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{
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{
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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:05.324000Z",
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},
{
"id": "mp-2983",
"created_at": "2022-09-04T14:40:03.176762Z",
"structure_string": "Ba12 P24 N48\n1.0\n10.341605 0.000000 0.000000\n0.000000 10.341605 0.000000\n0.000000 0.000000 10.341605\nBa P N\n12 24 48\ndirect\n0.367700 0.132300 0.867700 Ba\n0.132300 0.867700 0.367700 Ba\n0.867700 0.367700 0.132300 Ba\n0.632300 0.632300 0.632300 Ba\n0.632300 0.867700 0.132300 Ba\n0.867700 0.132300 0.632300 Ba\n0.132300 0.632300 0.867700 Ba\n0.367700 0.367700 0.367700 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.684398 0.333339 0.392552 P\n0.184398 0.166661 0.607448 P\n0.315602 0.833339 0.107448 P\n0.166661 0.607448 0.184398 P\n0.107448 0.315602 0.833339 P\n0.607448 0.184398 0.166661 P\n0.333339 0.392552 0.684398 P\n0.392552 0.684398 0.333339 P\n0.833339 0.107448 0.315602 P\n0.666661 0.892552 0.815602 P\n0.892552 0.815602 0.666661 P\n0.815602 0.666661 0.892552 P\n0.315602 0.666661 0.607448 P\n0.815602 0.833339 0.392552 P\n0.684398 0.166661 0.892552 P\n0.833339 0.392552 0.815602 P\n0.892552 0.684398 0.166661 P\n0.392552 0.815602 0.833339 P\n0.666661 0.607448 0.315602 P\n0.607448 0.315602 0.666661 P\n0.166661 0.892552 0.684398 P\n0.333339 0.107448 0.184398 P\n0.107448 0.184398 0.333339 P\n0.184398 0.333339 0.107448 P\n0.719636 0.488603 0.408663 N\n0.219636 0.011397 0.591337 N\n0.280364 0.988603 0.091337 N\n0.011397 0.591337 0.219636 N\n0.091337 0.280364 0.988603 N\n0.591337 0.219636 0.011397 N\n0.488603 0.408663 0.719636 N\n0.408663 0.719636 0.488603 N\n0.988603 0.091337 0.280364 N\n0.511397 0.908663 0.780364 N\n0.908663 0.780364 0.511397 N\n0.780364 0.511397 0.908663 N\n0.280364 0.511397 0.591337 N\n0.780364 0.988603 0.408663 N\n0.719636 0.011397 0.908663 N\n0.988603 0.408663 0.780364 N\n0.908663 0.719636 0.011397 N\n0.408663 0.780364 0.988603 N\n0.511397 0.591337 0.280364 N\n0.591337 0.280364 0.511397 N\n0.180660 0.750916 0.610669 N\n0.011397 0.908663 0.719636 N\n0.091337 0.219636 0.488603 N\n0.219636 0.488603 0.091337 N\n0.819340 0.249084 0.389331 N\n0.319340 0.250916 0.610669 N\n0.180660 0.749084 0.110669 N\n0.250916 0.610669 0.319340 N\n0.110669 0.180660 0.749084 N\n0.610669 0.319340 0.250916 N\n0.249084 0.389331 0.819340 N\n0.389331 0.819340 0.249084 N\n0.749084 0.110669 0.180660 N\n0.750916 0.889331 0.680660 N\n0.889331 0.680660 0.750916 N\n0.680660 0.750916 0.889331 N\n0.319340 0.249084 0.110669 N\n0.110669 0.319340 0.249084 N\n0.249084 0.110669 0.319340 N\n0.250916 0.889331 0.819340 N\n0.610669 0.180660 0.750916 N\n0.750916 0.610669 0.180660 N\n0.389331 0.680660 0.749084 N\n0.889331 0.819340 0.250916 N\n0.749084 0.389331 0.680660 N\n0.819340 0.250916 0.889331 N\n0.680660 0.749084 0.389331 N\n0.488603 0.091337 0.219636 N\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Ba",
"P",
"N"
],
"chemical_system": "Ba-N-P",
"density": 4.599594788831356,
"density_atomic": 0.07594784383810739,
"volume": 1106.0221825264298,
"volume_molar": 7.9293110319721105,
"formula_full": "Ba12 P24 N48",
"formula_reduced": "Ba(PN2)2",
"formula_anonymous": "AB2C4",
"energy": -640.42679111,
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"updated_at": "2021-11-28T01:34:47.650000Z",
"spacegroup": 205
}
]
}