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"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 5.262601 0.187635\n5.955804 0.000000 0.000000\n0.000000 -5.010359 -9.465336\nLi Mn P O\n2 4 4 16\ndirect\n0.069119 0.370417 0.445374 Li\n0.069119 0.629583 0.945375 Li\n0.440238 0.879751 0.667230 Mn\n0.532443 0.356896 0.856060 Mn\n0.440237 0.120249 0.167230 Mn\n0.532443 0.643104 0.356060 Mn\n0.899510 0.603699 0.632283 P\n0.100015 0.110553 0.863550 P\n0.100014 0.889446 0.363550 P\n0.899510 0.396301 0.132283 P\n0.764189 0.879518 0.268825 O\n0.798144 0.818031 0.535664 O\n0.772782 0.420415 0.510230 O\n0.213554 0.919801 0.974391 O\n0.223539 0.331815 0.951148 O\n0.774614 0.388326 0.234818 O\n0.242393 0.589838 0.720011 O\n0.223539 0.668185 0.451148 O\n0.798144 0.181968 0.035664 O\n0.772782 0.579585 0.010230 O\n0.213554 0.080198 0.474391 O\n0.764189 0.120482 0.768825 O\n0.242393 0.410161 0.220010 O\n0.253023 0.894887 0.267794 O\n0.253024 0.105112 0.767794 O\n0.774614 0.611674 0.734818 O\n",
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"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mg",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mg-Mn-O-P",
"density": 3.2506955485900035,
"density_atomic": 0.0920130426551029,
"volume": 282.56863646447493,
"volume_molar": 6.544877319808988,
"formula_full": "Li2 Mg2 Mn1 Fe1 P4 O16",
"formula_reduced": "Li2Mg2MnFe(PO4)4",
"formula_anonymous": "ABC2D2E4F16",
"energy_above_hull": 2.755044186206897,
"spacegroup": 1
},
{
"id": "jvasp-97596",
"created_at": "2022-09-04T14:36:12.186275Z",
"updated_at": "2022-09-04T14:36:12.186301Z",
"structure_string": "Ba4 V2 Si4 O16\n1.0\n5.255267 0.000000 0.000000\n0.000000 8.548265 0.000000\n0.000000 0.000000 8.548265\nBa V Si O\n4 2 4 16\ndirect\n0.999321 0.328578 0.828577 Ba\n0.999321 0.828577 0.671422 Ba\n0.999321 0.671422 0.171422 Ba\n0.999321 0.171422 0.328578 Ba\n0.536558 0.000000 0.000000 V\n0.536558 0.500000 0.500000 V\n0.519855 0.129736 0.629736 Si\n0.519855 0.370264 0.129736 Si\n0.519855 0.629736 0.870263 Si\n0.519855 0.870263 0.370264 Si\n0.214255 0.871876 0.371876 O\n0.214255 0.628124 0.871876 O\n0.214255 0.371876 0.128124 O\n0.221836 0.500000 0.500000 O\n0.634390 0.000000 0.500000 O\n0.653265 0.295033 0.577597 O\n0.653265 0.422402 0.295033 O\n0.653265 0.577597 0.704967 O\n0.653265 0.704967 0.422402 O\n0.653265 0.204967 0.077598 O\n0.653265 0.795032 0.922402 O\n0.653265 0.922402 0.204967 O\n0.653265 0.077598 0.795032 O\n0.221836 0.000000 0.000000 O\n0.634390 0.500000 0.000000 O\n0.214255 0.128124 0.628124 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"V",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-V",
"density": 4.408547817713638,
"density_atomic": 0.0677052908624328,
"volume": 384.0172557980466,
"volume_molar": 8.894638341095241,
"formula_full": "Ba4 V2 Si4 O16",
"formula_reduced": "Ba2V(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.545812410769231,
"spacegroup": 100
}
]
}