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{
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"results": [
{
"id": "mp-818272",
"created_at": "2022-09-04T14:42:19.835575Z",
"structure_string": "Rb4 Mo6 As8 O44\n1.0\n5.046032 10.766384 0.000000\n-5.046032 10.766384 0.000000\n0.000000 1.262372 9.561941\nRb Mo As O\n4 6 8 44\ndirect\n0.643702 0.107252 0.624423 Rb\n0.892748 0.356298 0.875577 Rb\n0.356298 0.892748 0.375577 Rb\n0.107252 0.643702 0.124423 Rb\n0.665565 0.975756 0.227559 Mo\n0.024244 0.334435 0.272441 Mo\n0.334435 0.024244 0.772441 Mo\n0.975756 0.665565 0.727559 Mo\n0.550889 0.449111 0.250000 Mo\n0.449111 0.550889 0.750000 Mo\n0.319092 0.199108 0.057703 As\n0.800892 0.680908 0.442297 As\n0.680908 0.800892 0.942297 As\n0.199108 0.319092 0.557703 As\n0.525487 0.284125 0.010540 As\n0.715875 0.474513 0.489460 As\n0.474513 0.715875 0.989460 As\n0.284125 0.525487 0.510540 As\n0.243062 0.174414 0.940003 O\n0.825586 0.756938 0.559997 O\n0.756938 0.825586 0.059997 O\n0.174414 0.243062 0.440003 O\n0.179181 0.339399 0.162449 O\n0.660601 0.820819 0.337551 O\n0.820819 0.660601 0.837551 O\n0.339399 0.179181 0.662449 O\n0.456110 0.046288 0.146919 O\n0.953712 0.543890 0.353081 O\n0.543890 0.953712 0.853081 O\n0.046288 0.456110 0.646919 O\n0.385646 0.286269 0.959186 O\n0.713731 0.614354 0.540814 O\n0.614354 0.713731 0.040814 O\n0.286269 0.385646 0.459186 O\n0.663449 0.108424 0.068620 O\n0.891576 0.336551 0.431380 O\n0.336551 0.891576 0.931380 O\n0.108424 0.663449 0.568620 O\n0.581945 0.330033 0.861841 O\n0.669967 0.418055 0.638159 O\n0.418055 0.669967 0.138159 O\n0.330033 0.581945 0.361841 O\n0.443425 0.406910 0.141224 O\n0.593090 0.556575 0.358776 O\n0.556575 0.593090 0.858776 O\n0.406910 0.443425 0.641224 O\n0.554834 0.109444 0.346973 O\n0.890556 0.445166 0.153027 O\n0.445166 0.890556 0.653027 O\n0.109444 0.554834 0.846973 O\n0.841432 0.894537 0.270721 O\n0.105463 0.158568 0.229279 O\n0.158568 0.105463 0.729279 O\n0.894537 0.841432 0.770721 O\n0.693713 0.378803 0.124050 O\n0.621197 0.306287 0.375950 O\n0.306287 0.621197 0.875950 O\n0.378803 0.693713 0.624050 O\n0.966457 0.032513 0.553691 O\n0.967487 0.033543 0.946309 O\n0.033543 0.967487 0.446309 O\n0.032513 0.966457 0.053691 O\n",
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],
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"formula_full": "Rb4 Mo6 As8 O44",
"formula_reduced": "Rb2Mo3(As2O11)2",
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"energy": -411.95699201,
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"updated_at": "2021-11-28T01:35:45.677000Z",
"spacegroup": 15
},
{
"id": "mp-1110587",
"created_at": "2022-09-04T14:44:58.266630Z",
"structure_string": "Rb2 Mo1 Au1 F6\n1.0\n6.447288 0.000000 0.000000\n3.223644 5.583515 0.000000\n3.223644 1.861172 5.264189\nRb Mo Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Au\n0.227954 0.772046 0.227954 F\n0.772046 0.772046 0.227954 F\n0.772046 0.227954 0.772046 F\n0.772046 0.227954 0.227954 F\n0.227954 0.772046 0.772046 F\n0.227954 0.227954 0.772046 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Au-F-Mo-Rb",
