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{
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{
"id": "mp-1233953",
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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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{
"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",
"nsites": 23,
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"elements": [
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],
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"volume": 473.99897871864636,
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"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-1234132",
"created_at": "2022-09-04T14:48:12.240527Z",
"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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"formula_full": "Rb4 Mg1 Se4 O14",
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"updated_at": "2021-11-28T01:38:31.683000Z",
"spacegroup": 5
},
{
"id": "mp-1233356",
"created_at": "2022-09-04T14:46:07.522079Z",
"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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"elements": [
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],
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"formula_full": "Rb4 Mg1 Se4 O14",
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},
{
"id": "mp-1233109",
"created_at": "2022-09-04T14:48:10.632580Z",
"structure_string": "Rb4 Mg1 Se4 O14\n1.0\n7.084180 4.204419 -0.500822\n6.774497 -3.657525 -0.265315\n-0.119741 0.234910 -8.177955\nRb Mg Se O\n4 1 4 14\ndirect\n0.120988 0.602673 0.273335 Rb\n0.499225 0.792407 0.156514 Rb\n0.771668 0.510996 0.629532 Rb\n0.618109 0.168691 0.987960 Rb\n0.345477 0.223862 0.603326 Mg\n0.689079 0.108471 0.450290 Se\n0.965490 0.283363 0.107520 Se\n0.261692 0.910445 0.616907 Se\n0.115712 0.660507 0.830924 Se\n0.591472 0.197497 0.651258 O\n0.798257 0.390861 0.970006 O\n0.358041 0.718019 0.485143 O\n0.305776 0.583829 0.931699 O\n0.466493 0.187693 0.371094 O\n0.874328 0.437228 0.275616 O\n0.415809 0.922878 0.731230 O\n0.143957 0.510246 0.672551 O\n0.786500 0.855710 0.454390 O\n0.167981 0.270392 0.037747 O\n0.144087 0.141444 0.541012 O\n0.910878 0.748031 0.931924 O\n0.006817 0.050167 0.145576 O\n0.075494 0.899589 0.736113 O\n",
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],
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"formula_full": "Rb4 Mg1 Se4 O14",
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},
{
"id": "mp-1034675",
"created_at": "2022-09-04T14:39:12.185801Z",
"structure_string": "Rb1 Mg14 Si1 O16\n1.0\n8.742493 0.000000 0.000000\n0.000000 8.494827 0.000000\n0.000000 -0.000000 4.521699\nRb Mg Si O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.249672 0.500000 Mg\n0.000000 0.750328 0.500000 Mg\n0.500000 0.250813 0.500000 Mg\n0.500000 0.749187 0.500000 Mg\n0.250828 0.000000 0.500000 Mg\n0.255159 0.500000 0.500000 Mg\n0.749172 0.000000 0.500000 Mg\n0.744841 0.500000 0.500000 Mg\n0.259666 0.250851 0.000000 Mg\n0.259666 0.749149 0.000000 Mg\n0.740334 0.250851 -0.000000 Mg\n0.740334 0.749149 -0.000000 Mg\n0.000000 0.000000 0.000000 Si\n0.243690 0.000000 0.000000 O\n0.280126 0.500000 0.000000 O\n0.756310 0.000000 0.000000 O\n0.719874 0.500000 0.000000 O\n0.248795 0.249141 0.500000 O\n0.248795 0.750859 0.500000 O\n0.751205 0.249141 0.500000 O\n0.751205 0.750859 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.203568 0.000000 O\n0.000000 0.796432 -0.000000 O\n0.500000 0.241442 0.000000 O\n0.500000 0.758558 0.000000 O\n",
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"elements": [
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],
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"formula_full": "Rb1 Mg14 Si1 O16",
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},
{
"id": "mp-1034699",
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"structure_string": "Rb1 Mg14 Si1 O16\n1.0\n8.641257 0.000000 -0.000000\n-0.000000 8.641257 0.000000\n-0.000000 0.000000 4.511398\nRb Mg Si O\n1 14 1 16\ndirect\n0.500000 0.500000 -0.000000 Rb\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.250683 0.500000 Mg\n0.000000 0.749317 0.500000 Mg\n0.500000 0.248277 0.500000 Mg\n0.500000 0.751723 0.500000 Mg\n0.250683 0.000000 0.500000 Mg\n0.248277 0.500000 0.500000 Mg\n0.749317 0.000000 0.500000 Mg\n0.751723 0.500000 0.500000 Mg\n0.250774 0.250774 0.000000 Mg\n0.250774 0.749226 -0.000000 Mg\n0.749226 0.250774 0.000000 Mg\n0.749226 0.749226 -0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.224535 0.000000 -0.000000 O\n0.218054 0.500000 -0.000000 O\n0.775465 0.000000 0.000000 O\n0.781946 0.500000 0.000000 O\n0.248171 0.248171 0.500000 O\n0.248171 0.751829 0.500000 O\n0.751829 0.248171 0.500000 O\n0.751829 0.751829 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.224535 0.000000 O\n0.000000 0.775465 -0.000000 O\n0.500000 0.218054 0.000000 O\n0.500000 0.781946 0.000000 O\n",
