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{
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"structure_string": "In2 Ni3 S2\n1.0\n4.798967 -2.716141 0.000000\n4.798967 2.716141 0.000000\n3.261673 0.000000 4.446234\nIn Ni S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.723225 0.723225 0.723225 S\n0.276775 0.276775 0.276775 S\n",
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"formula_full": "In2 Ni3 S2",
"formula_reduced": "In2Ni3S2",
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"updated_at": "2021-11-28T01:34:25.252000Z",
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},
{
"id": "mp-571582",
"created_at": "2022-09-04T14:39:28.723616Z",
"structure_string": "Tl4 Hg12 Sb8 Br12\n1.0\n6.763563 0.000000 0.000000\n0.000000 13.485345 0.000000\n0.000000 0.000000 13.518030\nTl Hg Sb Br\n4 12 8 12\ndirect\n0.998122 0.750000 0.757528 Tl\n0.001878 0.750000 0.257528 Tl\n0.998122 0.250000 0.742472 Tl\n0.001878 0.250000 0.242472 Tl\n0.467056 0.000000 0.750000 Hg\n0.535682 0.750000 0.013243 Hg\n0.467056 0.500000 0.750000 Hg\n0.532944 0.000000 0.250000 Hg\n0.464318 0.250000 0.986757 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.535682 0.250000 0.486757 Hg\n0.464318 0.750000 0.513243 Hg\n0.532944 0.500000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.371706 0.943654 0.559865 Sb\n0.628294 0.943654 0.059865 Sb\n0.371706 0.556346 0.559865 Sb\n0.628294 0.556346 0.059865 Sb\n0.371706 0.443654 0.940135 Sb\n0.371706 0.056346 0.940135 Sb\n0.628294 0.443654 0.440135 Sb\n0.628294 0.056346 0.440135 Sb\n0.532898 0.750000 0.797483 Br\n0.532898 0.250000 0.702517 Br\n0.896874 0.250000 0.990598 Br\n0.898793 0.000000 0.750000 Br\n0.467102 0.750000 0.297483 Br\n0.898793 0.500000 0.750000 Br\n0.103126 0.750000 0.009402 Br\n0.101207 0.500000 0.250000 Br\n0.896874 0.750000 0.509402 Br\n0.101207 0.000000 0.250000 Br\n0.103126 0.250000 0.490598 Br\n0.467102 0.250000 0.202517 Br\n",
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],
"chemical_system": "Br-Hg-Sb-Tl",
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"formula_full": "Tl4 Hg12 Sb8 Br12",
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"updated_at": "2021-11-28T01:34:25.254000Z",
"spacegroup": 57
},
{
"id": "mp-1518069",
"created_at": "2022-09-04T14:39:32.442173Z",
"structure_string": "Sr2 Eu1 Bi1 O6\n1.0\n-0.000000 -4.343523 -4.343523\n4.343523 0.000000 -4.343523\n4.343523 -4.343523 -0.000000\nSr Eu Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Eu\n0.000000 -0.000000 0.000000 Bi\n0.757403 0.242597 0.242597 O\n0.242597 0.757403 0.757403 O\n0.757403 0.242597 0.757403 O\n0.242597 0.757403 0.242597 O\n0.757403 0.757403 0.242597 O\n0.242597 0.242597 0.757403 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Bi-Eu-O-Sr",
"density": 6.405219643549911,
"density_atomic": 0.061015985150932525,
"volume": 163.8914781964668,
"volume_molar": 9.869775510635943,
"formula_full": "Sr2 Eu1 Bi1 O6",
"formula_reduced": "Sr2EuBiO6",
"formula_anonymous": "ABC2D6",
"energy": -72.33801611,
"energy_per_atom": -7.233801611,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:25.255000Z",
"spacegroup": 225
},
{
"id": "mp-779008",
"created_at": "2022-09-04T14:39:34.516908Z",
"structure_string": "Li16 Mn12 O32\n1.0\n5.864481 -5.908389 0.000000\n5.864481 5.908389 0.000000\n-0.088143 0.000000 8.324268\nLi Mn O\n16 12 32\ndirect\n0.804344 0.011430 0.769374 Li\n0.988570 0.195656 0.230626 Li\n0.723926 0.000000 0.276074 Li\n0.856198 0.387801 0.388778 Li\n0.612199 0.143802 0.611222 Li\n0.500000 0.500000 0.500000 Li\n0.387801 0.388778 0.856198 Li\n0.611222 0.612199 0.143802 Li\n0.195656 0.230626 0.988570 Li\n0.769374 0.804344 0.011430 Li\n0.276074 0.723926 0.000000 Li\n0.000000 0.276074 0.723926 Li\n0.388778 0.856198 0.387801 Li\n0.143802 0.611222 0.612199 Li\n0.011430 0.769374 0.804344 Li\n0.230626 0.988570 0.195656 Li\n0.993611 0.500000 0.006389 Mn\n0.500000 0.006389 0.993611 Mn\n0.742081 0.257918 0.000000 Mn\n0.257919 0.000000 0.742082 Mn\n0.749986 0.506401 0.754722 Mn\n0.493599 0.250014 0.245278 Mn\n0.250014 0.245278 0.493599 Mn\n0.754722 0.749986 0.506401 Mn\n0.245278 0.493599 0.250014 Mn\n0.506401 0.754722 0.749986 Mn\n0.000000 0.742081 0.257919 Mn\n0.006389 0.993611 0.500000 Mn\n0.970214 0.270198 0.007699 O\n0.729802 0.029786 0.992301 O\n0.007533 0.506050 0.242719 O\n0.493950 0.992467 0.757281 O\n0.983556 0.517340 0.778426 O\n0.482660 0.016444 0.221574 O\n0.724369 0.251129 0.232854 O\n0.748871 0.275631 0.767146 O\n0.992301 0.729802 0.029786 O\n0.270198 0.007699 0.970214 O\n0.752182 0.522550 0.530749 O\n0.477450 0.247818 0.469251 O\n0.506050 0.242719 0.007533 O\n0.757281 0.493950 0.992467 O\n0.251129 0.232854 0.724369 O\n0.767146 0.748871 0.275631 O\n0.747279 0.747279 0.747279 O\n0.252721 0.252721 0.252721 O\n0.469251 0.477450 0.247818 O\n0.522550 0.530749 0.752182 O\n0.778426 0.983556 0.517340 O\n0.016444 0.221574 0.482660 O\n0.530749 0.752182 0.522550 O\n0.247818 0.469251 0.477450 O\n0.221574 0.482660 0.016444 O\n0.517340 0.778426 0.983556 O\n0.232854 0.724369 0.251129 O\n0.275631 0.767146 0.748871 O\n0.992467 0.757281 0.493950 O\n0.242719 0.007533 0.506050 O\n0.029786 0.992301 0.729802 O\n0.007699 0.970214 0.270198 O\n",
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"chemical_system": "Li-Mn-O",
"density": 3.691150643778883,
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"volume": 576.8656962022792,
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"formula_full": "Li16 Mn12 O32",
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"updated_at": "2021-11-28T01:34:25.259000Z",
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}
]
}