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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200370

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1200370
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 5
  • Element list: ['Mg', 'B', 'H', 'C', 'O']
  • Chemical System: B-C-H-Mg-O
  • Density: 0.7316876289231118
  • Atomic Density: 0.09150324659142502
  • Unit Cell Volume: 1792.2861331061101
  • Molar Volume: 6.581341082781153
  • Full Formula: Mg4 B24 H112 C16 O8
  • Reduced Formula: MgB6H28(C2O)2
  • Formula Anonymous: AB2C4D6E28
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -775.1049750899999
  • Final energy per atom: -4.726249848109756
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.