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"density_atomic": 0.05276959595572439,
"volume": 189.50306173256212,
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"formula_full": "Rb2 Mo1 Au1 F6",
"formula_reduced": "Rb2MoAuF6",
"formula_anonymous": "ABC2D6",
"energy": -51.57815827,
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"updated_at": "2021-11-28T01:36:44.175000Z",
"spacegroup": 225
},
{
"id": "mp-1209819",
"created_at": "2022-09-04T14:45:15.627672Z",
"structure_string": "Rb10 Mo4 Br18 O2\n1.0\n5.498463 -7.759656 0.000000\n5.498463 7.759656 0.000000\n0.000000 0.000000 14.709620\nRb Mo Br O\n10 4 18 2\ndirect\n0.370909 0.629091 0.757027 Rb\n0.629091 0.370909 0.257027 Rb\n0.935794 0.556447 0.915742 Rb\n0.064206 0.443553 0.415742 Rb\n0.556447 0.935794 0.415742 Rb\n0.443553 0.064206 0.915742 Rb\n0.775567 0.685901 0.616944 Rb\n0.224433 0.314099 0.116944 Rb\n0.685901 0.775567 0.116944 Rb\n0.314099 0.224433 0.616944 Rb\n0.960076 0.039924 0.875165 Mo\n0.039924 0.960076 0.375165 Mo\n0.776075 0.223925 0.652598 Mo\n0.223925 0.776075 0.152598 Mo\n0.821346 0.178654 0.981888 Br\n0.178654 0.821346 0.481888 Br\n0.646642 0.353358 0.768453 Br\n0.353358 0.646642 0.268453 Br\n0.921900 0.078100 0.559097 Br\n0.078100 0.921900 0.059097 Br\n0.683088 0.316912 0.507307 Br\n0.316912 0.683088 0.007307 Br\n0.202302 0.283847 0.872249 Br\n0.797698 0.716153 0.372249 Br\n0.283847 0.202302 0.372249 Br\n0.716153 0.797698 0.872249 Br\n0.019488 0.455668 0.663082 Br\n0.980512 0.544332 0.163082 Br\n0.455668 0.019488 0.163082 Br\n0.544332 0.980512 0.663082 Br\n0.893256 0.106744 0.277500 Br\n0.106744 0.893256 0.777500 Br\n0.466631 0.533369 0.606012 O\n0.533369 0.466631 0.106012 O\n",
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"elements": [
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"Br",
"O"
],
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"density": 3.5834074424596793,
"density_atomic": 0.027087173670974313,
"volume": 1255.2066307469072,
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"formula_full": "Rb10 Mo4 Br18 O2",
"formula_reduced": "Rb5Mo2Br9O",
"formula_anonymous": "AB2C5D9",
"energy": -140.02702548,
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"updated_at": "2021-11-28T01:36:59.948000Z",
"spacegroup": 36
},
{
"id": "mp-1202471",
"created_at": "2022-09-04T14:42:49.087505Z",
"structure_string": "Rb8 Mo4 C8 O32\n1.0\n13.527747 0.000000 0.000000\n0.000000 7.739852 0.000000\n0.000000 0.910772 9.175463\nRb Mo C O\n8 4 8 32\ndirect\n0.985697 0.774232 0.366307 Rb\n0.485697 0.725768 0.633693 Rb\n0.014303 0.225768 0.633693 Rb\n0.514303 0.274232 0.366307 Rb\n0.863948 0.334747 0.110306 Rb\n0.363948 0.165253 0.889694 Rb\n0.136052 0.665253 0.889694 Rb\n0.636052 0.834747 0.110306 Rb\n0.764437 0.061354 0.460748 Mo\n0.264437 0.438646 0.539252 Mo\n0.235563 0.938646 0.539252 