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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204234

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-1204234
  • 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: 44
  • Number of elements: 6
  • Element list: ['Mn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mn-N-O-P
  • Density: 2.280355422396855
  • Atomic Density: 0.1094704879073271
  • Unit Cell Volume: 401.93481221394086
  • Molar Volume: 5.501154580673907
  • Full Formula: Mn2 P4 H18 C4 N2 O14
  • Reduced Formula: MnP2H9C2NO7
  • Formula Anonymous: ABC2D2E7F9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -281.84058765
  • Final energy per atom: -6.405467901136363
  • 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.