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{
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"structure_string": "Cr24 H64 N16 O80\n1.0\n9.434164 0.000000 0.000000\n0.000000 11.398568 0.000000\n0.000000 0.000000 19.224087\nCr H N O\n24 64 16 80\ndirect\n0.002827 0.804933 0.476936 Cr\n0.798068 0.630155 0.113677 Cr\n0.997173 0.195067 0.523064 Cr\n0.991283 0.001695 0.267046 Cr\n0.991283 0.501695 0.232954 Cr\n0.491283 0.998305 0.232954 Cr\n0.002827 0.304933 0.023064 Cr\n0.502827 0.195067 0.023064 Cr\n0.502827 0.695067 0.476936 Cr\n0.701932 0.130155 0.886323 Cr\n0.497173 0.804933 0.976936 Cr\n0.701932 0.630155 0.613677 Cr\n0.508717 0.001695 0.767046 Cr\n0.008717 0.998305 0.732954 Cr\n0.201932 0.869845 0.613677 Cr\n0.008717 0.498305 0.767046 Cr\n0.201932 0.369845 0.886323 Cr\n0.298068 0.869845 0.113677 Cr\n0.997173 0.695067 0.976936 Cr\n0.491283 0.498305 0.267046 Cr\n0.497173 0.304933 0.523064 Cr\n0.508717 0.501695 0.732954 Cr\n0.798068 0.130155 0.386323 Cr\n0.298068 0.369845 0.386323 Cr\n0.287585 0.062006 0.458295 H\n0.699867 0.213940 0.692177 H\n0.854630 0.775017 0.782272 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"nelements": 4,
"elements": [
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"H",
"N",
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],
"chemical_system": "Cr-H-N-O",
"density": 2.262326942577528,
"density_atomic": 0.08900581551454931,
"volume": 2067.2806483068794,
"volume_molar": 6.766008181808742,
"formula_full": "Cr24 H64 N16 O80",
"formula_reduced": "Cr3H8(NO5)2",
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"energy": -1195.88244121,
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"updated_at": "2021-11-28T01:37:17.874000Z",
"spacegroup": 61
},
{
"id": "mp-24733",
"created_at": "2022-09-04T14:39:43.388974Z",
"structure_string": "Na8 Zn8 P24 H64 O80\n1.0\n9.346763 0.000000 0.000000\n0.000000 14.844853 0.000000\n0.000000 0.000000 14.984469\nNa Zn P H O\n8 8 24 64 80\ndirect\n0.074463 0.163876 0.426659 Na\n0.574463 0.336124 0.573341 Na\n0.925537 0.663876 0.073341 Na\n0.425537 0.836124 0.926659 Na\n0.925537 0.836124 0.573341 Na\n0.425537 0.663876 0.426659 Na\n0.074463 0.336124 0.926659 Na\n0.574463 0.163876 0.073341 Na\n0.448412 0.161629 0.452174 Zn\n0.948412 0.338371 0.547826 Zn\n0.551588 0.661629 0.047826 Zn\n0.051588 0.838371 0.952174 Zn\n0.551588 0.838371 0.547826 Zn\n0.051588 0.661629 0.452174 Zn\n0.448412 0.338371 0.952174 Zn\n0.948412 0.161629 0.047826 Zn\n0.239869 0.224691 0.616897 P\n0.739869 0.275309 0.383103 P\n0.760131 0.724691 0.883103 P\n0.260131 0.775309 0.116897 P\n0.760131 0.775309 0.383103 P\n0.260131 0.724691 0.616897 P\n0.239869 0.275309 0.116897 P\n0.739869 0.224691 0.883103 P\n0.465964 0.031634 0.261550 P\n0.965964 0.468366 0.738450 P\n0.534036 0.531634 0.238450 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"elements": [
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"density": 2.232315738771314,
"density_atomic": 0.08849919765195906,
"volume": 2079.1148946187864,
"volume_molar": 6.804740517177662,
"formula_full": "Na8 Zn8 P24 H64 O80",
"formula_reduced": "NaZnP3(H4O5)2",
"formula_anonymous": "ABC3D8E10",
"energy": -1084.28365945,
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"updated_at": "2021-11-28T01:34:33.156000Z",
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},
{
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{
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