Mo\n0.735563 0.561354 0.460748 Mo\n0.638051 0.034359 0.739569 C\n0.138051 0.465641 0.260431 C\n0.361949 0.965641 0.260431 C\n0.861949 0.534359 0.739569 C\n0.745711 0.066463 0.792975 C\n0.245711 0.433537 0.207025 C\n0.254289 0.933537 0.207025 C\n0.754289 0.566463 0.792975 C\n0.693115 0.087960 0.299597 O\n0.193115 0.412040 0.700403 O\n0.306885 0.912040 0.700403 O\n0.806885 0.587960 0.299597 O\n0.628776 0.034238 0.600187 O\n0.128776 0.465762 0.399813 O\n0.371224 0.965762 0.399813 O\n0.871224 0.534238 0.600187 O\n0.810816 0.082483 0.689610 O\n0.310816 0.417517 0.310390 O\n0.189184 0.917517 0.310390 O\n0.689184 0.582483 0.689610 O\n0.776653 0.825850 0.489184 O\n0.276653 0.674150 0.510816 O\n0.223347 0.174150 0.510816 O\n0.723347 0.325850 0.489184 O\n0.885669 0.122930 0.402920 O\n0.385669 0.377070 0.597080 O\n0.114331 0.877070 0.597080 O\n0.614331 0.622930 0.402920 O\n0.569390 0.006628 0.829186 O\n0.069390 0.493372 0.170814 O\n0.430610 0.993372 0.170814 O\n0.930610 0.506628 0.829186 O\n0.762953 0.072614 0.924650 O\n0.262953 0.427386 0.075350 O\n0.237047 0.927386 0.075350 O\n0.737047 0.572614 0.924650 O\n0.965204 0.947805 0.010536 O\n0.465204 0.552195 0.989464 O\n0.034796 0.052195 0.989464 O\n0.534796 0.447805 0.010536 O\n",
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],
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"formula_full": "Rb8 Mo4 C8 O32",
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"energy": -363.21704597,
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{
"id": "mp-554787",
"created_at": "2022-09-04T14:44:58.016367Z",
"structure_string": "Rb4 Mo4 I4 O24\n1.0\n7.499207 0.000000 0.000000\n0.000000 7.846863 0.000000\n0.000000 0.000000 10.465062\nRb Mo I O\n4 4 4 24\ndirect\n0.862985 0.018479 0.618442 Rb\n0.362985 0.981521 0.381558 Rb\n0.862985 0.518479 0.881558 Rb\n0.362985 0.481521 0.118442 Rb\n0.094545 0.507848 0.528706 Mo\n0.594545 0.492152 0.471294 Mo\n0.094545 0.007848 0.971294 Mo\n0.594545 0.992152 0.028706 Mo\n0.430887 0.278555 0.740912 I\n0.930887 0.221445 0.240912 I\n0.930887 0.721445 0.259088 I\n0.430887 0.778555 0.759088 I\n0.047611 0.278824 0.389808 O\n0.633639 0.362919 0.659490 O\n0.047611 0.778824 0.110192 O\n0.531909 0.131633 0.151334 O\n0.133639 0.137081 0.159490 O\n0.031909 0.868367 0.848666 O\n0.130203 0.701519 0.609060 O\n0.338539 0.437746 0.519365 O\n0.547611 0.721176 0.610192 O\n0.633639 0.862919 0.840510 O\n0.630203 0.798481 0.109060 O\n0.031909 0.368367 0.651334 O\n0.531909 0.631633 0.348666 O\n0.422272 0.571874 0.842875 O\n0.422272 0.071874 0.657125 O\n0.838539 0.562254 0.480635 O\n0.922272 0.428126 0.157125 O\n0.338539 0.937746 0.980635 O\n0.547611 0.221176 0.889808 O\n0.922272 0.928126 0.342875 O\n0.133639 0.637081 0.340510 O\n0.130203 0.201519 0.890940 O\n0.838539 0.062254 0.019365 O\n0.630203 0.298481 0.390940 O\n",
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},
{
"id": "mp-557228",
"created_at": "2022-09-04T14:40:10.588162Z",
