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{
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"created_at": "2022-09-04T14:44:17.285008Z",
"structure_string": "Rb4 Ag4 Te4 S12\n1.0\n11.006992 0.000000 0.000000\n0.000000 7.762950 0.000000\n0.000000 2.422947 8.406944\nRb Ag Te S\n4 4 4 12\ndirect\n0.240220 0.474643 0.884321 Rb\n0.759780 0.525357 0.115679 Rb\n0.740220 0.525357 0.615679 Rb\n0.259780 0.474643 0.384321 Rb\n0.249940 0.919047 0.519886 Ag\n0.750060 0.080953 0.480114 Ag\n0.749940 0.080953 0.980114 Ag\n0.250060 0.919047 0.019886 Ag\n0.501750 0.919771 0.771564 Te\n0.498250 0.080229 0.228436 Te\n0.001750 0.080229 0.728436 Te\n0.998250 0.919771 0.271564 Te\n0.052162 0.740670 0.530474 S\n0.947838 0.259330 0.469526 S\n0.552162 0.259330 0.969526 S\n0.447838 0.740670 0.030474 S\n0.719005 0.874122 0.780586 S\n0.280995 0.125878 0.219414 S\n0.219005 0.125878 0.719414 S\n0.780995 0.874122 0.280586 S\n0.446002 0.735905 0.603348 S\n0.553998 0.264095 0.396652 S\n0.946002 0.264095 0.896652 S\n0.053998 0.735905 0.103348 S\n",
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"elements": [
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"Te",
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],
"chemical_system": "Ag-Rb-S-Te",
"density": 3.856985099540199,
"density_atomic": 0.033410090144363115,
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"volume_molar": 18.024916227339315,
"formula_full": "Rb4 Ag4 Te4 S12",
"formula_reduced": "RbAgTeS3",
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"energy_uncorrected": -87.09994498,
"band_gap": 1.8309,
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"updated_at": "2021-11-28T01:36:27.590000Z",
"spacegroup": 14
},
{
"id": "mp-1227998",
"created_at": "2022-09-04T14:44:17.285707Z",
"structure_string": "Al1 Si1 C1 N1\n1.0\n1.554759 -2.692921 0.000000\n1.554759 2.692921 0.000000\n0.000000 0.000000 5.055804\nAl Si C N\n1 1 1 1\ndirect\n0.333333 0.666667 0.507161 Al\n0.666667 0.333333 0.997310 Si\n0.333333 0.666667 0.108605 C\n0.666667 0.333333 0.636924 N\n",
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"elements": [
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"Si",
"C",
"N"
],
"chemical_system": "Al-C-N-Si",
"density": 3.1803849836449025,
"density_atomic": 0.09448286936338818,
"volume": 42.335716801907246,
"volume_molar": 6.373791143914563,
"formula_full": "Al1 Si1 C1 N1",
"formula_reduced": "AlSiCN",
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"energy_uncorrected": -29.80387021,
"band_gap": 3.4136,
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"total_magnetization": 2.37e-05,
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"updated_at": "2021-11-28T01:36:31.298000Z",
"spacegroup": 156
},
{
"id": "mp-22901",
"created_at": "2022-09-04T14:44:21.581831Z",
"structure_string": "K1 I1\n1.0\n4.346382 0.000000 0.000000\n0.000000 4.346382 0.000000\n0.000000 0.000000 4.346382\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"I"
],
"chemical_system": "I-K",
"density": 3.3572273466570497,
"density_atomic": 0.024358262999920874,
"volume": 82.10766096114887,
"volume_molar": 24.723194589119768,
"formula_full": "K1 I1",
"formula_reduced": "KI",
"formula_anonymous": "AB",
"energy": -5.8561481,
"energy_per_atom": -2.92807405,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -5.4771481,
"band_gap": 3.2404,
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"is_magnetic": false,
"total_magnetization": 0.0005227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.125000Z",
"spacegroup": 221
}
]
}