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  1. Third-Parties
  2. MatprojStructure
  3. mp-726397

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-726397
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Mn', 'Si', 'H', 'O']
  • Chemical System: H-Mn-O-Si
  • Density: 3.1032688531931507
  • Atomic Density: 0.10208346541590375
  • Unit Cell Volume: 509.38709602131934
  • Molar Volume: 5.899232295323118
  • Full Formula: Mn8 Si4 H16 O24
  • Reduced Formula: Mn2Si(H2O3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -370.87258395
  • Final energy per atom: -7.132165075961538
  • 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.