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"elements": [
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"formula_full": "Rb1 Mg14 Si1 O16",
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"formula_anonymous": "ABC14D16",
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"spacegroup": 123
},
{
"id": "mp-1030873",
"created_at": "2022-09-04T14:46:15.985693Z",
"structure_string": "Rb1 Mg6 Si1 O8\n1.0\n8.736629 -0.000000 -0.000000\n-0.000000 4.560256 0.000000\n-0.000000 0.000000 4.560256\nRb Mg Si O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255697 0.000000 0.500000 Mg\n0.744303 -0.000000 0.500000 Mg\n0.255697 0.500000 -0.000000 Mg\n0.744303 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Si\n0.234158 -0.000000 -0.000000 O\n0.765842 0.000000 0.000000 O\n0.281698 0.500000 0.500000 O\n0.718302 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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"elements": [
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],
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"formula_full": "Rb1 Mg6 Si1 O8",
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},
{
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"structure_string": "Rb1 Mg6 Si1 O8\n1.0\n8.365386 0.000000 0.000000\n0.000000 4.694194 0.000000\n0.000000 0.000000 4.694194\nRb Mg Si O\n1 6 1 8\ndirect\n0.500000 -0.000000 0.000000 Rb\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251019 0.000000 0.500000 Mg\n0.748981 -0.000000 0.500000 Mg\n0.251019 0.500000 0.000000 Mg\n0.748981 0.500000 -0.000000 Mg\n-0.000000 -0.000000 0.000000 Si\n0.201854 -0.000000 0.000000 O\n0.798146 0.000000 -0.000000 O\n0.247903 0.500000 0.500000 O\n0.752097 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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O\n0.436578 0.353564 0.796485 O\n0.936578 0.146436 0.203515 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Rb-Si",
"density": 2.7259424881750096,
"density_atomic": 0.06222181470382804,
"volume": 2571.445412860265,
"volume_molar": 9.678503895563018,
"formula_full": "Rb16 Mg8 Si40 O96",
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"updated_at": "2021-11-28T01:38:30.959000Z",
"spacegroup": 61
},
{
"id": "mp-1020860",
"created_at": "2022-09-04T14:45:57.891305Z",
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"elements": [
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],
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"formula_full": "Rb16 Mg8 Si40 O96",
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"updated_at": "2021-11-28T01:37:14.247000Z",
"spacegroup": 61
},
{
"id": "mp-1039945",
"created_at": "2022-09-04T14:46:20.709901Z",
"structure_string": "Rb1 Mg30 Si1 O32\n1.0\n8.662137 0.000000 0.000000\n0.000000 8.662137 0.000000\n0.000000 0.000000 8.557142\nRb Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257025 0.000000 0.250610 Mg\n0.257025 0.000000 0.749390 Mg\n0.742975 0.000000 0.250610 Mg\n0.742975 0.000000 0.749390 Mg\n0.251332 0.500000 0.250704 Mg\n0.251332 0.500000 0.749296 Mg\n0.748668 0.500000 0.250704 Mg\n0.748668 0.500000 0.749296 Mg\n0.000000 0.257025 0.250610 Mg\n0.000000 0.257025 0.749390 Mg\n0.500000 0.251332 0.250704 Mg\n0.500000 0.251332 0.749296 Mg\n0.000000 0.742975 0.250610 Mg\n0.000000 0.742975 0.749390 Mg\n0.500000 0.748668 0.250704 Mg\n0.500000 0.748668 0.749296 Mg\n0.250813 0.250813 0.000000 Mg\n0.254061 0.254061 0.500000 Mg\n0.749187 0.250813 0.000000 Mg\n0.745939 0.254061 0.500000 Mg\n0.250813 0.749187 0.000000 Mg\n0.254061 0.745939 0.500000 Mg\n0.749187 0.749187 0.000000 Mg\n0.745939 0.745939 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.226581 0.000000 O\n0.000000 0.278550 0.500000 O\n0.500000 0.247436 0.000000 O\n0.500000 0.255290 0.500000 O\n0.000000 0.773419 0.000000 O\n0.000000 0.721450 0.500000 O\n0.500000 0.752564 0.000000 O\n0.500000 0.744710 0.500000 O\n0.248471 0.248471 0.249413 O\n0.248471 0.248471 0.750587 O\n0.751529 0.248471 0.249413 O\n0.751529 0.248471 0.750587 O\n0.248471 0.751529 0.249413 O\n0.248471 0.751529 0.750587 O\n0.751529 0.751529 0.249413 O\n0.751529 0.751529 0.750587 O\n0.000000 0.000000 0.203196 O\n0.000000 0.000000 0.796804 O\n0.500000 0.000000 0.239783 O\n0.500000 0.000000 0.760217 O\n0.000000 0.500000 0.239783 O\n0.000000 0.500000 0.760217 O\n0.500000 0.500000 0.246807 O\n0.500000 0.500000 0.753193 O\n0.226581 0.000000 0.000000 O\n0.278550 0.000000 0.500000 O\n0.773419 0.000000 0.000000 O\n0.721450 0.000000 0.500000 O\n0.247436 0.500000 0.000000 O\n0.255290 0.500000 0.500000 O\n0.752564 0.500000 0.000000 O\n0.744710 0.500000 0.500000 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:37:30.053000Z",
"spacegroup": 123
}
]
}