"structure_string": "Rb2 Mo1 I6 O18\n1.0\n5.189506 -5.879880 0.000000\n5.189506 5.879880 0.000000\n-1.472590 0.000000 7.702950\nRb Mo I O\n2 1 6 18\ndirect\n0.168655 0.168655 0.168655 Rb\n0.831345 0.831345 0.831345 Rb\n0.500000 0.500000 0.500000 Mo\n0.331704 0.704028 0.132411 I\n0.132411 0.331704 0.704028 I\n0.867589 0.668296 0.295972 I\n0.668296 0.295972 0.867589 I\n0.704028 0.132411 0.331704 I\n0.295972 0.867589 0.668296 I\n0.904058 0.286153 0.389514 O\n0.096555 0.690018 0.088904 O\n0.095942 0.713847 0.610486 O\n0.446382 0.695158 0.677948 O\n0.553619 0.304842 0.322052 O\n0.322052 0.553619 0.304842 O\n0.286153 0.389514 0.904058 O\n0.677948 0.446381 0.695158 O\n0.713847 0.610486 0.095942 O\n0.088904 0.096555 0.690018 O\n0.389514 0.904058 0.286153 O\n0.610486 0.095942 0.713847 O\n0.690018 0.088904 0.096555 O\n0.695158 0.677948 0.446381 O\n0.911096 0.903445 0.309982 O\n0.304842 0.322052 0.553619 O\n0.903445 0.309982 0.911096 O\n0.309982 0.911096 0.903445 O\n",
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"formula_full": "Rb2 Mo1 I6 O18",
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},
{
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{
"id": "mp-559696",
"created_at": "2022-09-04T14:44:57.211525Z",
"structure_string": "Rb12 Mo16 P16 O88\n1.0\n10.276747 0.000000 0.000000\n0.000000 10.276747 0.000000\n0.000000 0.000000 19.550356\nRb Mo P O\n12 16 16 88\ndirect\n0.113001 0.007792 0.123068 Rb\n0.886999 0.992208 0.623068 Rb\n0.507792 0.386999 0.373068 Rb\n0.492208 0.613001 0.873068 Rb\n0.992208 0.886999 0.376932 Rb\n0.007792 0.113001 0.876932 Rb\n0.386999 0.507792 0.626932 Rb\n0.613001 0.492208 0.126932 Rb\n0.791864 0.791864 0.000000 Rb\n0.208136 0.208136 0.500000 Rb\n0.291864 0.708136 0.250000 Rb\n0.708136 0.291864 0.750000 Rb\n0.482886 0.135838 0.188767 Mo\n0.517114 0.864162 0.688767 Mo\n0.635838 0.017114 0.438767 Mo\n0.364162 0.982886 0.938767 Mo\n0.864162 0.517114 0.311233 Mo\n0.135838 0.482886 0.811233 Mo\n0.017114 0.635838 0.561233 Mo\n0.982886 0.364162 0.061233 Mo\n0.744418 0.894050 0.185339 Mo\n0.255582 0.105950 0.685339 Mo\n0.394050 0.755582 0.435339 Mo\n0.605950 0.244418 0.935339 Mo\n0.105950 0.255582 0.314661 Mo\n0.894050 0.744418 0.814661 Mo\n0.755582 0.394050 0.564661 Mo\n0.244418 0.605950 0.064661 Mo\n0.737632 0.155784 0.080276 P\n0.262368 0.844216 0.580276 P\n0.655784 0.762368 0.330276 P\n0.344216 0.237632 0.830276 P\n0.844216 0.262368 0.419724 P\n0.155784 0.737632 0.919724 P\n0.762368 0.655784 0.669724 P\n0.237632 0.344216 0.169724 P\n0.454564 0.855866 0.089998 P\n0.545436 0.144134 0.589998 P\n0.355866 0.045436 0.339998 P\n0.644134 0.954564 0.839998 P\n0.144134 0.545436 0.410002 P\n0.855866 0.454564 0.910002 P\n0.045436 0.355866 0.660002 P\n0.954564 0.644134 0.160002 P\n0.522292 0.271940 0.236430 O\n0.477708 0.728060 0.736430 O\n0.771940 0.977708 0.486430 O\n0.228060 0.022292 0.986430 O\n0.728060 0.477708 0.263570 O\n0.271940 0.522292 0.763570 O\n0.977708 0.771940 0.513570 O\n0.022292 0.228060 0.013570 O\n0.616856 0.018867 