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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200911

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-1200911
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 7
  • Element list: ['Mn', 'P', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-Mn-N-O-P
  • Density: 1.6213211871991524
  • Atomic Density: 0.0863130434890466
  • Unit Cell Volume: 625.6296594019741
  • Molar Volume: 6.977092356573233
  • Full Formula: Mn2 P2 H30 C6 N2 Cl6 O6
  • Reduced Formula: MnPH15C3N(ClO)3
  • Formula Anonymous: ABCD3E3F3G15
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -288.6246912
  • Final energy per atom: -5.344901688888888
  • 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.