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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202706

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-1202706
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'N', 'O']
  • Chemical System: H-Mn-N-O
  • Density: 1.7771742252768654
  • Atomic Density: 0.09193663931617278
  • Unit Cell Volume: 1566.2961042635004
  • Molar Volume: 6.550316397023914
  • Full Formula: Mn4 H48 N32 O60
  • Reduced Formula: MnH12N8O15
  • Formula Anonymous: AB8C12D15
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -885.51137395
  • Final energy per atom: -6.149384541319445
  • 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.