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{
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"structure_string": "Si8 Sn8 H164 C64 O12\n1.0\n-8.563472 -9.323385 2.901643\n-8.563472 9.323385 2.901643\n0.121057 -0.000000 -18.822322\nSi Sn H C O\n8 8 164 64 12\ndirect\n0.611702 0.145386 0.808312 Si\n0.854614 0.388298 0.691688 Si\n0.388298 0.854614 0.191688 Si\n0.145386 0.611702 0.308312 Si\n0.720927 0.342760 0.088779 Si\n0.657240 0.279073 0.411221 Si\n0.279073 0.657240 0.911221 Si\n0.342760 0.720927 0.588779 Si\n0.535479 0.115908 0.974156 Sn\n0.884092 0.464521 0.525844 Sn\n0.464521 0.884092 0.025844 Sn\n0.115908 0.535479 0.474156 Sn\n0.301846 0.144013 0.999693 Sn\n0.855987 0.698154 0.500307 Sn\n0.698154 0.855987 0.000307 Sn\n0.144013 0.301846 0.499693 Sn\n0.179277 0.029615 0.043384 H\n0.970385 0.820723 0.456616 H\n0.820723 0.970385 0.956616 H\n0.029615 0.179277 0.543384 H\n0.456977 0.051699 0.827347 H\n0.948301 0.543023 0.672653 H\n0.543023 0.948301 0.172653 H\n0.051699 0.456977 0.327347 H\n0.572479 0.986632 0.853403 H\n0.013368 0.427521 0.646597 H\n0.427521 0.013368 0.146597 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C\n0.643168 0.184214 0.471941 C\n0.184214 0.643168 0.971941 C\n0.356832 0.815786 0.528059 C\n0.619964 0.443116 0.079679 C\n0.556884 0.380036 0.420321 C\n0.380036 0.556884 0.920321 C\n0.443116 0.619964 0.579679 C\n0.802501 0.377327 0.189598 C\n0.622673 0.197499 0.310402 C\n0.197499 0.622673 0.810402 C\n0.377327 0.802501 0.689598 C\n0.274153 0.272449 0.093896 C\n0.727551 0.725847 0.406104 C\n0.725847 0.727551 0.906104 C\n0.272449 0.274153 0.593896 C\n0.169713 0.141412 0.865818 C\n0.858588 0.830287 0.634182 C\n0.830287 0.858588 0.134182 C\n0.141412 0.169713 0.365818 C\n0.410298 0.214944 0.960093 O\n0.785056 0.589702 0.539907 O\n0.589702 0.785056 0.039907 O\n0.214944 0.410298 0.460093 O\n0.419209 0.043769 0.013234 O\n0.956231 0.580791 0.486766 O\n0.580791 0.956231 0.986766 O\n0.043769 0.419209 0.513234 O\n0.194341 0.018426 0.993979 O\n0.981574 0.805659 0.506021 O\n0.805659 0.981574 0.006021 O\n0.018426 0.194341 0.493979 O\n",
"nsites": 256,
"nelements": 5,
"elements": [
"Si",
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Si-Sn",
"density": 1.2736867209656175,
"density_atomic": 0.08536124637453377,
"volume": 2999.019003035243,
"volume_molar": 7.054888507106679,
"formula_full": "Si8 Sn8 H164 C64 O12",
"formula_reduced": "Si2Sn2H41C16O3",
"formula_anonymous": "A2B2C3D16E41",
"energy": -1348.31596862,
"energy_per_atom": -5.266859252421875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1340.07196862,
"band_gap": 1.0935,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.455000Z",
"spacegroup": 15
},
{
"id": "mp-1199530",
"created_at": "2022-09-04T14:46:03.172966Z",
"structure_string": "Cu8 H96 C24 S24 I8 N48\n1.0\n14.440857 0.000000 0.000000\n0.000000 14.440857 0.000000\n0.000000 0.000000 14.383368\nCu H C S I N\n8 96 24 24 8 48\ndirect\n0.526337 0.862941 0.328901 Cu\n0.473663 0.137059 0.828901 Cu\n0.362941 0.973663 0.578901 Cu\n0.637059 0.026337 0.078901 Cu\n0.137059 0.473663 0.171099 Cu\n0.862941 0.526337 0.671099 Cu\n0.973663 0.362941 0.421099 Cu\n0.026337 0.637059 0.921099 Cu\n0.744206 0.917143 0.528344 H\n0.255794 0.082857 0.028344 H\n0.417143 0.755794 0.778344 H\n0.582857 0.244206 0.278344 H\n0.082857 0.255794 0.971656 H\n0.917143 0.744206 0.471656 H\n0.755794 0.417143 0.221656 H\n0.244206 0.582857 0.721656 H\n0.680318 0.862581 0.438059 H\n0.319682 0.137419 0.938059 H\n0.362581 0.819682 0.688059 H\n0.637419 0.180318 0.188059 H\n0.137419 0.319682 0.061941 H\n0.862581 0.680318 0.561941 H\n0.819682 0.362581 0.311941 H\n0.180318 0.637419 0.811941 H\n0.672170 0.991250 0.643395 H\n0.327830 0.008750 0.143395 H\n0.491250 0.827830 0.893395 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{
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{
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{
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"elements": [
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"density": 1.8561302265137558,
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"formula_full": "Cr4 Fe16 P8 C72 O72",
"formula_reduced": "CrFe4P2(CO)18",
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"updated_at": "2021-11-28T01:36:38.496000Z",
"spacegroup": 14
},
{
"id": "mp-1204183",
"created_at": "2022-09-04T14:39:10.672049Z",
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"elements": [
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],
"chemical_system": "C-Cl-H-Mo-N",
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"formula_full": "Mo8 H148 C48 N12 Cl32",
"formula_reduced": "Mo2H37C12N3Cl8",
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"updated_at": "2021-11-28T01:34:34.299000Z",
"spacegroup": 62
},
{
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