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{
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{
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{
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},
{
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"elements": [
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"updated_at": "2021-11-28T01:35:22.332000Z",
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},
{
"id": "mp-677336",
"created_at": "2022-09-04T14:43:35.463566Z",
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},
{
"id": "mp-680180",
"created_at": "2022-09-04T14:45:56.440424Z",
"structure_string": "K24 Co8 C48 N48\n1.0\n8.398461 0.000000 0.000000\n0.000000 10.431145 0.000000\n0.000000 0.000000 26.770154\nK Co C N\n24 8 48 48\ndirect\n0.253946 0.759370 0.374592 K\n0.253946 0.240630 0.125408 K\n0.248390 0.000000 0.750000 K\n0.246054 0.259370 0.625408 K\n0.746054 0.759370 0.874592 K\n0.003864 0.722704 0.627506 K\n0.748390 0.500000 0.750000 K\n0.996136 0.277296 0.372494 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.496136 0.777296 0.127506 K\n0.251610 0.500000 0.250000 K\n0.246054 0.740630 0.874592 K\n0.753946 0.740630 0.374592 K\n0.000000 0.500000 0.500000 K\n0.003864 0.277296 0.872494 K\n0.500000 0.000000 0.000000 K\n0.503864 0.777296 0.627506 K\n0.746054 0.240630 0.625408 K\n0.496136 0.222704 0.372494 K\n0.996136 0.722704 0.127506 K\n0.503864 0.222704 0.872494 K\n0.751610 0.000000 0.250000 K\n0.753946 0.259370 0.125408 K\n0.750740 0.000000 0.750000 Co\n0.000000 0.000000 0.500000 Co\n0.749260 0.500000 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.250740 0.500000 0.750000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.249260 0.000000 0.250000 Co\n0.409361 0.451663 0.703809 C\n0.342689 0.449561 0.453234 C\n0.344884 0.448584 0.953468 C\n0.155116 0.948584 0.046532 C\n0.342689 0.550439 0.046766 C\n0.657311 0.550439 0.546766 C\n0.842689 0.949561 0.046766 C\n0.590639 0.451663 0.203809 C\n0.999386 0.164169 0.528191 C\n0.000614 0.164169 0.028191 C\n0.500614 0.335831 0.028191 C\n0.590639 0.548337 0.296191 C\n0.749105 0.334867 0.277498 C\n0.408598 0.951365 0.295954 C\n0.750895 0.165133 0.777498 C\n0.591402 0.048635 0.704046 C\n0.091402 0.548635 0.795954 C\n0.090639 0.951663 0.296191 C\n0.157311 0.949561 0.546766 C\n0.499386 0.335831 0.528191 C\n0.909361 0.951663 0.796191 C\n0.249105 0.165133 0.277498 C\n0.155116 0.051416 0.453468 C\n0.090639 0.048337 0.203809 C\n0.000614 0.835831 0.471809 C\n0.750895 0.834867 0.722502 C\n0.908598 0.548635 0.295954 C\n0.091402 0.451365 0.704046 C\n0.908598 0.451365 0.204046 C\n0.999386 0.835831 0.971809 C\n0.250895 0.334867 0.777498 C\n0.844884 0.051416 0.953468 C\n0.409361 0.548337 0.796191 C\n0.344884 0.551416 0.546532 C\n0.408598 0.048635 0.204046 C\n0.655116 0.551416 0.046532 C\n0.655116 0.448584 0.453468 C\n0.499386 0.664169 0.971809 C\n0.157311 0.050439 0.953234 C\n0.500614 0.664169 0.471809 C\n0.909361 0.048337 0.703809 C\n0.844884 0.948584 0.546532 C\n0.249105 0.834867 0.222502 C\n0.749105 0.665133 0.222502 C\n0.250895 0.665133 0.722502 C\n0.842689 0.050439 0.453234 C\n0.657311 0.449561 0.953234 C\n0.591402 0.951365 0.795954 C\n0.750040 0.583265 0.076353 N\n0.004353 0.081359 0.674203 N\n0.495739 0.081586 0.674615 N\n0.504353 0.581359 0.825797 N\n0.249879 0.766886 0.703665 N\n0.246611 0.416997 0.423888 N\n0.246611 0.583003 0.076112 N\n0.250121 0.266886 0.296335 N\n0.753389 0.583003 0.576112 N\n0.995739 0.418414 0.674615 N\n0.750040 0.416735 0.423647 N\n0.249960 0.583265 0.576353 N\n0.995739 0.581586 0.825385 N\n0.749960 0.083265 0.923647 N\n0.253389 0.916997 0.576112 N\n0.001312 0.734996 0.452154 N\n0.001312 0.265004 0.047846 N\n0.004261 0.581586 0.325385 N\n0.250040 0.916735 0.076353 N\n0.253389 0.083003 0.923888 N\n0.504261 0.918414 0.325385 N\n0.995647 0.081359 0.174203 N\n0.749879 0.733114 0.703665 N\n0.998688 0.265004 0.547846 N\n0.498688 0.765004 0.952154 N\n0.995647 0.918641 0.325797 N\n0.750121 0.766886 0.203665 N\n0.249960 0.416735 0.923647 N\n0.998688 0.734996 0.952154 N\n0.749879 0.266886 0.796335 N\n0.749960 0.916735 0.576353 N\n0.504261 0.081586 0.174615 N\n0.746611 0.916997 0.076112 N\n0.250121 0.733114 0.203665 N\n0.753389 0.416997 0.923888 N\n0.250040 0.083265 0.423647 N\n0.501312 0.765004 0.452154 N\n0.495647 0.418641 0.174203 N\n0.004261 0.418414 0.174615 N\n0.746611 0.083003 0.423888 N\n0.249879 0.233114 0.796335 N\n0.750121 0.233114 0.296335 N\n0.501312 0.234996 0.047846 N\n0.495739 0.918414 0.825385 N\n0.498688 0.234996 0.547846 N\n0.495647 0.581359 0.325797 N\n0.004353 0.918641 0.825797 N\n0.504353 0.418641 0.674203 N\n",
"nsites": 128,
"nelements": 4,
"elements": [
"K",
"Co",
"C",
"N"
],
"chemical_system": "C-Co-K-N",
"density": 1.8824754915292075,
"density_atomic": 0.05457923043562376,
"volume": 2345.2144520611387,
"volume_molar": 11.033759017733162,
"formula_full": "K24 Co8 C48 N48",
"formula_reduced": "K3Co(CN)6",
"formula_anonymous": "AB3C6D6",
"energy": -963.89345201,
"energy_per_atom": -7.530417593828125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -946.56545201,
"band_gap": 4.134399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.089000Z",
"spacegroup": 60
}
]
}