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{
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{
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{
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"structure_string": "Rb6 Sc3 N15 O45\n1.0\n5.572848 -9.652455 0.000000\n5.572848 9.652455 0.000000\n0.000000 0.000000 9.519528\nRb Sc N O\n6 3 15 45\ndirect\n0.469657 0.000000 0.333333 Rb\n0.716720 0.716720 0.500000 Rb\n0.000000 0.283280 0.166667 Rb\n0.283280 0.000000 0.833333 Rb\n0.530343 0.530343 0.000000 Rb\n0.000000 0.469657 0.666667 Rb\n0.000000 0.681112 0.166667 Sc\n0.318888 0.318888 0.500000 Sc\n0.681112 0.000000 0.833333 Sc\n0.254768 0.677613 0.105206 N\n0.677613 0.254768 0.894794 N\n0.747923 0.100979 0.560380 N\n0.918749 0.000000 0.833333 N\n0.252077 0.353056 0.772953 N\n0.899021 0.646944 0.893713 N\n0.100979 0.747923 0.439620 N\n0.745232 0.422845 0.228127 N\n0.322387 0.577155 0.438539 N\n0.646944 0.899021 0.106287 N\n0.353056 0.252077 0.227047 N\n0.577155 0.322387 0.561461 N\n0.081251 0.081251 0.500000 N\n0.422845 0.745232 0.771873 N\n0.000000 0.918749 0.166667 N\n0.636903 0.985644 0.588776 O\n0.338327 0.175758 0.333924 O\n0.544454 0.414038 0.517396 O\n0.916635 0.815138 0.242366 O\n0.721734 0.520714 0.244168 O\n0.585962 0.130416 0.850729 O\n0.371851 0.222916 0.107302 O\n0.479286 0.201020 0.577501 O\n0.000000 0.028853 0.166667 O\n0.083365 0.898503 0.090967 O\n0.162568 0.824242 0.332743 O\n0.651259 0.014356 0.077891 O\n0.299352 0.658740 0.753120 O\n0.869584 0.455546 0.184062 O\n0.815138 0.916635 0.757634 O\n0.455546 0.869584 0.815938 O\n0.148935 0.777084 0.559364 O\n0.014356 0.651259 0.922109 O\n0.658740 0.299352 0.246880 O\n0.222916 0.371851 0.892698 O\n0.520714 0.721734 0.755832 O\n0.898503 0.083365 0.909033 O\n0.175758 0.338327 0.666076 O\n0.414038 0.544454 0.482604 O\n0.341260 0.640612 0.086454 O\n0.130416 0.585962 0.149271 O\n0.201020 0.479286 0.422499 O\n0.700648 0.359388 0.580213 O\n0.363097 0.348741 0.744558 O\n0.348741 0.363097 0.255442 O\n0.824242 0.162568 0.667257 O\n0.640612 0.341260 0.913546 O\n0.851065 0.628149 0.773969 O\n0.798980 0.278266 0.910834 O\n0.661673 0.837432 0.999410 O\n0.777084 0.148935 0.440636 O\n0.359388 0.700648 0.419787 O\n0.101497 0.184862 0.424301 O\n0.837432 0.661673 0.000590 O\n0.971147 0.971147 0.500000 O\n0.628149 0.851065 0.226031 O\n0.985644 0.636903 0.411224 O\n0.028853 0.000000 0.833333 O\n0.184862 0.101497 0.575699 O\n0.278266 0.798980 0.089166 O\n",
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{
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"structure_string": "Rb4 Sc4 P8 O32\n1.0\n9.167104 0.000000 0.000000\n0.000000 5.401200 0.000000\n0.000000 0.927006 15.366151\nRb Sc P O\n4 4 8 32\ndirect\n0.018531 0.734895 0.612085 Rb\n0.518531 0.265105 0.887915 Rb\n0.981469 0.265105 0.387915 Rb\n0.481469 0.734895 0.112085 Rb\n0.542195 0.739302 0.652959 Sc\n0.042195 0.260698 0.847041 Sc\n0.457805 0.260698 0.347041 Sc\n0.957805 0.739302 0.152959 Sc\n0.336348 0.266119 0.565584 P\n0.836348 0.733881 0.934416 P\n0.663652 0.733881 0.434416 P\n0.163652 0.266119 0.065584 P\n0.263446 0.778443 0.815830 P\n0.763446 0.221557 0.684170 P\n0.736554 0.221557 0.184170 P\n0.236554 0.778443 0.315830 P\n0.435024 0.059390 0.605723 O\n0.935024 0.940610 0.894277 O\n0.564976 0.940610 0.394277 O\n0.064976 0.059390 0.105723 O\n0.342158 0.265545 0.465165 O\n0.842158 0.734455 0.034835 O\n0.657842 0.734455 0.534835 O\n0.157842 0.265545 0.965165 O\n0.385314 0.523545 0.593105 O\n0.885314 0.476455 0.906895 O\n0.614686 0.476455 0.406895 O\n0.114686 0.523545 0.093105 O\n0.676602 0.779576 0.906846 O\n0.176602 0.220424 0.593154 O\n0.323398 0.220424 0.093154 O\n0.823398 0.779576 0.406846 O\n0.400753 0.728167 0.760427 O\n0.900753 0.271833 0.739573 O\n0.599247 0.271833 0.239573 O\n0.099247 0.728167 0.260427 O\n0.147488 0.582316 0.797605 O\n0.647488 0.417684 0.702395 O\n0.852512 0.417684 0.202395 O\n0.352512 0.582316 0.297605 O\n0.203772 0.041580 0.794212 O\n0.703772 0.958420 0.705788 O\n0.796228 0.958420 0.205788 O\n0.296228 0.041580 0.294212 O\n0.326027 0.756496 0.909588 O\n0.826027 0.243504 0.590412 O\n0.673973 0.243504 0.090412 O\n0.173973 0.756496 0.409588 O\n",
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{
