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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.965000Z",
"spacegroup": 200
},
{
"id": "mp-1209752",
"created_at": "2022-09-04T14:40:26.082786Z",
"structure_string": "Rb4 Na4 Al6 Ge6 O24\n1.0\n0.000000 0.000000 -5.387760\n0.000000 -8.500648 0.000000\n-15.828613 0.000000 0.000000\nRb Na Al Ge O\n4 4 6 6 24\ndirect\n0.809758 0.323565 0.741117 Rb\n0.309758 0.676435 0.758883 Rb\n0.309758 0.676435 0.241117 Rb\n0.809758 0.323565 0.258883 Rb\n0.795795 0.184576 0.000000 Na\n0.295795 0.815424 0.500000 Na\n0.295936 0.821192 0.000000 Na\n0.795936 0.178808 0.500000 Na\n0.337037 0.395496 0.000000 Al\n0.837037 0.604504 0.500000 Al\n0.822248 0.894857 0.858523 Al\n0.322248 0.105143 0.641477 Al\n0.322248 0.105143 0.358523 Al\n0.822248 0.894857 0.141477 Al\n0.837357 0.608493 0.000000 Ge\n0.337357 0.391507 0.500000 Ge\n0.822472 0.889413 0.641773 Ge\n0.322472 0.110587 0.858227 Ge\n0.322472 0.110587 0.141773 Ge\n0.822472 0.889413 0.358227 Ge\n0.933003 0.717549 0.589549 O\n0.433003 0.282451 0.910451 O\n0.433003 0.282451 0.089549 O\n0.933003 0.717549 0.410451 O\n0.511787 0.944167 0.887750 O\n0.011787 0.055833 0.612250 O\n0.011787 0.055833 0.387750 O\n0.511787 0.944167 0.112250 O\n0.510184 0.574460 0.000000 O\n0.010184 0.425540 0.500000 O\n0.841058 0.840536 0.750924 O\n0.341058 0.159464 0.749076 O\n0.341058 0.159464 0.250924 O\n0.841058 0.840536 0.249076 O\n0.509491 0.939167 0.613179 O\n0.009491 0.060833 0.886821 O\n0.009491 0.060833 0.113179 O\n0.509491 0.939167 0.386821 O\n0.011093 0.430543 0.000000 O\n0.511093 0.569457 0.500000 O\n0.932361 0.723107 0.910546 O\n0.432361 0.276893 0.589454 O\n0.432361 0.276893 0.410546 O\n0.932361 0.723107 0.089454 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Rb",
"Na",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-Na-O-Rb",
"density": 3.2424230287558307,
"density_atomic": 0.060694528336836605,
"volume": 724.941789741129,
"volume_molar": 9.92204886506228,
"formula_full": "Rb4 Na4 Al6 Ge6 O24",
"formula_reduced": "Rb2Na2Al3(GeO4)3",
"formula_anonymous": "A2B2C3D3E12",
"energy": -289.18122292,
"energy_per_atom": -6.57230052090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.69322292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.019000Z",
"spacegroup": 31
}
]
}