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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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{
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{
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"updated_at": "2021-11-28T01:36:16.263000Z",
"spacegroup": 139
},
{
"id": "mp-18518",
"created_at": "2022-09-04T14:47:10.575686Z",
"structure_string": "Rb4 Na2 Mn6 F24\n1.0\n7.289285 0.000000 0.000000\n0.065091 7.659240 0.000000\n0.605173 0.017182 10.345305\nRb Na Mn F\n4 2 6 24\ndirect\n0.517890 0.748818 0.606466 Rb\n0.482110 0.251182 0.393534 Rb\n0.026803 0.262586 0.138689 Rb\n0.973197 0.737414 0.861311 Rb\n0.707792 0.238347 0.746062 Na\n0.292208 0.761653 0.253938 Na\n0.811373 0.748069 0.216356 Mn\n0.188627 0.251931 0.783644 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.039846 0.729284 0.127154 F\n0.960154 0.270716 0.872846 F\n0.590572 0.767982 0.314588 F\n0.409428 0.232018 0.685412 F\n0.767440 0.433616 0.566744 F\n0.232560 0.566384 0.433256 F\n0.752963 0.049253 0.546040 F\n0.247037 0.950747 0.453960 F\n0.631656 0.952751 0.842729 F\n0.368344 0.047249 0.157271 F\n0.620844 0.533457 0.837859 F\n0.379156 0.466543 0.162141 F\n0.585525 0.233244 0.987388 F\n0.414475 0.766756 0.012612 F\n0.277922 0.444786 0.918691 F\n0.722078 0.555214 0.081309 F\n0.255303 0.067562 0.897772 F\n0.744697 0.932438 0.102228 F\n0.058641 0.053537 0.672230 F\n0.941359 0.946463 0.327770 F\n0.949076 0.732699 0.563919 F\n0.050924 0.267301 0.436081 F\n0.119129 0.445815 0.679102 F\n0.880871 0.554185 0.320898 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Mn-Na-Rb",
"density": 3.373621310041524,
"density_atomic": 0.06232877518036401,
"volume": 577.5823429198622,
"volume_molar": 9.661894915427776,
"formula_full": "Rb4 Na2 Mn6 F24",
"formula_reduced": "Rb2NaMn3F12",
"formula_anonymous": "AB2C3D12",
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"updated_at": "2021-11-28T01:37:55.888000Z",
"spacegroup": 2
},
{
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"created_at": "2022-09-04T14:42:46.644817Z",
"structure_string": "Rb4 Na2 Mn2 O8\n1.0\n6.086348 0.000000 0.000000\n0.000000 6.071242 0.000000\n0.000000 0.393865 7.961945\nRb Na Mn O\n4 2 2 8\ndirect\n0.750000 0.117572 0.827394 Rb\n0.250000 0.882428 0.172606 Rb\n0.250000 0.304996 0.483930 Rb\n0.750000 0.695004 0.516070 Rb\n0.750000 0.616231 0.034219 Na\n0.250000 0.383769 0.965781 Na\n0.250000 0.805116 0.744578 Mn\n0.750000 0.194884 0.255422 Mn\n0.522705 0.330616 0.170828 O\n0.022705 0.669384 0.829171 O\n0.477295 0.669384 0.829171 O\n0.977295 0.330616 0.170828 O\n0.750000 0.204013 0.469773 O\n0.750000 0.927010 0.192300 O\n0.250000 0.795987 0.530227 O\n0.250000 0.072990 0.807700 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O-Rb",
"density": 3.5316450182445154,
"density_atomic": 0.05438341615177872,
"volume": 294.2073362097296,
"volume_molar": 11.07348744549773,
"formula_full": "Rb4 Na2 Mn2 O8",
"formula_reduced": "Rb2NaMnO4",
"formula_anonymous": "ABC2D4",
"energy": -93.56240594,
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"energy_above_hull": null,
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"energy_uncorrected": -84.73040594,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.698000Z",
"spacegroup": 11
},
{
"id": "mp-1110703",
"created_at": "2022-09-04T14:44:19.579339Z",
"structure_string": "Rb2 Na1 Mo1 Br6\n1.0\n0.000000 5.534656 5.534656\n5.534656 0.000000 5.534656\n5.534656 5.534656 0.000000\nRb Na Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.763844 0.236156 0.236156 Br\n0.236156 0.236156 0.763844 Br\n0.236156 0.763844 0.763844 Br\n0.236156 0.763844 0.236156 Br\n0.763844 0.236156 0.763844 Br\n0.763844 0.763844 0.236156 Br\n",
"nsites": 10,
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"elements": [
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"Mo",
"Br"
],
"chemical_system": "Br-Mo-Na-Rb",
"density": 3.767358364793421,
"density_atomic": 0.029491584415398446,
"volume": 339.07978151145716,
"volume_molar": 20.419861731320406,
"formula_full": "Rb2 Na1 Mo1 Br6",
"formula_reduced": "Rb2NaMoBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.48953993,
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"updated_at": "2021-11-28T01:36:39.556000Z",
"spacegroup": 225
}
]
}