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{
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{
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{
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"structure_string": "Rb1 Li1 Cu2 H3 S2 O10\n1.0\n-4.065333 -3.372906 2.095783\n4.062447 -3.368995 -2.094990\n4.213508 -3.369407 6.354221\nRb Li Cu H S O\n1 1 2 3 2 10\ndirect\n0.403803 0.905259 0.500357 Rb\n0.868174 0.368382 0.497700 Li\n0.001537 0.480398 0.018396 Cu\n0.503906 0.001236 0.986832 Cu\n0.714128 0.509579 0.815141 H\n0.330952 0.528233 0.180347 H\n0.521085 0.492205 0.992111 H\n0.075286 0.199911 0.727432 S\n0.927655 0.806498 0.270993 S\n0.786005 0.109617 0.749642 O\n0.154346 0.406250 0.803136 O\n0.208878 0.960337 0.196055 O\n0.856343 0.540139 0.247719 O\n0.656941 0.410633 0.943064 O\n0.355956 0.602344 0.052911 O\n0.150092 0.972126 0.806536 O\n0.780471 0.963898 0.191974 O\n0.193162 0.331305 0.531009 O\n0.860404 0.726381 0.467645 O\n",
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"elements": [
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"In",
"Ni"
],
"chemical_system": "In-Mg-Ni",
"density": 7.2216937360278814,
"density_atomic": 0.06781815933582173,
"volume": 58.98125279680348,
"volume_molar": 8.879835163587357,
"formula_full": "Mg1 In1 Ni2",
"formula_reduced": "MgInNi2",
"formula_anonymous": "ABC2",
"energy": -16.69747027,
"energy_per_atom": -4.1743675675,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.69747027,
"band_gap": 0.0,
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"total_magnetization": 0.0008802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.986000Z",
"spacegroup": 225
},
{
"id": "mp-1101844",
"created_at": "2022-09-04T14:44:46.020088Z",
"structure_string": "Dy2 Ga8 Ni2\n1.0\n-4.124811 0.000000 0.000000\n0.000000 0.000000 -6.579036\n2.062405 -7.636486 0.000000\nDy Ga Ni\n2 8 2\ndirect\n0.381733 0.750000 0.763466 Dy\n0.618267 0.250000 0.236534 Dy\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.572299 0.750000 0.144599 Ga\n0.427701 0.250000 0.855401 Ga\n0.186409 0.551035 0.372818 Ga\n0.813591 0.448965 0.627182 Ga\n0.186409 0.948965 0.372818 Ga\n0.813591 0.051035 0.627182 Ga\n0.724620 0.750000 0.449241 Ni\n0.275380 0.250000 0.550759 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Ni"
],
"chemical_system": "Dy-Ga-Ni",
"density": 8.014259340642337,
"density_atomic": 0.05790570712902829,
"volume": 207.23345927303887,
"volume_molar": 10.399908849366394,
"formula_full": "Dy2 Ga8 Ni2",
"formula_reduced": "DyGa4Ni",
"formula_anonymous": "ABC4",
"energy": -51.45798951,
"energy_per_atom": -4.2881657925,
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"energy_uncorrected": -51.45798951,
"band_gap": 0.0,
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"total_magnetization": 0.0009364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.819000Z",
"spacegroup": 63
}
]
}