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{
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{
"id": "mp-1209322",
"created_at": "2022-09-04T14:41:09.205171Z",
"structure_string": "Rb4 Sm4 Se8 O32\n1.0\n7.453823 0.000000 0.000000\n0.000000 9.318802 0.000000\n0.000000 0.234410 11.152054\nRb Sm Se O\n4 4 8 32\ndirect\n0.354763 0.436276 0.840504 Rb\n0.645237 0.563724 0.159496 Rb\n0.854763 0.563724 0.659496 Rb\n0.145237 0.436276 0.340504 Rb\n0.168117 0.947333 0.848181 Sm\n0.831883 0.052667 0.151819 Sm\n0.668117 0.052667 0.651819 Sm\n0.331883 0.947333 0.348181 Sm\n0.167272 0.178339 0.608635 Se\n0.832728 0.821661 0.391365 Se\n0.667272 0.821661 0.891365 Se\n0.332728 0.178339 0.108635 Se\n0.341558 0.735442 0.587994 Se\n0.658442 0.264558 0.412006 Se\n0.841558 0.264558 0.912006 Se\n0.158442 0.735442 0.087994 Se\n0.827641 0.884920 0.529943 O\n0.172359 0.115080 0.470057 O\n0.327641 0.115080 0.970057 O\n0.672359 0.884920 0.029943 O\n0.502925 0.908974 0.812766 O\n0.497075 0.091026 0.187234 O\n0.002925 0.091026 0.687234 O\n0.997075 0.908974 0.312766 O\n0.148362 0.353612 0.605431 O\n0.851638 0.646388 0.394569 O\n0.648362 0.646388 0.894569 O\n0.351638 0.353612 0.105431 O\n0.259493 0.717548 0.954187 O\n0.740507 0.282452 0.045813 O\n0.759493 0.282452 0.545813 O\n0.240507 0.717548 0.454187 O\n0.455126 0.889425 0.554430 O\n0.544874 0.110575 0.445570 O\n0.955126 0.110575 0.945570 O\n0.044874 0.889425 0.054430 O\n0.472373 0.601285 0.626992 O\n0.527627 0.398715 0.373008 O\n0.972373 0.398715 0.873008 O\n0.027627 0.601285 0.126992 O\n0.844713 0.871947 0.803453 O\n0.155287 0.128053 0.196547 O\n0.344713 0.128053 0.696547 O\n0.655287 0.871947 0.303453 O\n0.187860 0.766781 0.694635 O\n0.812140 0.233219 0.305365 O\n0.687860 0.233219 0.805365 O\n0.312140 0.766781 0.194635 O\n",
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"formula_full": "Rb4 Sm4 Se8 O32",
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"updated_at": "2021-11-28T01:35:19.855000Z",
"spacegroup": 14
},
{
"id": "mp-1209136",
"created_at": "2022-09-04T14:44:17.332603Z",
"structure_string": "Rb2 Sm2 W4 O16\n1.0\n5.402389 5.480509 0.000000\n-5.402389 5.480509 0.000000\n0.000000 4.850070 5.784754\nRb Sm W O\n2 2 4 16\ndirect\n0.199448 0.800552 0.750000 Rb\n0.800552 0.199448 0.250000 Rb\n0.775291 0.224709 0.750000 Sm\n0.224709 0.775291 0.250000 Sm\n0.697955 0.687717 0.778920 W\n0.302045 0.312283 0.221080 W\n0.312283 0.302045 0.721080 W\n0.687717 0.697955 0.278920 W\n0.620483 0.752110 0.559133 O\n0.379517 0.247890 0.440867 O\n0.247890 0.379517 0.940867 O\n0.752110 0.620483 0.059133 O\n0.380007 0.067216 0.870178 O\n0.619993 0.932784 0.129822 O\n0.932784 0.619993 0.629822 O\n0.067216 0.380007 0.370178 O\n0.586530 0.370235 0.970516 O\n0.413470 0.629765 0.029484 O\n0.629765 0.413470 0.529484 O\n0.370235 0.586530 0.470516 O\n0.786257 0.948954 0.691952 O\n0.213743 0.051046 0.308048 O\n0.051046 0.213743 0.808048 O\n0.948954 0.786257 0.191952 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Rb-Sm-W",
