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{
"id": "mp-1192556",
"created_at": "2022-09-04T14:39:23.070501Z",
"structure_string": "Rb2 In2 Te6 O16\n1.0\n-5.873327 0.000000 0.000000\n2.589249 7.308009 0.000000\n-0.115807 -2.172044 -11.131783\nRb In Te O\n2 2 6 16\ndirect\n0.839078 0.119303 0.166885 Rb\n0.160922 0.880697 0.833115 Rb\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.222163 0.992099 0.418827 Te\n0.777837 0.007901 0.581173 Te\n0.069831 0.677225 0.149552 Te\n0.930169 0.322775 0.850448 Te\n0.516523 0.526029 0.335293 Te\n0.483477 0.473971 0.664707 Te\n0.186130 0.738908 0.416684 O\n0.813870 0.261092 0.583316 O\n0.239976 0.932625 0.230095 O\n0.760024 0.067375 0.769905 O\n0.887621 0.969227 0.396147 O\n0.112379 0.030773 0.603853 O\n0.270398 0.679033 0.017102 O\n0.729602 0.320967 0.982898 O\n0.822661 0.735868 0.077003 O\n0.177339 0.264132 0.922997 O\n0.390104 0.426262 0.174174 O\n0.609896 0.573738 0.825826 O\n0.248722 0.370012 0.407342 O\n0.751278 0.629988 0.592658 O\n0.730177 0.390559 0.345209 O\n0.269823 0.609441 0.654791 O\n",
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"formula_full": "Rb2 In2 Te6 O16",
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{
"id": "mp-504667",
"created_at": "2022-09-04T14:47:27.866812Z",
"structure_string": "Rb1 In1 W2 O8\n1.0\n2.989389 -5.177773 0.000000\n2.989389 5.177773 0.000000\n0.000000 0.000000 7.906593\nRb In W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.235650 W\n0.666667 0.333333 0.764350 W\n0.834603 0.165397 0.834589 O\n0.834603 0.669206 0.834589 O\n0.330794 0.165397 0.834589 O\n0.669206 0.834603 0.165411 O\n0.333333 0.666667 0.460250 O\n0.666667 0.333333 0.539750 O\n0.165397 0.330794 0.165411 O\n0.165397 0.834603 0.165411 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "In-O-Rb-W",
"density": 4.721599900630348,
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"volume": 244.7624647687147,
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"formula_full": "Rb1 In1 W2 O8",
"formula_reduced": "RbIn(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -94.98754969,
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"updated_at": "2021-11-28T01:38:09.004000Z",
"spacegroup": 164
},
{
"id": "mp-1110589",
"created_at": "2022-09-04T14:48:23.109202Z",
"structure_string": "Rb2 Ir1 Au1 F6\n1.0\n0.000000 4.491552 4.491552\n4.491552 0.000000 4.491552\n4.491552 4.491552 0.000000\nRb Ir Au F\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 Ir\n0.500000 0.500000 0.500000 Au\n0.771565 0.228435 0.228435 F\n0.228435 0.228435 0.771565 F\n0.228435 0.771565 0.771565 F\n0.228435 0.771565 0.228435 F\n0.771565 0.228435 0.771565 F\n0.771565 0.771565 0.228435 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-F-Ir-Rb",
"density": 6.176754071505527,
"density_atomic": 0.05517987449294074,
"volume": 181.22549374916244,
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"formula_full": "Rb2 Ir1 Au1 F6",
"formula_reduced": "Rb2IrAuF6",
"formula_anonymous": "ABC2D6",
"energy": -45.34548526,
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"updated_at": "2021-11-28T01:39:09.398000Z",
"spacegroup": 225
},
{
"id": "mp-723896",
"created_at": "2022-09-04T14:43:57.529361Z",
