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{
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"structure_string": "Na16 Si16 H72 O76\n1.0\n9.649586 0.000000 -2.492869\n0.000000 12.518145 0.000000\n0.036140 0.000000 14.982949\nNa Si H O\n16 16 72 76\ndirect\n0.042389 0.876014 0.565848 Na\n0.957611 0.376014 0.934152 Na\n0.957611 0.123986 0.434152 Na\n0.042389 0.623986 0.065848 Na\n0.764153 0.640695 0.557178 Na\n0.235847 0.140695 0.942822 Na\n0.235847 0.359305 0.442822 Na\n0.764153 0.859305 0.057178 Na\n0.308002 0.605634 0.572016 Na\n0.691998 0.105634 0.927984 Na\n0.691998 0.394366 0.427984 Na\n0.308002 0.894366 0.072016 Na\n0.480401 0.877402 0.551694 Na\n0.519599 0.377402 0.948306 Na\n0.519599 0.122598 0.448306 Na\n0.480401 0.622598 0.051694 Na\n0.593581 0.678257 0.732411 Si\n0.406419 0.178257 0.767589 Si\n0.406419 0.321743 0.267589 Si\n0.593581 0.821743 0.232411 Si\n0.855134 0.819433 0.737334 Si\n0.144866 0.319433 0.762666 Si\n0.144866 0.180567 0.262666 Si\n0.855134 0.680567 0.237334 Si\n0.340891 0.828925 0.734864 Si\n0.659109 0.328925 0.765136 Si\n0.659109 0.171075 0.265136 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O\n0.183965 0.722190 0.222638 O\n0.822070 0.459356 0.589754 O\n0.177930 0.959356 0.910246 O\n0.177930 0.540644 0.410246 O\n0.822070 0.040644 0.089754 O\n0.324806 0.913208 0.648029 O\n0.675194 0.413208 0.851971 O\n0.675194 0.086792 0.351971 O\n0.324806 0.586792 0.148029 O\n0.116944 0.587604 0.654771 O\n0.883056 0.087604 0.845229 O\n0.883056 0.412396 0.345229 O\n0.116944 0.912396 0.154771 O\n0.583723 0.039138 0.602572 O\n0.416277 0.539138 0.897428 O\n0.416277 0.960862 0.397428 O\n0.583723 0.460862 0.102572 O\n0.329866 0.422884 0.594691 O\n0.670134 0.922884 0.905309 O\n0.670134 0.577116 0.405309 O\n0.329866 0.077116 0.094691 O\n",
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"nelements": 4,
"elements": [
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"H",
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],
"chemical_system": "H-Na-O-Si",
"density": 1.9307914303278018,
"density_atomic": 0.09939304723281733,
"volume": 1810.9918652395243,
"volume_molar": 6.0589155153818695,
"formula_full": "Na16 Si16 H72 O76",
"formula_reduced": "Na4Si4H18O19",
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"energy": -1073.61924193,
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"updated_at": "2021-11-28T01:37:39.785000Z",
"spacegroup": 14
},
{
"id": "mp-600083",
"created_at": "2022-09-04T14:44:40.720439Z",
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"elements": [
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"density": 1.6444918937616182,
"density_atomic": 0.04944733482623824,
"volume": 3640.2366403069836,
"volume_molar": 12.178898582021192,
"formula_full": "Si60 O120",
"formula_reduced": "SiO2",
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"energy": -1504.73031437,
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"updated_at": "2021-11-28T01:37:04.046000Z",
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},
{
"id": "mp-1202012",
"created_at": "2022-09-04T14:41:49.327463Z",
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"elements": [
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"updated_at": "2021-11-28T01:35:40.492000Z",
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},
{
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"formula_full": "Si60 O120",
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"updated_at": "2021-11-28T01:36:42.895000Z",
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},
{
"id": "mp-704268",
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Cl\n0.911060 0.967616 0.253895 Cl\n0.588940 0.032384 0.753895 Cl\n0.411060 0.532384 0.746105 Cl\n0.088940 0.467616 0.246105 Cl\n0.593575 0.066585 0.465650 Cl\n0.906425 0.933415 0.965650 Cl\n0.093575 0.433415 0.534350 Cl\n0.406425 0.566585 0.034350 Cl\n0.948575 0.932262 0.572347 Cl\n0.551425 0.067738 0.072347 Cl\n0.448575 0.567738 0.427653 Cl\n0.051425 0.432262 0.927653 Cl\n0.525153 0.071377 0.298247 O\n0.974847 0.928623 0.798247 O\n0.025153 0.428623 0.701753 O\n0.474847 0.571377 0.201753 O\n0.963905 0.980552 0.419756 O\n0.536095 0.019448 0.919756 O\n0.463905 0.519448 0.580244 O\n0.036095 0.480552 0.080244 O\n",
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{
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{
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"elements": [
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"formula_full": "K32 Ti20 P8 O32 F88",
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"updated_at": "2021-11-28T01:36:34.248000Z",
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},
{
"id": "mp-699932",
"created_at": "2022-09-04T14:43:18.033995Z",
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"formula_full": "Ba12 Li8 Mo16 P24 Cl8 O112",
"formula_reduced": "Ba3Li2Mo4P6(ClO14)2",
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"updated_at": "2021-11-28T01:36:13.407000Z",
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}
]
}