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"structure_string": "Li4 Mn6 Fe2 O16\n1.0\n5.968636 -0.052658 -0.000090\n2.939989 4.990493 -0.000090\n-0.000157 -0.000121 9.503403\nLi Mn Fe O\n4 6 2 16\ndirect\n0.666083 0.663903 0.889911 Li\n0.333901 0.336118 0.389897 Li\n0.004713 0.994071 0.998106 Li\n0.995249 0.005958 0.498111 Li\n0.828331 0.338949 0.213457 Mn\n0.171659 0.661071 0.713457 Mn\n0.339469 0.831830 0.217723 Mn\n0.830617 0.828372 0.213148 Mn\n0.169356 0.171653 0.713152 Mn\n0.660518 0.168172 0.717722 Mn\n0.674266 0.666346 0.493070 Fe\n0.325709 0.333653 0.993072 Fe\n0.690637 0.654185 0.101826 O\n0.309387 0.345807 0.601835 O\n0.974177 0.010554 0.312324 O\n0.025767 0.989494 0.812312 O\n0.321105 0.838924 0.599699 O\n0.846718 0.327779 0.604011 O\n0.156300 0.161536 0.105997 O\n0.843671 0.838490 0.605994 O\n0.153282 0.672264 0.104022 O\n0.678871 0.161093 0.099697 O\n0.525374 0.516335 0.334728 O\n0.534283 0.961997 0.336600 O\n0.962387 0.515410 0.333318 O\n0.037595 0.484636 0.833311 O\n0.465658 0.038026 0.836623 O\n0.474615 0.483677 0.834719 O\n",
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"formula_full": "Li4 Mn6 Fe2 O16",
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},
{
"id": "mp-1195419",
"created_at": "2022-09-04T14:43:57.143596Z",
"structure_string": "Na4 Mg8 H4 Se8 O28\n1.0\n0.000000 6.177779 0.000000\n0.000000 0.000000 8.377692\n13.533251 0.000000 0.000000\nNa Mg H Se O\n4 8 4 8 28\ndirect\n0.750000 0.869411 0.750905 Na\n0.750000 0.630589 0.250905 Na\n0.250000 0.130589 0.249095 Na\n0.250000 0.369411 0.749095 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.750000 0.213696 0.887748 Mg\n0.750000 0.286304 0.387748 Mg\n0.250000 0.786304 0.112252 Mg\n0.250000 0.713696 0.612252 Mg\n0.750000 0.528086 0.844583 H\n0.750000 0.971914 0.344583 H\n0.250000 0.471914 0.155417 H\n0.250000 0.028086 0.655417 H\n0.250000 0.119928 0.972860 Se\n0.250000 0.380072 0.472860 Se\n0.750000 0.880072 0.027140 Se\n0.750000 0.619928 0.527140 Se\n0.750000 0.225989 0.672698 Se\n0.750000 0.274011 0.172698 Se\n0.250000 0.774011 0.327302 Se\n0.250000 0.725989 0.827302 Se\n0.250000 0.030780 0.087175 O\n0.250000 0.469220 0.587175 O\n0.750000 0.969220 0.912825 O\n0.750000 0.530780 0.412825 O\n0.030978 0.249395 0.981223 O\n0.469022 0.250605 0.481223 O\n0.530978 0.750605 0.018777 O\n0.969022 0.749395 0.518777 O\n0.969022 0.750605 0.018777 O\n0.530978 0.749395 0.518777 O\n0.469022 0.249395 0.981223 O\n0.030978 0.250605 0.481223 O\n0.956162 0.198479 0.757270 O\n0.543838 0.301521 0.257270 O\n0.456162 0.801521 0.242730 O\n0.043838 0.698479 0.742730 O\n0.043838 0.801521 0.242730 O\n0.456162 0.698479 0.742730 O\n0.543838 0.198479 0.757270 O\n0.956162 0.301521 0.257270 O\n0.750000 0.042684 0.609747 O\n0.750000 0.457316 0.109747 O\n0.250000 0.957316 0.390253 O\n0.250000 0.542684 0.890253 O\n0.750000 0.462687 0.904089 O\n0.750000 0.037313 0.404089 O\n0.250000 0.537313 0.095911 O\n0.250000 0.962687 0.595911 O\n",
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],
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"density": 3.2481836735219547,
"density_atomic": 0.07424110872684173,
"volume": 700.4205741501744,
"volume_molar": 8.11159863217763,
"formula_full": "Na4 Mg8 H4 Se8 O28",
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"updated_at": "2021-11-28T01:36:24.028000Z",
"spacegroup": 62
},
{
"id": "mp-1096770",
"created_at": "2022-09-04T14:43:57.158758Z",