"density": 7.092079026553596,
"density_atomic": 0.0700631410020886,
"volume": 342.5481595134959,
"volume_molar": 8.595305140288355,
"formula_full": "Rb2 Sm2 W4 O16",
"formula_reduced": "RbSm(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -206.18176482,
"energy_per_atom": -8.590906867500001,
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"updated_at": "2021-11-28T01:36:27.905000Z",
"spacegroup": 15
},
{
"id": "mp-15108",
"created_at": "2022-09-04T14:47:22.467051Z",
"structure_string": "Rb8 Sn8 As8 O40\n1.0\n6.925120 0.000000 0.000000\n0.000000 11.120541 0.000000\n0.000000 0.000000 13.875815\nRb Sn As O\n8 8 8 40\ndirect\n0.779045 0.796266 0.378220 Rb\n0.279045 0.296266 0.121780 Rb\n0.720955 0.796266 0.878220 Rb\n0.310384 0.052533 0.888621 Rb\n0.810384 0.552533 0.611379 Rb\n0.689616 0.552533 0.111379 Rb\n0.189616 0.052533 0.388621 Rb\n0.220955 0.296266 0.621780 Rb\n0.746400 0.236634 0.750108 Sn\n0.253600 0.736634 0.249892 Sn\n0.753600 0.236634 0.250108 Sn\n0.501175 0.985189 0.626927 Sn\n0.498825 0.485189 0.373073 Sn\n0.998825 0.985189 0.126927 Sn\n0.001175 0.485189 0.873073 Sn\n0.246400 0.736634 0.749892 Sn\n0.997792 0.987468 0.676027 As\n0.002208 0.487468 0.323973 As\n0.502208 0.987468 0.176027 As\n0.497792 0.487468 0.823973 As\n0.166881 0.733848 0.002399 As\n0.833119 0.233848 0.997601 As\n0.333119 0.733848 0.502399 As\n0.666881 0.233848 0.497601 As\n0.467811 0.871578 0.256481 O\n0.532189 0.371578 0.743519 O\n0.032189 0.871578 0.756481 O\n0.967811 0.371578 0.243519 O\n0.971709 0.109966 0.751503 O\n0.028291 0.609966 0.248497 O\n0.528291 0.109966 0.251503 O\n0.471709 0.609966 0.748497 O\n0.047488 0.863227 0.231583 O\n0.952512 0.363227 0.768417 O\n0.452512 0.863227 0.731583 O\n0.547488 0.363227 0.268417 O\n0.531072 0.120230 0.722891 O\n0.468928 0.620230 0.277109 O\n0.968928 0.120230 0.222891 O\n0.816807 0.210165 0.400622 O\n0.031072 0.620230 0.777109 O\n0.303829 0.457906 0.897512 O\n0.803829 0.957906 0.602488 O\n0.196171 0.457906 0.397512 O\n0.192835 0.015779 0.602275 O\n0.807165 0.515779 0.397725 O\n0.307165 0.015779 0.102275 O\n0.692835 0.515779 0.897725 O\n0.509749 0.114546 0.511961 O\n0.490251 0.614546 0.488039 O\n0.990251 0.114546 0.011961 O\n0.009749 0.614546 0.988039 O\n0.019661 0.858879 0.014125 O\n0.980339 0.358879 0.985875 O\n0.480339 0.858879 0.514125 O\n0.519661 0.358879 0.485875 O\n0.811021 0.259486 0.596535 O\n0.188979 0.759486 0.403465 O\n0.688979 0.259486 0.096535 O\n0.311021 0.759486 0.903465 O\n0.316807 0.710165 0.099378 O\n0.683193 0.210165 0.900622 O\n0.183193 0.710165 0.599378 O\n0.696171 0.957906 0.102488 O\n",
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"elements": [
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],
"chemical_system": "As-O-Rb-Sn",
"density": 4.464146267500521,
"density_atomic": 0.059891922515307165,
"volume": 1068.5915113785652,
"volume_molar": 10.055013275723221,
