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"structure_string": "Mn6 O10 F2\n1.0\n5.337167 -0.007901 0.036343\n1.474180 5.162892 0.010604\n2.051783 1.461057 6.419030\nMn O F\n6 10 2\ndirect\n0.348828 0.333324 0.159425 Mn\n0.642902 0.695058 0.332661 Mn\n0.357098 0.304943 0.667338 Mn\n0.651172 0.666677 0.840574 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.694119 0.306949 0.997839 O\n0.305881 0.693052 0.002160 O\n0.642852 0.018221 0.670085 O\n0.566485 0.561176 0.629714 O\n0.233563 0.231968 0.963700 O\n0.433515 0.438825 0.370285 O\n0.766438 0.768033 0.036299 O\n0.109422 0.089671 0.704118 O\n0.357149 0.981779 0.329914 O\n0.890578 0.910330 0.295881 O\n0.035211 0.603580 0.676891 F\n0.964789 0.396420 0.323108 F\n",
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"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
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"P",
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],
"chemical_system": "H-Mg-Na-O-P",
"density": 2.870175864963189,
"density_atomic": 0.09121965757709546,
"volume": 164.43824059877178,
"volume_molar": 6.601801541417003,
"formula_full": "Na3 Mg1 P2 H1 O8",
"formula_reduced": "Na3MgP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.89819967,
"spacegroup": 2
},
{
"id": "jvasp-98162",
"created_at": "2022-09-04T14:35:45.767111Z",
"updated_at": "2022-09-04T14:35:45.767128Z",
"structure_string": "K4 Fe2 H8 S4 O20\n1.0\n6.782686 -0.033474 -2.503118\n-2.280643 9.986121 -3.505594\n0.016268 -0.015202 6.459380\nK Fe H S O\n4 2 8 4 20\ndirect\n0.746433 0.900899 0.189104 K\n0.253569 0.099101 0.810897 K\n0.238118 0.575496 0.812831 K\n0.761883 0.424505 0.187170 K\n0.473038 0.750054 0.498506 Fe\n0.526964 0.249947 0.501495 Fe\n0.073624 0.714062 0.369484 H\n0.827894 0.205161 0.343863 H\n0.172108 0.794840 0.656138 H\n0.926378 0.285938 0.630517 H\n0.820301 0.700834 0.562855 H\n0.151219 0.141622 0.375400 H\n0.848783 0.858379 0.624601 H\n0.179700 0.299166 0.437146 H\n0.273261 0.924948 0.173206 S\n0.726741 0.075053 0.826795 S\n0.728983 0.584136 0.813467 S\n0.271018 0.415865 0.186534 S\n0.165309 0.428756 0.350864 O\n0.875004 0.636081 0.064068 O\n0.124998 0.363919 0.935933 O\n0.229472 0.230171 0.500372 O\n0.400160 0.548921 0.243551 O\n0.770529 0.769830 0.499629 O\n0.834693 0.571245 0.649137 O\n0.599841 0.451080 0.756450 O\n0.409315 0.320404 0.217428 O\n0.433729 0.045925 0.237917 O\n0.622670 0.185171 0.787995 O\n0.377332 0.814829 0.212006 O\n0.846079 0.041783 0.679027 O\n0.153922 0.958217 0.320974 O\n0.858364 0.121344 0.084559 O\n0.141638 0.878657 0.915442 O\n0.566272 0.954075 0.762084 O\n0.189384 0.729367 0.518712 O\n0.590686 0.679597 0.782573 O\n0.810618 0.270634 0.481289 O\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "Fe-H-K-O-S",
"density": 2.7527338743840333,
"density_atomic": 0.086960784741695,
"volume": 436.97857733084805,
"volume_molar": 6.925122373133979,
"formula_full": "K4 Fe2 H8 S4 O20",
"formula_reduced": "K2FeH4(SO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.5608471842105263,
"spacegroup": 2
},
{
"id": "jvasp-48922",
"created_at": "2022-09-04T14:35:45.790611Z",
"updated_at": "2022-09-04T14:35:45.790636Z",
"structure_string": "Li4 Mn4 F14\n1.0\n-5.385291 -0.026045 0.074767\n-0.553200 -6.664258 -0.061646\n1.858149 2.665743 7.816549\nLi Mn F\n4 4 14\ndirect\n0.671477 0.250407 0.911087 Li\n0.136451 0.011525 0.740230 Li\n0.863549 0.988475 0.259770 Li\n0.328523 0.749593 0.088913 Li\n0.726472 0.726425 0.827859 Mn\n0.209350 0.469352 0.661509 Mn\n0.790650 0.530648 0.338491 Mn\n0.273528 0.273575 0.172141 Mn\n0.418839 0.563906 0.214622 F\n0.897588 0.803369 0.381246 F\n0.667057 0.248827 0.302031 F\n0.156143 0.003982 0.173137 F\n0.194028 0.401215 0.412910 F\n0.805972 0.598785 0.587090 F\n0.581160 0.436094 0.785378 F\n0.332943 0.751173 0.697969 F\n0.102412 0.196631 0.618754 F\n0.901020 0.400141 0.112572 F\n0.098980 0.599859 0.887428 F\n0.362266 0.173359 0.945581 F\n0.843856 0.996018 0.826863 F\n0.637734 0.826641 0.054419 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.041483929530558,
"density_atomic": 0.07847365561606147,
"volume": 280.3488613763163,
"volume_molar": 7.67409229597229,
"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 2
}
]
}