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{
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{
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"structure_string": "K4 Co2 C8 S8 N8 O6\n1.0\n11.327969 0.000000 0.000000\n0.000000 7.394163 0.000000\n0.000000 0.000000 11.753684\nK Co C S N O\n4 2 8 8 8 6\ndirect\n0.196145 0.271967 0.640140 K\n0.803855 0.271967 0.359860 K\n0.696145 0.728033 0.859860 K\n0.303855 0.728033 0.140140 K\n0.500000 0.177022 0.500000 Co\n0.000000 0.822978 0.000000 Co\n0.388589 0.939314 0.661960 C\n0.611411 0.939314 0.338040 C\n0.888589 0.060686 0.838040 C\n0.111411 0.060686 0.161960 C\n0.172590 0.452026 0.882294 C\n0.827410 0.452026 0.117706 C\n0.672590 0.547974 0.617706 C\n0.327410 0.547974 0.382294 C\n0.395486 0.821870 0.775190 S\n0.604514 0.821870 0.224810 S\n0.895486 0.178130 0.724810 S\n0.104514 0.178130 0.275190 S\n0.302662 0.371016 0.897765 S\n0.697338 0.371016 0.102235 S\n0.802662 0.628984 0.602235 S\n0.197338 0.628984 0.397765 S\n0.376755 0.027300 0.576167 N\n0.623245 0.027300 0.423833 N\n0.876755 0.972700 0.923833 N\n0.123245 0.972700 0.076167 N\n0.074377 0.508776 0.862467 N\n0.925623 0.508776 0.137533 N\n0.574377 0.491224 0.637533 N\n0.425623 0.491224 0.362467 N\n0.082114 0.821649 0.874923 O\n0.917886 0.821649 0.125077 O\n0.582114 0.178351 0.625077 O\n0.417886 0.178351 0.374923 O\n0.500000 0.428678 0.500000 O\n0.000000 0.571322 0.000000 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
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],
"chemical_system": "C-Co-K-N-O-S",
"density": 1.4082390321729614,
"density_atomic": 0.03656683889324,
"volume": 984.4985535967455,
"volume_molar": 16.46885796604446,
"formula_full": "K4 Co2 C8 S8 N8 O6",
"formula_reduced": "K2CoC4S4N4O3",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -225.14170391,
"energy_per_atom": -6.253936219722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.83170391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0037863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.116000Z",
"spacegroup": 18
},
{
"id": "mp-1208843",
"created_at": "2022-09-04T14:47:00.760302Z",
"structure_string": "Sm4 Sn10\n1.0\n2.311611 -17.657756 0.000000\n2.311611 17.657756 0.000000\n0.000000 0.000000 4.640829\nSm Sn\n4 10\ndirect\n0.932423 0.067577 0.500000 Sm\n0.067577 0.932423 0.500000 Sm\n0.797628 0.202372 0.500000 Sm\n0.202372 0.797628 0.500000 Sm\n0.637415 0.362585 0.500000 Sn\n0.362585 0.637415 0.500000 Sn\n0.721028 0.278972 0.000000 Sn\n0.278972 0.721028 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.570664 0.429336 0.000000 Sn\n0.429336 0.570664 0.000000 Sn\n0.861918 0.138082 0.000000 Sn\n0.138082 0.861918 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Sn"
],
"chemical_system": "Sm-Sn",
"density": 7.839203330184162,
"density_atomic": 0.03695321339400952,
"volume": 378.8574447024826,
"volume_molar": 16.29666328551619,
"formula_full": "Sm4 Sn10",
"formula_reduced": "Sm2Sn5",
"formula_anonymous": "A2B5",
"energy": -66.17507178,
"energy_per_atom": -4.7267908414285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -66.17507178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.453000Z",
"spacegroup": 65
}
]
}