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"structure_string": "Rb1 Sc1 S2 O8\n1.0\n2.529818 -4.381772 0.000000\n2.529818 4.381772 0.000000\n0.000000 0.000000 8.768509\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.210598 S\n0.666667 0.333333 0.789402 S\n0.095961 0.361742 0.151378 O\n0.638258 0.734219 0.151378 O\n0.361742 0.095961 0.848622 O\n0.265781 0.904039 0.151378 O\n0.734219 0.638258 0.848622 O\n0.904039 0.265781 0.848622 O\n0.333333 0.666667 0.376825 O\n0.666667 0.333333 0.623175 O\n",
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{
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{
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{
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{
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"structure_string": "Rb2 Sc1 Tl1 I6\n1.0\n0.000000 6.256123 6.256123\n6.256123 0.000000 6.256123\n6.256123 6.256123 0.000000\nRb Sc Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.768564 0.231436 0.231436 I\n0.231436 0.231436 0.768564 I\n0.231436 0.768564 0.768564 I\n0.231436 0.768564 0.231436 I\n0.768564 0.231436 0.768564 I\n0.768564 0.768564 0.231436 I\n",
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{
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"structure_string": "Rb3 Sc1 V2 O8\n1.0\n-2.964490 -5.134647 0.000000\n-2.964490 5.134647 0.000000\n0.000000 0.000000 -7.907633\nRb Sc V O\n3 1 2 8\ndirect\n0.666667 0.333333 0.295954 Rb\n0.333333 0.666667 0.704046 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Sc\n0.666667 0.333333 0.730603 V\n0.333333 0.666667 0.269397 V\n0.666667 0.333333 0.943604 O\n0.333333 0.666667 0.056396 O\n0.829865 0.659730 0.657114 O\n0.170135 0.340270 0.342886 O\n0.829865 0.170135 0.657114 O\n0.170135 0.829865 0.342886 O\n0.340270 0.170135 0.657114 O\n0.659730 0.829865 0.342886 O\n",
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"spacegroup": 164
},
{
"id": "mp-1209159",
"created_at": "2022-09-04T14:48:22.460170Z",
"structure_string": "Rb1 Sc1 W2 O8\n1.0\n2.968229 -5.141124 0.000000\n2.968229 5.141124 0.000000\n0.000000 0.000000 7.840076\nRb Sc W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.267919 W\n0.666667 0.333333 0.732081 W\n0.164116 0.835884 0.339236 O\n0.835884 0.164116 0.660764 O\n0.164116 0.328232 0.339236 O\n0.835884 0.671768 0.660764 O\n0.671768 0.835884 0.339236 O\n0.328232 0.164116 0.660764 O\n0.333333 0.666667 0.041507 O\n0.666667 0.333333 0.958493 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "O-Rb-Sc-W",
"density": 4.344965130816837,
"density_atomic": 0.05015052629405601,
"volume": 239.27964244359836,
"volume_molar": 12.008130731648498,
"formula_full": "Rb1 Sc1 W2 O8",
"formula_reduced": "RbSc(WO4)2",
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"updated_at": "2021-11-28T01:38:55.771000Z",
"spacegroup": 164
},
{
"id": "mp-1209239",
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"structure_string": "Rb2 Sc2 W4 O16\n1.0\n5.129461 5.458626 0.000000\n-5.129461 5.458626 0.000000\n0.000000 4.786149 5.630393\nRb Sc W O\n2 2 4 16\ndirect\n0.198790 0.801210 0.750000 Rb\n0.801210 0.198790 0.250000 Rb\n0.780400 0.219600 0.750000 Sc\n0.219600 0.780400 0.250000 Sc\n0.703289 0.690485 0.791185 W\n0.296711 0.309515 0.208815 W\n0.309515 0.296711 0.708815 W\n0.690485 0.703289 0.291185 W\n0.618998 0.756623 0.562430 O\n0.381002 0.243377 0.437570 O\n0.243377 0.381002 0.937570 O\n0.756623 0.618998 0.062430 O\n0.347135 0.042747 0.892988 O\n0.652865 0.957253 0.107012 O\n0.957253 0.652865 0.607012 O\n0.042747 0.347135 0.392988 O\n0.602900 0.372868 0.952087 O\n0.397100 0.627132 0.047913 O\n0.627132 0.397100 0.547913 O\n0.372868 0.602900 0.452087 O\n0.767677 0.963850 0.703765 O\n0.232323 0.036150 0.296235 O\n0.036150 0.232323 0.796235 O\n0.963850 0.767677 0.203765 O\n",
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],
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"density": 6.59474891928242,
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"volume_molar": 7.911583891048272,
"formula_full": "Rb2 Sc2 W4 O16",
"formula_reduced": "RbSc(WO4)2",
"formula_anonymous": "ABC2D8",
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"updated_at": "2021-11-28T01:36:23.354000Z",
"spacegroup": 15
}
]
}