"structure_string": "Rb12 Ir4 Br24 O4\n1.0\n7.427419 0.000000 0.000000\n0.000000 12.976864 0.000000\n0.000000 0.000000 15.382708\nRb Ir Br O\n12 4 24 4\ndirect\n0.250000 0.110638 0.464636 Rb\n0.250000 0.610638 0.035364 Rb\n0.750000 0.889362 0.535364 Rb\n0.750000 0.389362 0.964636 Rb\n0.750000 0.058367 0.854384 Rb\n0.750000 0.558367 0.645616 Rb\n0.250000 0.941633 0.145616 Rb\n0.250000 0.441633 0.354384 Rb\n0.250000 0.328035 0.726295 Rb\n0.250000 0.828035 0.773705 Rb\n0.750000 0.671965 0.273705 Rb\n0.750000 0.171965 0.226295 Rb\n0.250000 0.273977 0.096803 Ir\n0.250000 0.773977 0.403197 Ir\n0.750000 0.726023 0.903197 Ir\n0.750000 0.226023 0.596803 Ir\n0.250000 0.362175 0.951882 Br\n0.250000 0.862175 0.548118 Br\n0.750000 0.637825 0.048118 Br\n0.750000 0.137825 0.451882 Br\n0.250000 0.185978 0.244522 Br\n0.250000 0.685978 0.255478 Br\n0.750000 0.814022 0.755478 Br\n0.750000 0.314022 0.744522 Br\n0.015071 0.396591 0.152868 Br\n0.484929 0.896591 0.347132 Br\n0.515071 0.603409 0.847132 Br\n0.984929 0.103409 0.652868 Br\n0.984929 0.603409 0.847132 Br\n0.515071 0.103409 0.652868 Br\n0.484929 0.396591 0.152868 Br\n0.015071 0.896591 0.347132 Br\n0.014578 0.153024 0.041423 Br\n0.485422 0.653024 0.458577 Br\n0.514578 0.846976 0.958577 Br\n0.985422 0.346976 0.541423 Br\n0.985422 0.846976 0.958577 Br\n0.514578 0.346976 0.541423 Br\n0.485422 0.153024 0.041423 Br\n0.014578 0.653024 0.458577 Br\n0.250000 0.061615 0.844594 O\n0.250000 0.561615 0.655406 O\n0.750000 0.938385 0.155406 O\n0.750000 0.438385 0.344594 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Ir",
"Br",
"O"
],
"chemical_system": "Br-Ir-O-Rb",
"density": 4.229224695594108,
"density_atomic": 0.02967646742076072,
"volume": 1482.656253392848,
"volume_molar": 20.292646946877174,
"formula_full": "Rb12 Ir4 Br24 O4",
"formula_reduced": "Rb3IrBr6O",
"formula_anonymous": "ABC3D6",
"energy": -157.87644383,
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"updated_at": "2021-11-28T01:36:18.630000Z",
"spacegroup": 62
},
{
"id": "mp-1209539",
"created_at": "2022-09-04T14:40:09.946498Z",
"structure_string": "Rb12 Ir4 Cl24 O4\n1.0\n7.078315 0.000000 0.000000\n0.000000 12.455260 0.000000\n0.000000 0.000000 14.504047\nRb Ir Cl O\n12 4 24 4\ndirect\n0.250000 0.888844 0.537230 Rb\n0.750000 0.111156 0.462770 Rb\n0.750000 0.611156 0.037230 Rb\n0.250000 0.388844 0.962770 Rb\n0.250000 0.557774 0.641893 Rb\n0.750000 0.442226 0.358107 Rb\n0.750000 0.942226 0.141893 Rb\n0.250000 0.057774 0.858107 Rb\n0.250000 0.671753 0.273782 Rb\n0.750000 0.328247 0.726218 Rb\n0.750000 0.828247 0.773782 Rb\n0.250000 0.171753 0.226218 Rb\n0.250000 0.724033 0.903943 Ir\n0.750000 0.275967 0.096057 Ir\n0.750000 0.775967 0.403943 Ir\n0.250000 0.224033 0.596057 Ir\n0.016467 0.605276 0.847540 Cl\n0.983533 0.394724 0.152460 Cl\n0.983533 0.894724 0.347540 Cl\n0.516467 0.394724 0.152460 Cl\n0.016467 0.105276 0.652460 Cl\n0.483533 0.605276 0.847540 Cl\n0.483533 0.105276 0.652460 Cl\n0.516467 0.894724 0.347540 Cl\n0.250000 0.633893 0.047254 Cl\n0.750000 0.366107 0.952746 Cl\n0.750000 0.866107 0.547254 Cl\n0.250000 0.133893 0.452746 Cl\n0.016761 0.842405 0.961575 Cl\n0.983239 0.157595 0.038425 Cl\n0.983239 0.657595 0.461575 Cl\n0.516761 0.157595 0.038425 Cl\n0.016761 0.342405 0.538425 Cl\n0.483239 0.842405 0.961575 Cl\n0.483239 0.342405 0.538425 Cl\n0.516761 0.657595 0.461575 Cl\n0.250000 0.814431 0.759029 Cl\n0.750000 0.185569 0.240971 Cl\n0.750000 0.685569 0.259029 Cl\n0.250000 0.314431 0.740971 Cl\n0.250000 0.934542 0.164582 O\n0.750000 0.065458 0.835418 O\n0.750000 0.565458 0.664582 O\n0.250000 0.434542 0.335418 O\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Cl-Ir-O-Rb",
