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{
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"results": [
{
"id": "mp-680781",
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"structure_string": "Rb6 Tm2 S6 O24\n1.0\n7.748417 5.589880 0.000000\n-7.748417 5.589880 0.000000\n0.000000 5.562107 7.719637\nRb Tm S O\n6 2 6 24\ndirect\n0.814792 0.802027 0.148410 Rb\n0.454792 0.927878 0.877855 Rb\n0.717538 0.329730 0.957969 Rb\n0.927878 0.454792 0.377855 Rb\n0.802027 0.814792 0.648410 Rb\n0.329730 0.717538 0.457969 Rb\n0.168627 0.351143 0.996877 Tm\n0.351143 0.168627 0.496877 Tm\n0.090592 0.296552 0.699063 S\n0.296552 0.090592 0.199063 S\n0.493514 0.376879 0.645996 S\n0.102647 0.717169 0.854225 S\n0.717169 0.102647 0.354225 S\n0.376879 0.493514 0.145996 S\n0.583081 0.155359 0.349099 O\n0.747142 0.953939 0.893568 O\n0.155359 0.583081 0.849099 O\n0.092789 0.730580 0.006382 O\n0.643602 0.419544 0.667052 O\n0.730580 0.092789 0.506382 O\n0.176611 0.112133 0.130313 O\n0.336713 0.958135 0.176159 O\n0.390109 0.186643 0.720127 O\n0.449976 0.537139 0.959826 O\n0.883123 0.242907 0.189842 O\n0.186643 0.390109 0.220127 O\n0.030638 0.204980 0.892854 O\n0.939091 0.670041 0.856410 O\n0.419544 0.643602 0.167052 O\n0.670041 0.939091 0.356410 O\n0.537139 0.449976 0.459826 O\n0.242907 0.883123 0.689842 O\n0.112133 0.176611 0.630313 O\n0.438543 0.384503 0.232776 O\n0.204980 0.030638 0.392854 O\n0.384503 0.438543 0.732776 O\n0.958135 0.336713 0.676159 O\n0.953939 0.747142 0.393568 O\n",
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},
{
"id": "mp-1197082",
"created_at": "2022-09-04T14:47:10.406253Z",
"structure_string": "Rb6 Tm2 S6 O24\n1.0\n7.687472 5.431540 0.000000\n-7.687472 5.431540 0.000000\n0.000000 5.386848 7.743923\nRb Tm S O\n6 2 6 24\ndirect\n0.350488 0.314141 0.621008 Rb\n0.314141 0.350488 0.121008 Rb\n0.794575 0.662512 0.022558 Rb\n0.662512 0.794576 0.522558 Rb\n0.444638 0.952266 0.854554 Rb\n0.952265 0.444638 0.354554 Rb\n0.162884 0.842078 0.504046 Tm\n0.842078 0.162884 0.004046 Tm\n0.453366 0.743699 0.237039 S\n0.743699 0.453366 0.737039 S\n0.522415 0.137451 0.355849 S\n0.137451 0.522415 0.855849 S\n0.957954 0.072524 0.643765 S\n0.072524 0.957954 0.143765 S\n0.926185 0.593047 0.599175 O\n0.593047 0.926185 0.099175 O\n0.527752 0.653700 0.322400 O\n0.653700 0.527752 0.822400 O\n0.315161 0.750757 0.367858 O\n0.750757 0.315161 0.867858 O\n0.657097 0.375815 0.654994 O\n0.375815 0.657097 0.154994 O\n0.592615 0.311295 0.337070 O\n0.311295 0.592615 0.837070 O\n0.667412 0.108321 0.273334 O\n0.108321 0.667412 0.773334 O\n0.404329 0.111359 0.279921 O\n0.111359 0.404329 0.779921 O\n0.407398 0.996334 0.542466 O\n0.996334 0.407398 0.042466 O\n0.793455 0.026236 0.640823 O\n0.026236 0.793455 0.140823 O\n0.006545 0.933462 0.646268 O\n0.933462 0.006545 0.146268 O\n0.100924 0.240865 0.493140 O\n0.240865 0.100924 0.993140 O\n0.074224 0.935523 0.308931 O\n0.935523 0.074224 0.808931 O\n",
"nsites": 38,
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"elements": [
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],
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"formula_full": "Rb6 Tm2 S6 O24",
"formula_reduced": "Rb3Tm(SO4)3",
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"energy": -252.14100748,
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"updated_at": "2021-11-28T01:37:53.136000Z",
"spacegroup": 9
},
{
"id": "mp-1198857",
"created_at": "2022-09-04T14:40:36.544064Z",
