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{
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"structure_string": "Rb2 Au2 N24\n1.0\n7.457833 0.007105 -0.079539\n-0.208161 7.454930 -0.079539\n-0.052294 -0.053826 7.884850\nRb Au N\n2 2 24\ndirect\n0.922267 0.077734 0.250000 Rb\n0.077733 0.922267 0.750000 Rb\n0.488043 0.511958 0.750000 Au\n0.511958 0.488043 0.250000 Au\n0.248407 0.474332 0.318521 N\n0.223456 0.534579 0.821057 N\n0.776544 0.465421 0.178942 N\n0.919885 0.280523 0.584320 N\n0.465421 0.776544 0.678942 N\n0.719477 0.080115 0.915679 N\n0.842880 0.592684 0.106468 N\n0.709830 0.913731 0.537677 N\n0.290170 0.086269 0.462323 N\n0.592684 0.842880 0.606468 N\n0.534580 0.223456 0.321057 N\n0.086270 0.290169 0.962323 N\n0.169798 0.605278 0.367880 N\n0.605278 0.169798 0.867880 N\n0.913730 0.709831 0.037677 N\n0.394722 0.830202 0.132120 N\n0.474333 0.248407 0.818521 N\n0.525668 0.751593 0.181479 N\n0.830202 0.394723 0.632120 N\n0.407317 0.157120 0.393531 N\n0.157120 0.407316 0.893531 N\n0.280523 0.919886 0.084320 N\n0.751593 0.525668 0.681479 N\n0.080115 0.719477 0.415679 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Au",
"N"
],
"chemical_system": "Au-N-Rb",
"density": 3.413423079148829,
"density_atomic": 0.0638792819873989,
"volume": 438.32678027789046,
"volume_molar": 9.427377034682316,
"formula_full": "Rb2 Au2 N24",
"formula_reduced": "RbAuN12",
"formula_anonymous": "ABC12",
"energy_above_hull": 5.450112612142858,
"spacegroup": 15
},
{
"id": "jvasp-88230",
"created_at": "2022-09-04T14:35:44.090909Z",
"updated_at": "2022-09-04T14:35:44.090949Z",
"structure_string": "Na4 Co4 P4 O16\n1.0\n5.227151 -0.004701 0.000000\n-0.033862 7.438555 0.000000\n0.000000 0.000000 9.943903\nNa Co P O\n4 4 4 16\ndirect\n0.711918 0.514848 0.118569 Na\n0.211918 0.014848 0.381430 Na\n0.288082 0.485152 0.881430 Na\n0.788082 0.985151 0.618569 Na\n0.800940 0.494226 0.670981 Co\n0.699060 0.005774 0.170981 Co\n0.300940 0.994225 0.829019 Co\n0.199061 0.505774 0.329019 Co\n0.806562 0.221241 0.903961 P\n0.693438 0.278759 0.403961 P\n0.193438 0.778759 0.096039 P\n0.306562 0.721240 0.596038 P\n0.221764 0.914481 0.639924 O\n0.742786 0.285891 0.557455 O\n0.242787 0.785891 0.942544 O\n0.095615 0.205160 0.870756 O\n0.159328 0.571621 0.671287 O\n0.595616 0.705160 0.629244 O\n0.278236 0.585518 0.139924 O\n0.904385 0.794839 0.129244 O\n0.404385 0.294839 0.370756 O\n0.340673 0.928378 0.171288 O\n0.257214 0.714108 0.442545 O\n0.778236 0.085518 0.360075 O\n0.840673 0.428378 0.328712 O\n0.757214 0.214108 0.057455 O\n0.659327 0.071622 0.828712 O\n0.721764 0.414481 0.860075 O\n",
"nsites": 28,
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"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.038885008015713,
"density_atomic": 0.0724184634071128,
"volume": 386.64173033599457,
"volume_molar": 8.315753299190433,
"formula_full": "Na4 Co4 P4 O16",
"formula_reduced": "NaCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.204392771428571,
"spacegroup": 14
}
]
}