"density": 3.5183781886489336,
"density_atomic": 0.03440969273663433,
"volume": 1278.709471100721,
"volume_molar": 17.501291877531123,
"formula_full": "Rb12 Ir4 Cl24 O4",
"formula_reduced": "Rb3IrCl6O",
"formula_anonymous": "ABC3D6",
"energy": -175.16791461,
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"updated_at": "2021-11-28T01:34:57.057000Z",
"spacegroup": 62
},
{
"id": "mp-21327",
"created_at": "2022-09-04T14:42:29.390896Z",
"structure_string": "Rb3 Ir1 N6 O12\n1.0\n0.000000 5.646915 5.646915\n5.646915 0.000000 5.646915\n5.646915 5.646915 0.000000\nRb Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.176829 0.176829 0.823171 N\n0.823171 0.176829 0.823171 N\n0.823171 0.823171 0.176829 N\n0.823171 0.176829 0.176829 N\n0.176829 0.823171 0.176829 N\n0.176829 0.823171 0.823171 N\n0.580716 0.419284 0.000000 O\n0.580716 0.000000 0.419284 O\n0.580716 0.000000 0.000000 O\n0.000000 0.000000 0.580716 O\n0.419284 0.000000 0.000000 O\n0.419284 0.000000 0.580716 O\n0.000000 0.419284 0.000000 O\n0.000000 0.000000 0.419284 O\n0.419284 0.580716 0.000000 O\n0.000000 0.580716 0.419284 O\n0.000000 0.419284 0.580716 O\n0.000000 0.580716 0.000000 O\n",
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"formula_full": "Rb3 Ir1 N6 O12",
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"spacegroup": 225
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{
"id": "mp-1111727",
"created_at": "2022-09-04T14:46:14.229983Z",
"structure_string": "Rb2 La1 Ag1 Cl6\n1.0\n0.000000 5.514615 5.514615\n5.514615 0.000000 5.514615\n5.514615 5.514615 0.000000\nRb La Ag Cl\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 La\n0.500000 0.500000 0.500000 Ag\n0.749185 0.250815 0.250815 Cl\n0.250815 0.250815 0.749185 Cl\n0.250815 0.749185 0.749185 Cl\n0.250815 0.749185 0.250815 Cl\n0.749185 0.250815 0.749185 Cl\n0.749185 0.749185 0.250815 Cl\n",
"nsites": 10,
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"volume": 335.4096774849011,
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"formula_full": "Rb2 La1 Ag1 Cl6",
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"updated_at": "2021-11-28T01:37:26.602000Z",
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},
{
"id": "mp-1113498",
"created_at": "2022-09-04T14:45:17.191759Z",
"structure_string": "Rb2 La1 Au1 Cl6\n1.0\n0.000000 5.519258 5.519258\n5.519258 0.000000 5.519258\n5.519258 5.519258 0.000000\nRb La Au Cl\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 La\n0.500000 0.500000 0.500000 Au\n0.749373 0.250627 0.250627 Cl\n0.250627 0.250627 0.749373 Cl\n0.250627 0.749373 0.749373 Cl\n0.250627 0.749373 0.250627 Cl\n0.749373 0.250627 0.749373 Cl\n0.749373 0.749373 0.250627 Cl\n",
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"volume": 336.25758001306264,
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"formula_full": "Rb2 La1 Au1 Cl6",
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{
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},
{
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{
"id": "mp-1198575",
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{
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}
]
}