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{
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{
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{
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{
"id": "mp-1289276",
"created_at": "2022-09-04T14:39:12.543268Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n0.003776 -3.160509 5.166268\n-3.482895 -5.780820 0.019768\n6.053089 -2.907687 -0.010324\nLi Ni Sn O\n6 4 2 12\ndirect\n0.749596 0.833513 0.333633 Li\n0.249603 0.833488 0.333573 Li\n0.755833 0.498892 0.980584 Li\n0.238575 0.527874 0.984014 Li\n0.743882 0.168110 0.686369 Li\n0.261259 0.138998 0.682744 Li\n0.507628 0.984511 0.991686 Ni\n0.992540 0.681989 0.674875 Ni\n0.007785 0.988793 0.994743 Ni\n0.492299 0.677803 0.671866 Ni\n0.501823 0.332688 0.332834 Sn\n0.998517 0.333767 0.333755 Sn\n0.651874 0.222423 0.006768 O\n0.119815 0.227565 0.008961 O\n0.848216 0.444146 0.659836 O\n0.380223 0.438981 0.657637 O\n0.618885 0.897869 0.669729 O\n0.150015 0.898293 0.667631 O\n0.881247 0.768695 0.996741 O\n0.350045 0.768321 0.998876 O\n0.631933 0.573136 0.324207 O\n0.133322 0.569251 0.328945 O\n0.868185 0.093525 0.342432 O\n0.366900 0.097365 0.337562 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.033925033950788,
"density_atomic": 0.10307831198527802,
"volume": 232.8326835952432,
"volume_molar": 5.84229664224624,
"formula_full": "Li6 Ni4 Sn2 O12",
"formula_reduced": "Li3Ni2SnO6",
"formula_anonymous": "AB2C3D6",
"energy": -144.81116350000002,
"energy_per_atom": -6.033798479166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.4031635,
"band_gap": 0.3442000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0006292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.416000Z",
"spacegroup": 2
},
{
"id": "mp-1235734",
"created_at": "2022-09-04T14:39:12.650679Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.734577 -0.400807 -1.245758\n-1.496568 5.266701 -2.116528\n0.407490 -0.207083 6.885920\nK Li H Se O\n2 1 2 2 6\ndirect\n0.366573 0.712632 0.216582 K\n0.748345 0.351724 0.868187 K\n0.366199 0.503366 0.567509 Li\n0.250338 0.132736 0.085746 H\n0.664522 0.858449 0.786939 H\n0.921119 0.144042 0.305312 Se\n0.109587 0.837975 0.696205 Se\n0.274389 0.147127 0.944824 O\n0.759562 0.876657 0.059425 O\n0.935744 0.419146 0.268477 O\n0.152610 0.601011 0.769758 O\n0.227975 0.153675 0.320765 O\n0.610537 0.813544 0.628789 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"K",
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-K-Li-O-Se",
"density": 2.7768191785867224,
"density_atomic": 0.0637380080398317,
"volume": 203.95993536346361,
"volume_molar": 9.448272616609843,
"formula_full": "K2 Li1 H2 Se2 O6",
"formula_reduced": "K2LiH2(SeO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy": -66.83007952,
"energy_per_atom": -5.1407753476923075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.708079520000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.203000Z",
"spacegroup": 1
}
]
}