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{
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{
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{
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{
"id": "mp-1033561",
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"structure_string": "Rb1 Mg6 Sb1 O8\n1.0\n9.039098 0.000000 0.000000\n-0.000000 4.678868 0.000000\n0.000000 0.000000 4.678868\nRb Mg Sb O\n1 6 1 8\ndirect\n-0.000000 0.000000 -0.000000 Rb\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.235189 0.000000 0.500000 Mg\n0.764811 -0.000000 0.500000 Mg\n0.235189 0.500000 0.000000 Mg\n0.764811 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Sb\n0.267570 -0.000000 0.000000 O\n0.732430 0.000000 -0.000000 O\n0.252257 0.500000 0.500000 O\n0.747743 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Rb1 Mg6 Sb1 O8\n1.0\n9.021734 0.000000 -0.000000\n0.000000 4.648952 0.000000\n0.000000 0.000000 4.648952\nRb Mg Sb O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.271029 0.000000 0.500000 Mg\n0.728971 -0.000000 0.500000 Mg\n0.271029 0.500000 0.000000 Mg\n0.728971 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Sb\n0.284040 0.000000 0.000000 O\n0.715960 0.000000 -0.000000 O\n0.265489 0.500000 0.500000 O\n0.734511 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Rb4 Mg1 Se4 O14\n1.0\n7.472322 4.309821 -0.444345\n7.108729 -3.637024 -0.387091\n-0.096854 0.026553 -8.177499\nRb Mg Se O\n4 1 4 14\ndirect\n0.180977 0.498948 0.370768 Rb\n0.440701 0.845226 0.143724 Rb\n0.679362 0.543985 0.577481 Rb\n0.660231 0.076052 0.824474 Rb\n0.066650 0.381186 0.854192 Mg\n0.706387 0.060077 0.359194 Se\n0.888038 0.310243 0.112174 Se\n0.219142 0.995608 0.652852 Se\n0.178360 0.645880 0.892712 Se\n0.604173 0.251493 0.488004 O\n0.807440 0.419146 0.920743 O\n0.296556 0.883248 0.475298 O\n0.271577 0.627751 0.072789 O\n0.563133 0.104672 0.209182 O\n0.796554 0.491260 0.250296 O\n0.391306 0.914257 0.781732 O\n0.289493 0.415744 0.801585 O\n0.776619 0.846347 0.462344 O\n0.115671 0.235941 0.076774 O\n0.105827 0.248941 0.634911 O\n0.966198 0.675853 0.918211 O\n0.907271 0.027029 0.274996 O\n0.054999 0.959445 0.737233 O\n",
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{
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"structure_string": "Rb4 Mg1 Se4 O14\n1.0\n7.605605 4.087076 0.412532\n7.605605 -4.087076 0.412532\n-0.952734 0.000000 -7.375638\nRb Mg Se O\n4 1 4 14\ndirect\n0.033010 0.625370 0.332610 Rb\n0.374630 0.966990 0.167390 Rb\n0.880862 0.406969 0.699860 Rb\n0.593032 0.119138 0.800140 Rb\n0.526344 0.473656 0.250000 Mg\n0.700586 0.107395 0.352341 Se\n0.892605 0.299414 0.147659 Se\n0.333419 0.831912 0.630947 Se\n0.168088 0.666581 0.869053 Se\n0.646612 0.284100 0.518403 O\n0.715899 0.353388 0.981597 O\n0.352556 0.693305 0.440596 O\n0.306694 0.647444 0.059404 O\n0.517358 0.237183 0.190838 O\n0.762817 0.482642 0.309162 O\n0.518617 0.756152 0.778024 O\n0.243848 0.481383 0.721976 O\n0.658726 0.953150 0.419210 O\n0.046850 0.341274 0.080790 O\n0.235095 0.049275 0.589067 O\n0.950725 0.764905 0.910933 O\n0.901208 0.098792 0.250000 O\n0.148751 0.851249 0.750000 O\n",
