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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199595

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-1199595
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 6
  • Element list: ['Mn', 'Sn', 'H', 'C', 'Se', 'N']
  • Chemical System: C-H-Mn-N-Se-Sn
  • Density: 2.8103157444424074
  • Atomic Density: 0.0565033751594813
  • Unit Cell Volume: 867.2048326617136
  • Molar Volume: 10.65801953069609
  • Full Formula: Mn1 Sn4 H24 C8 Se10 N2
  • Reduced Formula: MnSn4H24C8(Se5N)2
  • Formula Anonymous: AB2C4D8E10F24
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -247.96217121000004
  • Final energy per atom: -5.06045247367347
  • 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.