0.213741 O\n0.383144 0.981133 0.713741 O\n0.518867 0.883144 0.463741 O\n0.481133 0.116856 0.963741 O\n0.981133 0.383144 0.286259 O\n0.018867 0.616856 0.786259 O\n0.883144 0.518867 0.536259 O\n0.116856 0.481133 0.036259 O\n0.598143 0.183943 0.106477 O\n0.401857 0.816057 0.606477 O\n0.683943 0.901857 0.356477 O\n0.316057 0.098143 0.856477 O\n0.816057 0.401857 0.393523 O\n0.183943 0.598143 0.893523 O\n0.901857 0.683943 0.643523 O\n0.098143 0.316057 0.143523 O\n0.363038 0.049256 0.259990 O\n0.636962 0.950744 0.759990 O\n0.549256 0.136962 0.509990 O\n0.450744 0.863038 0.009990 O\n0.950744 0.636962 0.240010 O\n0.049256 0.363038 0.740010 O\n0.136962 0.549256 0.490010 O\n0.863038 0.450744 0.990010 O\n0.326577 0.233480 0.142896 O\n0.673423 0.766520 0.642896 O\n0.733480 0.173423 0.392896 O\n0.266520 0.826577 0.892896 O\n0.766520 0.673423 0.357104 O\n0.233480 0.326577 0.857104 O\n0.173423 0.733480 0.607104 O\n0.826577 0.266520 0.107104 O\n0.408747 0.983687 0.123032 O\n0.591253 0.016313 0.623032 O\n0.483687 0.091253 0.373032 O\n0.516313 0.908747 0.873032 O\n0.016313 0.591253 0.376968 O\n0.983687 0.408747 0.876968 O\n0.091253 0.483687 0.626968 O\n0.908747 0.516313 0.126968 O\n0.874229 0.933447 0.236752 O\n0.125771 0.066553 0.736752 O\n0.433447 0.625771 0.486752 O\n0.566553 0.374229 0.986752 O\n0.066553 0.125771 0.263248 O\n0.933447 0.874229 0.763248 O\n0.625771 0.433447 0.513248 O\n0.374229 0.566553 0.013248 O\n0.656078 0.762878 0.250593 O\n0.343922 0.237122 0.750593 O\n0.262878 0.843922 0.500593 O\n0.737122 0.156078 0.000593 O\n0.237122 0.343922 0.249407 O\n0.762878 0.656078 0.749407 O\n0.843922 0.262878 0.499407 O\n0.156078 0.737122 0.999407 O\n0.855454 0.751214 0.136201 O\n0.144546 0.248786 0.636201 O\n0.251214 0.644546 0.386201 O\n0.748786 0.355454 0.886201 O\n0.248786 0.144546 0.363799 O\n0.751214 0.855454 0.863799 O\n0.644546 0.251214 0.613799 O\n0.355454 0.748786 0.113799 O\n0.790234 0.019782 0.103164 O\n0.209766 0.980218 0.603164 O\n0.519782 0.709766 0.353164 O\n0.480218 0.290234 0.853164 O\n0.980218 0.209766 0.396836 O\n0.019782 0.790234 0.896836 O\n0.709766 0.519782 0.646836 O\n0.290234 0.480218 0.146836 O\n0.593634 0.815886 0.111960 O\n0.406366 0.184114 0.611960 O\n0.315886 0.906366 0.361960 O\n0.684114 0.093634 0.861960 O\n0.184114 0.406366 0.388040 O\n0.815886 0.593634 0.888040 O\n0.906366 0.315886 0.638040 O\n0.093634 0.684114 0.138040 O\n",
"nsites": 132,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P-Rb",
"density": 3.590251659218981,
"density_atomic": 0.06393047501983508,
"volume": 2064.7429877385653,
"volume_molar": 9.419827958624692,
"formula_full": "Rb12 Mo16 P16 O88",
"formula_reduced": "Rb3Mo4(P2O11)2",
"formula_anonymous": "A3B4C4D22",
"energy": -1024.76638544,
"energy_per_atom": -7.763381707878788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -913.07838544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3789861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.183000Z",
"spacegroup": 96
}
]
}