"structure_string": "Rb8 V4 S8 O38\n1.0\n8.029954 0.000000 0.000000\n3.440801 10.509892 0.000000\n2.862357 1.782340 11.819135\nRb V S O\n8 4 8 38\ndirect\n0.208058 0.658700 0.055317 Rb\n0.791942 0.341300 0.944683 Rb\n0.593106 0.968284 0.161268 Rb\n0.406894 0.031716 0.838732 Rb\n0.940926 0.830598 0.455933 Rb\n0.059074 0.169402 0.544067 Rb\n0.306397 0.454597 0.652157 Rb\n0.693603 0.545403 0.347843 Rb\n0.557111 0.712797 0.696283 V\n0.442889 0.287203 0.303717 V\n0.889792 0.775705 0.808755 V\n0.110208 0.224295 0.191245 V\n0.911288 0.002364 0.846206 S\n0.088712 0.997636 0.153794 S\n0.798266 0.477734 0.637228 S\n0.201734 0.522266 0.362772 S\n0.413369 0.822034 0.509164 S\n0.586631 0.177966 0.490836 S\n0.279225 0.319199 0.977446 S\n0.720775 0.680801 0.022554 S\n0.362344 0.188469 0.034908 O\n0.637656 0.811531 0.965092 O\n0.634514 0.530353 0.734328 O\n0.365486 0.469647 0.265672 O\n0.524319 0.866058 0.574179 O\n0.475681 0.133942 0.425821 O\n0.219598 0.314626 0.875133 O\n0.780402 0.685374 0.124867 O\n0.987812 0.864039 0.902337 O\n0.012188 0.135961 0.097663 O\n0.821571 0.599904 0.565985 O\n0.178429 0.400096 0.434015 O\n0.738640 0.400132 0.579674 O\n0.261360 0.599868 0.420326 O\n0.430153 0.687215 0.579662 O\n0.569847 0.312785 0.420338 O\n0.104253 0.364585 0.069712 O\n0.895747 0.635415 0.930288 O\n0.072659 0.712031 0.727906 O\n0.927341 0.287969 0.272094 O\n0.825056 0.967461 0.760009 O\n0.174944 0.032539 0.239991 O\n0.775086 0.077962 0.925226 O\n0.224914 0.922038 0.074774 O\n0.946803 0.404010 0.694766 O\n0.053197 0.595990 0.305234 O\n0.229167 0.900356 0.523696 O\n0.770833 0.099644 0.476304 O\n0.382588 0.410817 0.962781 O\n0.617412 0.589183 0.037219 O\n0.723348 0.766180 0.735697 O\n0.276652 0.233820 0.264303 O\n0.050636 0.063436 0.786927 O\n0.949364 0.936564 0.213073 O\n0.502176 0.814056 0.392566 O\n0.497824 0.185944 0.607434 O\n0.390968 0.744286 0.799268 O\n0.609032 0.255714 0.200732 O\n",
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"elements": [
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],
"chemical_system": "O-Rb-S-V",
"density": 2.916671940357958,
"density_atomic": 0.05814749227602802,
"volume": 997.4634800185729,
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"formula_full": "Rb8 V4 S8 O38",
"formula_reduced": "Rb4V2S4O19",
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"energy": -391.99769161,
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"updated_at": "2021-11-28T01:35:02.545000Z",
"spacegroup": 2
},
{
"id": "mp-1196029",
"created_at": "2022-09-04T14:45:30.922726Z",
"structure_string": "Rb12 V4 S8 O40\n1.0\n8.567738 0.000000 0.000000\n0.000000 11.809877 0.000000\n0.000000 4.120780 11.597498\nRb V S O\n12 4 8 40\ndirect\n0.283997 0.014474 0.049052 Rb\n0.283997 0.985526 0.450948 Rb\n0.716003 0.985526 0.950948 Rb\n0.716003 0.014474 0.549052 Rb\n0.852377 0.376089 0.643737 Rb\n0.852377 0.623911 0.856263 Rb\n0.147623 0.623911 0.356263 Rb\n0.147623 0.376089 0.143737 Rb\n0.691550 0.500000 0.250000 Rb\n0.308450 0.500000 0.750000 Rb\n0.884905 0.000000 0.250000 Rb\n0.115095 0.000000 0.750000 Rb\n0.670451 0.325760 0.023922 V\n0.670451 0.674240 0.476078 V\n0.329549 0.674240 0.976078 V\n0.329549 0.325760 0.523922 V\n0.510473 0.183145 0.212408 S\n0.510473 0.816855 0.287592 S\n0.489527 0.816855 0.787592 S\n0.489527 0.183145 0.712408 S\n0.978783 0.235361 0.934250 S\n0.978783 0.764639 0.565750 S\n0.021217 0.764639 0.065750 S\n0.021217 0.235361 0.434250 S\n0.347155 0.147239 0.210898 O\n0.347155 0.852761 0.289102 O\n0.652845 0.852761 0.789102 O\n0.652845 0.147239 0.710898 O\n0.028604 0.357828 0.867099 O\n0.028604 0.642172 0.632901 O\n0.971396 0.642172 0.132901 O\n0.971396 0.357828 0.367099 O\n0.796817 0.236596 0.947224 O\n0.796817 0.763404 0.552776 O\n0.203183 0.763404 0.052776 O\n0.203183 0.236596 