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{
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{
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"structure_string": "Rb4 Mg1 Se4 O14\n1.0\n6.913651 3.803507 -0.114580\n7.219202 -4.330572 -0.197189\n-0.375155 -0.068342 -8.179318\nRb Mg Se O\n4 1 4 14\ndirect\n0.169736 0.497458 0.352383 Rb\n0.491754 0.791574 0.173220 Rb\n0.800346 0.402021 0.639611 Rb\n0.475889 0.256827 0.946824 Rb\n0.693719 0.910812 0.668875 Mg\n0.727267 0.060370 0.390065 Se\n0.919624 0.315916 0.107459 Se\n0.299522 0.898515 0.626652 Se\n0.098084 0.722982 0.857479 Se\n0.638099 0.153428 0.586855 O\n0.721688 0.412656 0.978248 O\n0.362501 0.725486 0.501102 O\n0.226666 0.664904 0.028350 O\n0.524892 0.139660 0.268996 O\n0.843935 0.422201 0.289523 O\n0.491931 0.857367 0.751655 O\n0.167828 0.562260 0.718366 O\n0.779455 0.835469 0.444215 O\n0.088928 0.362028 0.037561 O\n0.190243 0.106064 0.550897 O\n0.854265 0.837938 0.877175 O\n0.009952 0.090167 0.122628 O\n0.115342 0.915563 0.765193 O\n",
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"elements": [
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],
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"formula_full": "Rb4 Mg1 Se4 O14",
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"updated_at": "2021-11-28T01:37:38.855000Z",
"spacegroup": 1
},
{
"id": "mp-1233611",
"created_at": "2022-09-04T14:41:21.154887Z",
"structure_string": "Rb4 Mg1 Se4 O14\n1.0\n7.168810 4.091987 0.162553\n7.168810 -4.091987 0.162553\n-0.715903 0.000000 -8.095391\nRb Mg Se O\n4 1 4 14\ndirect\n0.172584 0.525168 0.346785 Rb\n0.474832 0.827416 0.153215 Rb\n0.779621 0.523853 0.553975 Rb\n0.476147 0.220379 0.946025 Rb\n0.891154 0.108846 0.750000 Mg\n0.719029 0.068797 0.391535 Se\n0.931203 0.280971 0.108465 Se\n0.297571 0.910227 0.639026 Se\n0.089773 0.702429 0.860974 Se\n0.687190 0.201447 0.581909 O\n0.798552 0.312810 0.918091 O\n0.359599 0.767450 0.472115 O\n0.232549 0.640401 0.027885 O\n0.497401 0.149524 0.305955 O\n0.850476 0.502599 0.194045 O\n0.475843 0.879248 0.767002 O\n0.120752 0.524157 0.732998 O\n0.801829 0.844894 0.447254 O\n0.155106 0.198171 0.052746 O\n0.120589 0.128569 0.616822 O\n0.871431 0.879411 0.883178 O\n0.854078 0.145923 0.250000 O\n0.142693 0.857307 0.750000 O\n",
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"elements": [
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],
"chemical_system": "Mg-O-Rb-Se",
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"density_atomic": 0.048523311299479004,
"volume": 473.99897871864636,
"volume_molar": 12.410819869304055,
"formula_full": "Rb4 Mg1 Se4 O14",
"formula_reduced": "Rb4Mg(Se2O7)2",
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"energy": -125.39667887,
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"updated_at": "2021-11-28T01:35:15.858000Z",
"spacegroup": 5
},
{
"id": "mp-1039943",
