 0.648002 Nb\n0.254827 0.935100 0.352557 Nb\n0.012215 0.703449 0.654358 Nb\n0.987672 0.296696 0.345592 Nb\n0.960124 0.045214 0.803801 Nb\n0.039705 0.953757 0.196099 Nb\n0.832427 0.785793 0.817854 Nb\n0.168247 0.212583 0.181418 Nb\n0.137207 0.965862 0.638820 Nb\n0.861615 0.035447 0.360736 Nb\n0.640501 0.716642 0.976729 H\n0.358513 0.283146 0.022935 H\n0.510482 0.823016 0.092104 H\n0.489874 0.177126 0.907836 H\n0.899173 0.127681 0.515383 H\n0.100496 0.871833 0.484310 H\n0.728463 0.793112 0.465581 H\n0.272219 0.205291 0.535369 H\n0.156207 0.471932 0.054761 H\n0.843005 0.525051 0.945271 H\n0.599286 0.742891 0.458051 H\n0.400405 0.257021 0.542407 H\n0.113790 0.073454 0.946082 H\n0.885824 0.926847 0.053436 H\n0.613120 0.607569 0.056356 H\n0.388710 0.391773 0.943950 H\n0.070288 0.603787 0.973616 H\n0.931428 0.396566 0.027444 H\n0.372225 0.918353 0.135164 H\n0.627652 0.081631 0.864654 H\n0.791806 0.922124 0.532034 H\n0.208459 0.077801 0.468285 H\n0.189451 0.344395 0.656595 H\n0.809974 0.655099 0.342825 H\n0.192064 0.059989 0.029243 H\n0.807532 0.939658 0.970587 H\n0.161828 0.207434 0.705790 H\n0.838617 0.791522 0.294338 H\n0.577286 0.205447 0.580397 O\n0.422773 0.795217 0.419340 O\n0.912237 0.110110 0.575943 O\n0.087446 0.890705 0.423566 O\n0.243922 0.041533 0.566290 O\n0.756306 0.958703 0.433279 O\n0.189366 0.595095 0.736751 O\n0.811116 0.405188 0.263134 O\n0.717832 0.716084 0.888090 O\n0.281011 0.280759 0.110552 O\n0.217043 0.267378 0.709242 O\n0.781110 0.733898 0.290806 O\n0.702590 0.709120 0.485604 O\n0.296644 0.290274 0.515693 O\n0.116001 0.824710 0.586629 O\n0.883808 0.175630 0.412895 O\n0.081558 0.095702 0.710071 O\n0.918367 0.905552 0.289575 O\n0.045083 0.657950 0.870063 O\n0.957009 0.342032 0.129861 O\n0.293410 0.807606 0.722390 O\n0.704669 0.193604 0.277030 O\n0.096162 0.578729 0.033321 O\n0.909200 0.419757 0.967517 O\n0.029822 0.578345 0.598316 O\n0.967843 0.420853 0.402276 O\n0.876780 0.670811 0.738667 O\n0.124263 0.329344 0.261527 O\n0.976079 0.886486 0.722369 O\n0.024747 0.113657 0.277797 O\n0.150477 0.867839 0.857235 O\n0.851335 0.130950 0.142883 O\n0.213554 0.038368 0.976771 O\n0.786078 0.960424 0.023318 O\n0.955084 0.161856 0.863445 O\n0.046547 0.835641 0.136689 O\n0.383055 0.641758 0.560185 O\n0.618169 0.355414 0.442330 O\n0.592514 0.711467 0.029090 O\n0.406814 0.288493 0.970660 O\n0.481064 0.850603 0.142534 O\n0.518721 0.149116 0.857486 O\n0.805984 0.892761 0.593256 O\n0.194237 0.107257 0.407029 O\n0.666827 0.951270 0.730332 O\n0.333487 0.048637 0.269816 O\n0.834773 0.943430 0.861589 O\n0.165529 0.054731 0.138390 O\n0.380862 0.559036 0.883666 O\n0.625155 0.441014 0.114997 O\n0.775791 0.170222 0.716348 O\n0.224322 0.831090 0.283126 O\n0.618487 0.556232 0.825824 O\n0.242302 0.545748 0.277523 O\n",
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{
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{
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},
{
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}
]
}