"structure_string": "Ni3 Cl4\n1.0\n3.523328 -4.882471 0.000000\n3.523328 4.882471 0.000000\n0.000000 0.000000 3.531065\nNi Cl\n3 4\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.734321 0.734321 0.500000 Cl\n0.265679 0.265679 0.500000 Cl\n0.750829 0.249171 0.000000 Cl\n0.249171 0.750829 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Ni",
"density": 4.345107383931615,
"density_atomic": 0.057619513170426885,
"volume": 121.4866217160741,
"volume_molar": 10.451564806158157,
"formula_full": "Ni3 Cl4",
"formula_reduced": "Ni3Cl4",
"formula_anonymous": "A3B4",
"energy": -29.09938598,
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"updated_at": "2021-11-28T01:36:36.783000Z",
"spacegroup": 65
},
{
"id": "mp-766038",
"created_at": "2022-09-04T14:43:54.851477Z",
"structure_string": "Li16 V8 Si8 O40\n1.0\n5.068464 0.000000 0.000000\n0.000000 12.694509 0.000000\n0.000000 6.220954 11.537770\nLi V Si O\n16 8 8 40\ndirect\n0.724278 0.847577 0.328481 Li\n0.772048 0.345639 0.086040 Li\n0.206756 0.176439 0.173858 Li\n0.721330 0.570611 0.584127 Li\n0.221330 0.929389 0.415873 Li\n0.706756 0.323561 0.826142 Li\n0.775722 0.347577 0.328481 Li\n0.727952 0.845639 0.086040 Li\n0.272048 0.154361 0.913960 Li\n0.224278 0.652423 0.671519 Li\n0.293244 0.676439 0.173858 Li\n0.778670 0.070611 0.584127 Li\n0.278670 0.429389 0.415873 Li\n0.793244 0.823561 0.826142 Li\n0.227952 0.654361 0.913960 Li\n0.275722 0.152423 0.671519 Li\n0.736131 0.129441 0.062139 V\n0.267510 0.691836 0.437399 V\n0.763869 0.629441 0.062139 V\n0.767510 0.808164 0.562601 V\n0.232490 0.191836 0.437399 V\n0.236131 0.370559 0.937861 V\n0.732490 0.308164 0.562601 V\n0.263869 0.870559 0.937861 V\n0.223861 0.933839 0.161579 Si\n0.218999 0.408491 0.661412 Si\n0.276139 0.433839 0.161579 Si\n0.718999 0.091509 0.338588 Si\n0.281001 0.908491 0.661412 Si\n0.723861 0.566161 0.838421 Si\n0.781001 0.591509 0.338588 Si\n0.776139 0.066161 0.838421 Si\n0.903837 0.962108 0.135870 O\n0.025204 0.215271 0.001250 O\n0.394219 0.058126 0.119667 O\n0.611596 0.663682 0.392422 O\n0.279249 0.856730 0.300772 O\n0.163456 0.361474 0.094745 O\n0.796608 0.154537 0.200911 O\n0.898336 0.397665 0.642423 O\n0.975681 0.725793 0.488439 O\n0.596163 0.462108 0.135870 O\n0.474796 0.715271 0.001250 O\n0.317784 0.548123 0.597822 O\n0.817784 0.951877 0.402178 O\n0.105781 0.558126 0.119667 O\n0.475681 0.774207 0.511561 O\n0.398336 0.102335 0.357577 O\n0.888404 0.163682 0.392422 O\n0.220751 0.356730 0.300772 O\n0.296608 0.345463 0.799089 O\n0.663456 0.138526 0.905255 O\n0.336544 0.861474 0.094745 O\n0.703392 0.654537 0.200911 O\n0.779249 0.643270 0.699228 O\n0.111596 0.836318 0.607578 O\n0.601664 0.897665 0.642423 O\n0.524319 0.225793 0.488439 O\n0.894219 0.441874 0.880333 O\n0.182216 0.048123 0.597822 O\n0.682216 0.451877 0.402178 O\n0.525204 0.284729 0.998750 O\n0.403837 0.537892 0.864130 O\n0.024319 0.274207 0.511561 O\n0.101664 0.602335 0.357577 O\n0.203392 0.845463 0.799089 O\n0.836544 0.638526 0.905255 O\n0.720751 0.143270 0.699228 O\n0.388404 0.336318 0.607578 O\n0.605781 0.941874 0.880333 O\n0.974796 0.784729 0.998750 O\n0.096163 0.037892 0.864130 O\n",
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],
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"formula_full": "Li16 V8 Si8 O40",
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"formula_anonymous": "ABC2D5",
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}
]
}