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"nsites": 296,
"nelements": 4,
"elements": [
"Al",
"H",
"C",
"O"
],
"chemical_system": "Al-C-H-O",
"density": 1.6060721979901942,
"density_atomic": 0.10551336108484624,
"volume": 2805.331921537199,
"volume_molar": 5.707467469600773,
"formula_full": "Al8 H128 C48 O112",
"formula_reduced": "AlH16(C3O7)2",
"formula_anonymous": "AB6C14D16",
"energy": -1858.79841181,
"energy_per_atom": -6.279724364222973,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1781.8544118100003,
"band_gap": 3.3858,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.877000Z",
"spacegroup": 142
},
{
"id": "mp-1198461",
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"nsites": 288,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-Na-O-P",
"density": 2.925912225446141,
"density_atomic": 0.07954302636256073,
"volume": 3620.6819525231904,
"volume_molar": 7.5709223490577395,
"formula_full": "Na80 Fe16 P32 O128 F32",
"formula_reduced": "Na5FeP2(O4F)2",
"formula_anonymous": "AB2C2D5E8",
"energy": -1858.50830281,
"energy_per_atom": -6.453153829201389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1719.69230281,
"band_gap": 2.4129,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 80.0001978,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.852000Z",
"spacegroup": 61
},
{
"id": "mp-3974",
"created_at": "2022-09-04T14:41:56.497136Z",
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"elements": [
"B",
"O",
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],
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"density": 4.720123230830723,
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"volume": 3824.2302651660943,
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"formula_full": "Ba60 B48 O132",
"formula_reduced": "Ba5B4O11",
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"energy": -1845.07210683,
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"updated_at": "2021-11-28T01:35:30.116000Z",
"spacegroup": 19
},
{
"id": "mp-1204533",
"created_at": "2022-09-04T14:43:00.443139Z",
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"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.490532246193378,
"density_atomic": 0.09614230383977675,
"volume": 2839.5408586729986,
"volume_molar": 6.263778294761929,
"formula_full": "Mg45 Si32 H58 O138",
"formula_reduced": "Mg45Si32(H29O69)2",
"formula_anonymous": "A32B45C58D138",
"energy": -1841.22213776,
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"band_gap": 4.3201,
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"total_magnetization": 0.0006439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.847000Z",
"spacegroup": 12
},
{
"id": "mp-1197910",
"created_at": "2022-09-04T14:43:20.685891Z",
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"nsites": 352,
"nelements": 5,
"elements": [
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"H",
"C",
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],
"chemical_system": "C-H-K-O-Si",
"density": 0.9326471736825873,
"density_atomic": 0.07382465662680372,
"volume": 4768.054686382359,
"volume_molar": 8.157356952492108,
"formula_full": "K8 Si32 H216 C72 O24",
"formula_reduced": "KSi4H27(C3O)3",
"formula_anonymous": "AB3C4D9E27",
"energy": -1839.37234836,
"energy_per_atom": -5.2254896260227275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1822.88434836,
"band_gap": 2.7486,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0085741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.190000Z",
"spacegroup": 148
},
{
"id": "mp-1198421",
"created_at": "2022-09-04T14:46:32.826566Z",
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"nsites": 288,
"nelements": 6,
"elements": [
"Na",
"Mg",
"Al",
"H",
"C",
"O"
],
"chemical_system": "Al-C-H-Mg-Na-O",
"density": 1.6125834825917533,
"density_atomic": 0.0931398596533074,
"volume": 3092.124049488764,
"volume_molar": 6.465696622709216,
"formula_full": "Na6 Mg6 Al6 H108 C36 O126",
"formula_reduced": "NaMgAlH18(C2O7)3",
"formula_anonymous": "ABCD6E18F21",
"energy": -1821.87550462,
"energy_per_atom": -6.325956613263888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1735.31350462,
"band_gap": 3.5646,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.221000Z",
"spacegroup": 158
},
{
"id": "mp-1204057",
"created_at": "2022-09-04T14:41:08.915974Z",
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"nelements": 2,
"elements": [
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],
"chemical_system": "O-Si",
"density": 1.7872991578818958,
"density_atomic": 0.0537413289963293,
"volume": 4019.2530410767004,
"volume_molar": 11.205790538621274,
"formula_full": "Si72 O144",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1793.3448158800002,
"energy_per_atom": -8.302522295740742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1694.41681588,
"band_gap": 5.3649,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000278,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.073000Z",
"spacegroup": 47
},
{
"id": "mp-1195463",
"created_at": "2022-09-04T14:48:27.710816Z",
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"created_at": "2022-09-04T14:41:22.689427Z",
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"nsites": 180,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"O"
],
"chemical_system": "O-Sc-Zr",
"density": 5.462692792818079,
"density_atomic": 0.08473054355510679,
"volume": 2124.381509283393,
"volume_molar": 7.107402487136578,
"formula_full": "Zr50 Sc12 O118",
"formula_reduced": "Zr25Sc6O59",
"formula_anonymous": "A6B25C59",
"energy": -1769.75634156,
"energy_per_atom": -9.831979675333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1688.69034156,
"band_gap": 3.5813,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.590000Z",
"spacegroup": 1
}
]
}