"formula_full": "Rb8 Sn8 As8 O40",
"formula_reduced": "RbSnAsO5",
"formula_anonymous": "ABCD5",
"energy": -404.65579001,
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"updated_at": "2021-11-28T01:38:06.041000Z",
"spacegroup": 33
},
{
"id": "mp-1219774",
"created_at": "2022-09-04T14:43:18.103508Z",
"structure_string": "Rb12 Sn2 As6 O1\n1.0\n5.990111 -10.375176 0.000000\n5.990111 10.375176 0.000000\n0.000000 0.000000 6.123739\nRb Sn As O\n12 2 6 1\ndirect\n0.115964 0.884036 0.271174 Rb\n0.115964 0.231928 0.271174 Rb\n0.768072 0.884036 0.271174 Rb\n0.884036 0.115964 0.728826 Rb\n0.884036 0.768072 0.728826 Rb\n0.231928 0.115964 0.728826 Rb\n0.456677 0.543323 0.249398 Rb\n0.456677 0.913354 0.249398 Rb\n0.086646 0.543323 0.249398 Rb\n0.543323 0.456677 0.750602 Rb\n0.543323 0.086646 0.750602 Rb\n0.913354 0.456677 0.750602 Rb\n0.333333 0.666667 0.751155 Sn\n0.666667 0.333333 0.248845 Sn\n0.790586 0.209414 0.248028 As\n0.790586 0.581172 0.248028 As\n0.418828 0.209414 0.248028 As\n0.209414 0.790586 0.751972 As\n0.209414 0.418828 0.751972 As\n0.581172 0.790586 0.751972 As\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Rb12 Sn2 As6 O1",
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"spacegroup": 164
},
{
"id": "mp-1219844",
"created_at": "2022-09-04T14:47:05.755114Z",
"structure_string": "Rb12 Sn2 Bi6 O1\n1.0\n6.399138 -11.083631 0.000000\n6.399138 11.083631 0.000000\n0.000000 0.000000 6.479425\nRb Sn Bi O\n12 2 6 1\ndirect\n0.906754 0.453377 0.249040 Rb\n0.546623 0.453377 0.249040 Rb\n0.546623 0.093246 0.249040 Rb\n0.093246 0.546623 0.750960 Rb\n0.453377 0.546623 0.750960 Rb\n0.453377 0.906754 0.750960 Rb\n0.220116 0.110058 0.277527 Rb\n0.889942 0.110058 0.277527 Rb\n0.889942 0.779884 0.277527 Rb\n0.779884 0.889942 0.722473 Rb\n0.110058 0.889942 0.722473 Rb\n0.110058 0.220116 0.722473 Rb\n0.666667 0.333333 0.749913 Sn\n0.333333 0.666667 0.250087 Sn\n0.589663 0.794832 0.241277 Bi\n0.205168 0.794832 0.241277 Bi\n0.205168 0.410337 0.241277 Bi\n0.410337 0.205168 0.758723 Bi\n0.794832 0.205168 0.758723 Bi\n0.794832 0.589663 0.758723 Bi\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Rb12 Sn2 Bi6 O1",
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"spacegroup": 164
},
{
"id": "mp-680061",
"created_at": "2022-09-04T14:46:39.311354Z",
"structure_string": "Rb12 Sn6 Ge18 O54\n1.0\n6.150769 -10.653444 0.000000\n6.150769 10.653444 0.000000\n0.000000 0.000000 10.862912\nRb Sn Ge O\n12 6 18 54\ndirect\n0.650067 0.648115 0.017699 Rb\n0.349933 0.998048 0.482301 Rb\n0.351885 0.001952 0.017699 Rb\n0.648115 0.998048 0.982301 Rb\n0.349933 0.351885 0.982301 Rb\n0.650067 0.001952 0.517699 Rb\n0.998048 0.648115 0.517699 Rb\n0.998048 0.349933 0.017699 Rb\n0.351885 0.349933 0.517699 Rb\n0.001952 0.351885 0.482301 Rb\n0.648115 0.650067 0.482301 Rb\n0.001952 0.650067 0.982301 Rb\n0.333333 0.666667 0.994586 Sn\n0.666667 0.333333 0.005414 Sn\n0.000000 0.000000 0.500000 Sn\n0.666667 0.333333 0.505414 