"created_at": "2022-09-04T14:41:55.600992Z",
"structure_string": "Rb1 Mg30 Si1 O32\n1.0\n8.634433 0.000000 0.000000\n0.000000 8.634433 0.000000\n0.000000 0.000000 8.651369\nRb Mg Si O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249375 0.249375 0.000000 Mg\n0.249375 0.750625 0.000000 Mg\n0.750625 0.249375 0.000000 Mg\n0.750625 0.750625 0.000000 Mg\n0.250721 0.250721 0.500000 Mg\n0.250721 0.749279 0.500000 Mg\n0.749279 0.250721 0.500000 Mg\n0.749279 0.749279 0.500000 Mg\n0.000000 0.251548 0.251704 Mg\n0.000000 0.748452 0.251704 Mg\n0.500000 0.248153 0.253863 Mg\n0.500000 0.751847 0.253863 Mg\n0.000000 0.251548 0.748296 Mg\n0.000000 0.748452 0.748296 Mg\n0.500000 0.248153 0.746137 Mg\n0.500000 0.751847 0.746137 Mg\n0.251548 0.000000 0.251704 Mg\n0.248153 0.500000 0.253863 Mg\n0.748452 0.000000 0.251704 Mg\n0.751847 0.500000 0.253863 Mg\n0.251548 0.000000 0.748296 Mg\n0.248153 0.500000 0.746137 Mg\n0.748452 0.000000 0.748296 Mg\n0.751847 0.500000 0.746137 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.221636 O\n0.000000 0.500000 0.252230 O\n0.500000 0.000000 0.252230 O\n0.500000 0.500000 0.279001 O\n0.000000 0.000000 0.778365 O\n0.000000 0.500000 0.747770 O\n0.500000 0.000000 0.747770 O\n0.500000 0.500000 0.720999 O\n0.248848 0.248848 0.248312 O\n0.248848 0.751152 0.248312 O\n0.751152 0.248848 0.248312 O\n0.751152 0.751152 0.248312 O\n0.248848 0.248848 0.751688 O\n0.248848 0.751152 0.751688 O\n0.751152 0.248848 0.751688 O\n0.751152 0.751152 0.751688 O\n0.000000 0.216176 0.000000 O\n0.000000 0.783824 0.000000 O\n0.500000 0.218736 0.000000 O\n0.500000 0.781264 0.000000 O\n0.000000 0.243524 0.500000 O\n0.000000 0.756476 0.500000 O\n0.500000 0.242668 0.500000 O\n0.500000 0.757332 0.500000 O\n0.216176 0.000000 0.000000 O\n0.218736 0.500000 0.000000 O\n0.783824 0.000000 0.000000 O\n0.781264 0.500000 0.000000 O\n0.243524 0.000000 0.500000 O\n0.242668 0.500000 0.500000 O\n0.756476 0.000000 0.500000 O\n0.757332 0.500000 0.500000 O\n",
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"elements": [
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],
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"density_atomic": 0.09922645826785617,
"volume": 644.9892611024737,
"volume_molar": 6.069087686011703,
"formula_full": "Rb1 Mg30 Si1 O32",
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"updated_at": "2021-11-28T01:35:32.762000Z",
"spacegroup": 123
},
{
"id": "mp-1080284",
"created_at": "2022-09-04T14:48:00.258150Z",
"structure_string": "Rb16 Mg8 Si40 O96\n1.0\n13.634821 0.000000 0.000000\n-0.000000 13.658398 0.000000\n0.000000 0.000000 13.807915\nRb Mg Si O\n16 8 40 96\ndirect\n0.646675 0.152979 0.354227 Rb\n0.146675 0.347021 0.645773 Rb\n0.353325 0.652979 0.145773 Rb\n0.853325 0.847021 0.854227 Rb\n0.353325 0.847021 0.645773 Rb\n0.853325 0.652979 0.354227 Rb\n0.646675 0.347021 0.854227 Rb\n0.146675 0.152979 0.145773 Rb\n0.899691 0.389209 0.108870 Rb\n0.399691 0.110791 0.891130 Rb\n0.100309 0.889209 0.391130 Rb\n0.600309 0.610791 0.608870 