0.447224 O\n0.582265 0.137517 0.326336 O\n0.582265 0.862483 0.173664 O\n0.417735 0.862483 0.673664 O\n0.417735 0.137517 0.826336 O\n0.566833 0.411164 0.914322 O\n0.566833 0.588836 0.585678 O\n0.433167 0.588836 0.085678 O\n0.433167 0.411164 0.414322 O\n0.046896 0.191890 0.051453 O\n0.046896 0.808110 0.448547 O\n0.953104 0.808110 0.948547 O\n0.953104 0.191890 0.551453 O\n0.474647 0.319997 0.659748 O\n0.474647 0.680003 0.840252 O\n0.525353 0.680003 0.340252 O\n0.525353 0.319997 0.159748 O\n0.808020 0.407835 0.057241 O\n0.808020 0.592165 0.442759 O\n0.191980 0.592165 0.942759 O\n0.191980 0.407835 0.557241 O\n0.607401 0.147832 0.123203 O\n0.607401 0.852168 0.376797 O\n0.392599 0.852168 0.876797 O\n0.392599 0.147832 0.623203 O\n0.005131 0.851802 0.626774 O\n0.005131 0.148198 0.873226 O\n0.994869 0.148198 0.373226 O\n0.994869 0.851802 0.126774 O\n",
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"spacegroup": 13
},
{
"id": "mp-642398",
"created_at": "2022-09-04T14:45:16.179074Z",
"structure_string": "Rb4 V4 S4 O24\n1.0\n5.636779 0.000000 0.000000\n0.000000 9.040287 0.000000\n0.000000 0.000000 10.969173\nRb V S O\n4 4 4 24\ndirect\n0.003282 0.688029 0.843765 Rb\n0.496718 0.311971 0.343765 Rb\n0.503282 0.811971 0.156235 Rb\n0.996718 0.188029 0.656235 Rb\n0.540598 0.846884 0.559533 V\n0.040598 0.653116 0.440467 V\n0.459402 0.346884 0.940467 V\n0.959402 0.153116 0.059533 V\n0.518466 0.457785 0.711641 S\n0.981534 0.542215 0.211641 S\n0.018466 0.042215 0.288359 S\n0.481534 0.957785 0.788359 S\n0.199704 0.094903 0.191196 O\n0.800296 0.594903 0.308804 O\n0.709490 0.916105 0.719294 O\n0.552166 0.001328 0.484235 O\n0.965100 0.382405 0.198287 O\n0.947834 0.998672 0.984235 O\n0.675521 0.241426 0.020710 O\n0.545076 0.373280 0.599862 O\n0.290510 0.416105 0.780706 O\n0.824479 0.758574 0.520710 O\n0.324479 0.741426 0.479290 O\n0.175521 0.258574 0.979290 O\n0.209490 0.583895 0.280706 O\n0.045076 0.126720 0.400138 O\n0.790510 0.083895 0.219294 O\n0.954924 0.626720 0.099862 O\n0.034900 0.882405 0.301713 O\n0.454924 0.873280 0.900138 O\n0.300296 0.905097 0.691196 O\n0.699704 0.405097 0.808804 O\n0.447834 0.501328 0.015765 O\n0.534900 0.617595 0.698287 O\n0.052166 0.498672 0.515765 O\n0.465100 0.117595 0.801713 O\n",
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"formula_full": "Rb4 V4 S4 O24",
"formula_reduced": "RbVSO6",
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"updated_at": "2021-11-28T01:36:55.184000Z",
"spacegroup": 19
},
{
"id": "mp-1219664",
"created_at": "2022-09-04T14:47:41.470233Z",
"structure_string": "Rb4 W2 S2 O8\n1.0\n11.959040 -3.125583 0.000000\n11.959040 3.125583 0.000000\n11.142146 0.000000 5.351682\nRb W S O\n4 2 2 8\ndirect\n0.773425 0.773425 0.773425 Rb\n0.226575 0.226575 0.226575 Rb\n0.647089 0.647089 0.647089 Rb\n0.352911 0.352911 0.352911 Rb\n0.938665 0.938665 0.938665 W\n0.061335 0.061335 0.061335 W\n0.873695 0.873695 0.873695 S\n0.126305 0.126305 0.126305 S\n0.112634 0.642337 0.112634 O\n0.112634 0.112634 0.642337 O\n0.642337 0.112634 0.112634 O\n0.887366 0.357663 0.887366 O\n0.887366 0.887366 0.357663 O\n0.357663 0.887366 0.887366 O\n0.559751 0.559751 0.559751 O\n0.440249 0.440249 0.440249 O\n",
"nsites": 16,
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],
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"density": 3.7424167696865664,
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"volume": 400.0807445496368,
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"formula_full": "Rb4 W2 S2 O8",
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},
{
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]
}