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{
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I\n0.199756 0.800244 0.300244 I\n0.699756 0.699756 0.699756 I\n0.300244 0.199756 0.800244 I\n0.800244 0.300244 0.199756 I\n0.655257 0.344743 0.844743 N\n0.155257 0.155257 0.155257 N\n0.844743 0.655257 0.344743 N\n0.344743 0.844743 0.655257 N\n0.341547 0.658453 0.158453 N\n0.841547 0.841547 0.841547 N\n0.158453 0.341547 0.658453 N\n0.658453 0.158453 0.341547 N\n",
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"elements": [
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],
"chemical_system": "C-H-I-N-Sn",
"density": 1.8491950967028736,
"density_atomic": 0.07384692878807265,
"volume": 4549.952252777624,
"volume_molar": 8.154896701638677,
"formula_full": "Sn24 H224 C72 I8 N8",
"formula_reduced": "Sn3H28C9IN",
"formula_anonymous": "ABC3D9E28",
"energy": -1644.6256365800002,
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"updated_at": "2021-11-28T01:35:09.555000Z",
"spacegroup": 198
},
{
"id": "mp-757381",
"created_at": "2022-09-04T14:41:03.422249Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n10.132707 0.000000 0.000000\n0.000000 4.788633 0.000000\n0.000000 0.730611 7.235161\nLi Cr P O\n4 4 4 16\ndirect\n0.309735 0.735416 0.247028 Li\n0.731434 0.342236 0.250710 Li\n0.231434 0.657764 0.749290 Li\n0.809735 0.264584 0.752972 Li\n0.008954 0.825736 0.065567 Cr\n0.082551 0.262641 0.446993 Cr\n0.582551 0.737359 0.553007 Cr\n0.508954 0.174264 0.934433 Cr\n0.206494 0.203363 0.051123 P\n0.901586 0.724731 0.480056 P\n0.401586 0.275269 0.519944 P\n0.706494 0.796637 0.948877 P\n0.347994 0.091338 0.086590 O\n0.200577 0.525273 0.032891 O\n0.634813 0.919349 0.111806 O\n0.131021 0.054592 0.227019 O\n0.903681 0.626405 0.280229 O\n0.274256 0.408387 0.430451 O\n0.900769 0.048585 0.475663 O\n0.525055 0.402266 0.412754 O\n0.025055 0.597734 0.587246 O\n0.400769 0.951415 0.524337 O\n0.774256 0.591613 0.569549 O\n0.403681 0.373595 0.719771 O\n0.631021 0.945408 0.772981 O\n0.134813 0.080651 0.888194 O\n0.700577 0.474727 0.967109 O\n0.847994 0.908662 0.913410 O\n",
"nsites": 28,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9119663275007768,
"density_atomic": 0.07975773146933966,
"volume": 351.063144402041,
"volume_molar": 7.550541682990346,
"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy": -217.04739608,
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"spacegroup": 4
},
{
"id": "mp-1104450",
"created_at": "2022-09-04T14:41:03.422819Z",
"structure_string": "Dy3 Ga9 Pt2\n1.0\n-2.126776 4.923672 6.201119\n2.126776 -4.923672 6.201119\n2.126776 4.923672 -6.201119\nDy Ga Pt\n3 9 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.308342 0.308342 0.000000 Dy\n0.691658 0.691658 0.000000 Dy\n0.500000 0.000000 0.500000 Ga\n0.971444 0.342018 0.629425 Ga\n0.028556 0.657982 0.370575 Ga\n0.712593 0.342018 0.370575 Ga\n0.287407 0.657982 0.629425 Ga\n0.854444 0.136977 0.717467 Ga\n0.145556 0.863023 0.282533 Ga\n0.419511 0.136977 0.282533 Ga\n0.580489 0.863023 0.717467 Ga\n0.301550 0.500000 0.801550 Pt\n0.698450 0.500000 0.198450 Pt\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Ga-Pt",
"density": 9.622660692372225,
"density_atomic": 0.05389979508913897,
"volume": 259.7412471948536,
"volume_molar": 11.172845369895454,
"formula_full": "Dy3 Ga9 Pt2",
"formula_reduced": "Dy3Ga9Pt2",
"formula_anonymous": "A2B3C9",
"energy": -62.687839,
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"energy_uncorrected": -62.687839,
"band_gap": 0.0,
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"total_magnetization": 6.55e-05,
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"updated_at": "2021-11-28T01:35:24.681000Z",
"spacegroup": 71
},
{
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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.143000Z",
"spacegroup": 14
}
]
}