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{
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"structure_string": "Si12 N8\n1.0\n6.700344 0.000000 0.000000\n0.000000 6.700344 0.000000\n0.000000 0.000000 6.700344\nSi N\n12 8\ndirect\n0.321722 0.321722 0.000000 Si\n0.678278 0.678278 0.000000 Si\n0.678278 0.321722 0.000000 Si\n0.321722 0.678278 0.000000 Si\n0.000000 0.321722 0.678278 Si\n0.000000 0.678278 0.321722 Si\n0.000000 0.678278 0.678278 Si\n0.000000 0.321722 0.321722 Si\n0.321722 0.000000 0.678278 Si\n0.678278 0.000000 0.321722 Si\n0.321722 0.000000 0.321722 Si\n0.678278 0.000000 0.678278 Si\n0.221417 0.221417 0.778583 N\n0.778583 0.778583 0.778583 N\n0.778583 0.221417 0.221417 N\n0.221417 0.778583 0.221417 N\n0.778583 0.778583 0.221417 N\n0.221417 0.221417 0.221417 N\n0.221417 0.778583 0.778583 N\n0.778583 0.221417 0.778583 N\n",
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{
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},
{
"id": "mp-696019",
"created_at": "2022-09-04T14:45:17.909597Z",
"structure_string": "Na6 P4 H8 O14\n1.0\n6.072243 0.000000 0.000000\n-2.896882 5.541676 0.000000\n-1.101851 -2.686227 11.138615\nNa P H O\n6 4 8 14\ndirect\n0.926099 0.827453 0.120176 Na\n0.073901 0.172547 0.879824 Na\n0.726720 0.696467 0.412867 Na\n0.273280 0.303533 0.587133 Na\n0.328810 0.492804 0.144237 Na\n0.671190 0.507196 0.855763 Na\n0.655760 0.165814 0.071428 P\n0.344240 0.834186 0.928572 P\n0.595554 0.076513 0.249690 P\n0.404446 0.923487 0.750310 P\n0.216068 0.806565 0.512552 H\n0.783932 0.193435 0.487448 H\n0.239932 0.900081 0.388615 H\n0.760068 0.099919 0.611385 H\n0.266920 0.243189 0.329862 H\n0.733080 0.756811 0.670138 H\n0.101048 0.376309 0.357755 H\n0.898952 0.623691 0.642245 H\n0.627979 0.393231 0.059331 O\n0.372021 0.606769 0.940669 O\n0.667796 0.870849 0.248494 O\n0.332204 0.129151 0.751506 O\n0.913390 0.184185 0.057176 O\n0.086610 0.815815 0.942824 O\n0.310826 0.982398 0.251062 O\n0.689174 0.017602 0.748938 O\n0.771188 0.317845 0.345313 O\n0.228812 0.682155 0.654687 O\n0.173848 0.903100 0.464101 O\n0.826152 0.096900 0.535899 O\n0.277778 0.404522 0.363956 O\n0.722222 0.595478 0.636044 O\n",
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"formula_full": "Na6 P4 H8 O14",
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{
"id": "mp-1228376",
"created_at": "2022-09-04T14:45:26.933659Z",
"structure_string": "Ba6 Fe4 W2 O18\n1.0\n2.930052 -5.074999 0.000000\n2.930052 5.074999 0.000000\n0.000000 0.000000 14.384217\nBa Fe W O\n6 4 2 18\ndirect\n0.000000 0.000000 0.746291 Ba\n0.000000 0.000000 0.246291 Ba\n0.333333 0.666667 0.912369 Ba\n0.666667 0.333333 0.100065 Ba\n0.666667 0.333333 0.412369 Ba\n0.333333 0.666667 0.600065 Ba\n0.000000 0.000000 0.006641 Fe\n0.000000 0.000000 0.506641 Fe\n0.333333 0.666667 0.143803 Fe\n0.666667 0.333333 0.643803 Fe\n0.666667 0.333333 0.841536 W\n0.333333 0.666667 0.341536 W\n0.515376 0.484624 0.754815 O\n0.515376 0.030753 0.754815 O\n0.969247 0.484624 0.754815 O\n0.484624 0.515376 0.254815 O\n0.030753 0.515376 0.254815 O\n0.484624 0.969247 0.254815 O\n0.828765 0.171235 0.914679 O\n0.828765 0.657530 0.914679 O\n0.342470 0.171235 0.914679 O\n0.164296 0.835704 0.080270 O\n0.671408 0.835704 0.080270 O\n0.164296 0.328592 0.080270 O\n0.171235 0.828765 0.414679 O\n0.171235 0.342470 0.414679 O\n0.657530 0.828765 0.414679 O\n0.835704 0.164296 0.580270 O\n0.328592 0.164296 0.580270 O\n0.835704 0.671408 0.580270 O\n",
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"elements": [
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],
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"density": 6.610572777330655,
"density_atomic": 0.07012836988341609,
"volume": 427.786929168225,
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"formula_full": "Ba6 Fe4 W2 O18",
"formula_reduced": "Ba3Fe2WO9",
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"spacegroup": 186
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{
"id": "mp-650674",
"created_at": "2022-09-04T14:46:10.673143Z",
"structure_string": "Te16 As16 Se64 F96\n1.0\n13.387369 0.000000 0.000000\n0.000000 16.540704 0.000000\n0.000000 0.000000 19.408205\nTe As Se F\n16 16 64 96\ndirect\n0.217637 0.860654 0.702087 Te\n0.279706 0.255300 0.033635 Te\n0.717637 0.639346 0.702087 Te\n0.779706 0.755300 0.466365 Te\n0.282363 0.639346 0.202087 Te\n0.220294 0.244700 0.533635 Te\n0.779706 0.244700 0.033635 Te\n0.217637 0.139346 0.797913 Te\n0.282363 0.360654 0.297913 Te\n0.279706 0.744700 0.466365 Te\n0.717637 0.360654 0.797913 Te\n0.220294 0.755300 0.966365 Te\n0.720294 0.744700 0.966365 Te\n0.782363 0.139346 0.297913 Te\n0.782363 0.860654 0.202087 Te\n0.720294 0.255300 0.533635 Te\n0.477878 0.403848 0.645880 As\n0.934354 0.414094 0.637893 As\n0.977878 0.903848 0.854120 As\n0.065646 0.414094 0.137893 As\n0.977878 0.096152 0.645880 As\n0.434354 0.914095 0.862107 As\n0.565646 0.085906 0.137893 As\n0.434354 0.085906 0.637893 As\n0.934354 0.585905 0.862107 As\n0.065646 0.585905 0.362107 As\n0.565646 0.914095 0.362107 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{
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"elements": [
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"formula_full": "Li12 V6 P16 O58",
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"updated_at": "2021-11-28T01:37:06.251000Z",
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},
{
"id": "mp-1208701",
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]
}