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{
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{
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{
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"structure_string": "In2 H6 F6\n1.0\n4.620451 0.000000 0.000000\n0.000000 7.488681 0.000000\n0.000000 5.390329 8.333400\nIn H F\n2 6 6\ndirect\n0.567497 0.500000 0.250000 In\n0.432503 0.500000 0.750000 In\n0.919955 0.000000 0.250000 H\n0.080045 0.000000 0.750000 H\n0.495774 0.856058 0.893644 H\n0.504226 0.143942 0.106356 H\n0.495774 0.143942 0.606356 H\n0.504226 0.856058 0.393644 H\n0.395993 0.783725 0.356846 F\n0.604007 0.216275 0.643154 F\n0.395993 0.216275 0.143154 F\n0.604007 0.783725 0.856846 F\n0.076782 0.500000 0.250000 F\n0.923218 0.500000 0.750000 F\n",
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{
"id": "mp-761087",
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"structure_string": "Na4 Ti4 O8\n1.0\n0.000000 4.408670 4.408670\n4.408670 0.000000 4.408670\n4.408670 4.408670 0.000000\nNa Ti O\n4 4 8\ndirect\n0.625000 0.625000 0.125000 Na\n0.625000 0.625000 0.625000 Na\n0.625000 0.125000 0.625000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.125000 0.625000 0.125000 Ti\n0.125000 0.125000 0.625000 Ti\n0.916299 0.361234 0.361234 O\n0.888766 0.888766 0.333701 O\n0.361234 0.916299 0.361234 O\n0.361234 0.361234 0.361234 O\n0.888766 0.888766 0.888766 O\n0.888766 0.333701 0.888766 O\n0.361234 0.361234 0.916299 O\n0.333701 0.888766 0.888766 O\n",
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"elements": [
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"chemical_system": "Na-O-Ti",
"density": 3.9864298793843242,
"density_atomic": 0.09336136891709,
"volume": 171.3770929623887,
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"formula_full": "Na4 Ti4 O8",
"formula_reduced": "NaTiO2",
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{
"id": "mp-1184990",
"created_at": "2022-09-04T14:43:23.394117Z",
"structure_string": "K1 Mg3\n1.0\n0.000000 3.907692 3.907692\n3.907692 0.000000 3.907692\n3.907692 3.907692 0.000000\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"density": 1.558575038717814,
"density_atomic": 0.033517299361503376,
"volume": 119.34135733484064,
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"formula_full": "K1 Mg3",
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"updated_at": "2021-11-28T01:36:16.794000Z",
"spacegroup": 225
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{
"id": "mp-1290713",
"created_at": "2022-09-04T14:43:23.396187Z",
"structure_string": "Ca2 Mn2 W2 O12\n1.0\n5.323358 0.000007 -0.010591\n0.000007 5.390403 0.000215\n0.009593 0.000300 7.576428\nCa Mn W O\n2 2 2 12\ndirect\n0.509723 0.542507 0.248800 Ca\n0.009737 0.957423 0.748827 Ca\n0.002765 0.499028 0.500051 Mn\n0.503351 0.000906 0.000022 Mn\n0.502083 0.008924 0.499396 W\n0.002399 0.490932 0.999345 W\n0.711877 0.293356 0.462127 O\n0.212045 0.206724 0.962117 O\n0.781678 0.781038 0.031715 O\n0.281460 0.719008 0.531746 O\n0.208307 0.213326 0.536422 O\n0.708424 0.286720 0.036379 O\n0.285523 0.717098 0.969232 O\n0.785374 0.782887 0.469248 O\n0.072753 0.488744 0.251130 O\n0.572929 0.011322 0.751031 O\n0.439014 0.989325 0.247863 O\n0.938820 0.510731 0.747940 O\n",
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"density": 5.726205610412711,
"density_atomic": 0.08279421679288128,
"volume": 217.40648921202978,
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"formula_full": "Ca2 Mn2 W2 O12",
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]
}