Sn\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.494586 Sn\n0.549012 0.715566 0.739756 Ge\n0.000000 0.178302 0.250000 Ge\n0.178302 0.000000 0.250000 Ge\n0.549012 0.833446 0.239756 Ge\n0.284434 0.833446 0.739756 Ge\n0.166554 0.715566 0.239756 Ge\n0.284434 0.450988 0.239756 Ge\n0.715566 0.549012 0.760244 Ge\n0.166554 0.450988 0.739756 Ge\n0.450988 0.166554 0.760244 Ge\n0.000000 0.821698 0.750000 Ge\n0.833446 0.284434 0.760244 Ge\n0.715566 0.166554 0.260244 Ge\n0.833446 0.549012 0.260244 Ge\n0.450988 0.284434 0.260244 Ge\n0.821698 0.000000 0.750000 Ge\n0.821698 0.821698 0.250000 Ge\n0.178302 0.178302 0.750000 Ge\n0.156119 0.064596 0.115119 O\n0.811522 0.452145 0.387868 O\n0.620553 0.620553 0.750000 O\n0.506375 0.229561 0.613801 O\n0.620553 0.000000 0.250000 O\n0.640623 0.452145 0.887868 O\n0.091523 0.935404 0.384881 O\n0.276814 0.770439 0.886199 O\n0.229561 0.723186 0.386199 O\n0.547855 0.188478 0.887868 O\n0.669446 0.797287 0.200710 O\n0.359377 0.547855 0.112132 O\n0.127841 0.797287 0.700710 O\n0.202713 0.872159 0.200710 O\n0.330554 0.202713 0.799290 O\n0.493625 0.770439 0.386199 O\n0.064596 0.156119 0.384881 O\n0.770439 0.493625 0.113801 O\n0.379447 0.379447 0.250000 O\n0.872159 0.202713 0.299290 O\n0.935404 0.843881 0.615119 O\n0.330554 0.127841 0.299290 O\n0.156119 0.091523 0.615119 O\n0.276814 0.506375 0.386199 O\n0.908477 0.064596 0.615119 O\n0.640623 0.188478 0.387868 O\n0.091523 0.156119 0.884881 O\n0.127841 0.330554 0.200710 O\n0.843881 0.935404 0.884881 O\n0.935404 0.091523 0.115119 O\n0.452145 0.811522 0.112132 O\n0.811522 0.359377 0.887868 O\n0.843881 0.908477 0.384881 O\n0.359377 0.811522 0.612132 O\n0.452145 0.640623 0.612132 O\n0.379447 0.000000 0.750000 O\n0.723186 0.493625 0.613801 O\n0.872159 0.669446 0.799290 O\n0.547855 0.359377 0.387868 O\n0.669446 0.872159 0.700710 O\n0.000000 0.379447 0.750000 O\n0.064596 0.908477 0.884881 O\n0.202713 0.330554 0.700710 O\n0.188478 0.640623 0.112132 O\n0.797287 0.127841 0.799290 O\n0.188478 0.547855 0.612132 O\n0.229561 0.506375 0.886199 O\n0.770439 0.276814 0.613801 O\n0.506375 0.276814 0.113801 O\n0.797287 0.669446 0.299290 O\n0.493625 0.723186 0.886199 O\n0.723186 0.229561 0.113801 O\n0.000000 0.620553 0.250000 O\n0.908477 0.843881 0.115119 O\n",
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"elements": [
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],
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"volume": 1423.6253122069554,
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"formula_full": "Rb12 Sn6 Ge18 O54",
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},
{
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},
{
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{
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{
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{
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{
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}
]
}