Rb\n0.100309 0.610791 0.891130 Rb\n0.600309 0.889209 0.108870 Rb\n0.899691 0.110791 0.608870 Rb\n0.399691 0.389209 0.391130 Rb\n0.868612 0.828606 0.564939 Mg\n0.368612 0.671394 0.435061 Mg\n0.131388 0.328606 0.935061 Mg\n0.631388 0.171394 0.064939 Mg\n0.131388 0.171394 0.435061 Mg\n0.631388 0.328606 0.564939 Mg\n0.868612 0.671394 0.064939 Mg\n0.368612 0.828606 0.935061 Mg\n0.607079 0.656843 0.899621 Si\n0.107079 0.843157 0.100379 Si\n0.392921 0.156843 0.600379 Si\n0.892921 0.343157 0.399621 Si\n0.392921 0.343157 0.100379 Si\n0.892921 0.156843 0.899621 Si\n0.607079 0.843157 0.399621 Si\n0.107079 0.656843 0.600379 Si\n0.104070 0.110696 0.860133 Si\n0.604070 0.389304 0.139867 Si\n0.895930 0.610696 0.639867 Si\n0.395930 0.889304 0.360133 Si\n0.895930 0.889304 0.139867 Si\n0.395930 0.610696 0.860133 Si\n0.104070 0.389304 0.360133 Si\n0.604070 0.110696 0.639867 Si\n0.141160 0.615407 0.384008 Si\n0.641160 0.884593 0.615992 Si\n0.858840 0.115407 0.115992 Si\n0.358840 0.384593 0.884008 Si\n0.858840 0.384593 0.615992 Si\n0.358840 0.115407 0.384008 Si\n0.141160 0.884593 0.884008 Si\n0.641160 0.615407 0.115992 Si\n0.426009 0.373245 0.678333 Si\n0.926009 0.126755 0.321667 Si\n0.573991 0.873245 0.821667 Si\n0.073991 0.626755 0.178333 Si\n0.573991 0.626755 0.321667 Si\n0.073991 0.873245 0.678333 Si\n0.426009 0.126755 0.178333 Si\n0.926009 0.373245 0.821667 Si\n0.322251 0.922001 0.149859 Si\n0.822251 0.577999 0.850141 Si\n0.677749 0.422001 0.350141 Si\n0.177749 0.077999 0.649859 Si\n0.677749 0.077999 0.850141 Si\n0.177749 0.422001 0.149859 Si\n0.322251 0.577999 0.649859 Si\n0.822251 0.922001 0.350141 Si\n0.983085 0.393612 0.338364 O\n0.483085 0.106388 0.661636 O\n0.016915 0.893612 0.161636 O\n0.516915 0.606388 0.838364 O\n0.016915 0.606388 0.661636 O\n0.516915 0.893612 0.338364 O\n0.983085 0.106388 0.838364 O\n0.483085 0.393612 0.161636 O\n0.643277 0.496570 0.105861 O\n0.143277 0.003430 0.894139 O\n0.356723 0.996570 0.394139 O\n0.856723 0.503430 0.605861 O\n0.356723 0.503430 0.894139 O\n0.856723 0.996570 0.105861 O\n0.643277 0.003430 0.605861 O\n0.143277 0.496570 0.394139 O\n0.913546 0.156084 0.016224 O\n0.413546 0.343916 0.983776 O\n0.086454 0.656084 0.483776 O\n0.586454 0.843916 0.516224 O\n0.086454 0.843916 0.983776 O\n0.586454 0.656084 0.016224 O\n0.913546 0.343916 0.516224 O\n0.413546 0.156084 0.483776 O\n0.253290 0.340042 0.866134 O\n0.753290 0.159958 0.133866 O\n0.746710 0.840042 0.633866 O\n0.246710 0.659958 0.366134 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O\n0.436578 0.353564 0.796485 O\n0.936578 0.146436 0.203515 O\n",
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"elements": [
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],
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"formula_full": "Rb16 Mg8 Si40 O96",
"formula_reduced": "Rb2MgSi5O12",
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"energy": -1218.6019388,
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"updated_at": "2021-11-28T01:38:30.959000Z",
"spacegroup": 61
}
]
}