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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180441

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-1180441
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Mn', 'Au', 'C', 'N', 'O']
  • Chemical System: Au-C-Mn-N-O
  • Density: 4.752565314697559
  • Atomic Density: 0.06360794102375013
  • Unit Cell Volume: 204.37699744354276
  • Molar Volume: 9.467592667009036
  • Full Formula: Mn1 Au2 C4 N4 O2
  • Reduced Formula: MnAu2C4(N2O)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -92.51554376
  • Final energy per atom: -7.116580289230769
  • 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.