Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1192298

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-1192298
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Mn', 'Mo', 'H', 'Se', 'O']
  • Chemical System: H-Mn-Mo-O-Se
  • Density: 3.7997629587090125
  • Atomic Density: 0.07985828367280216
  • Unit Cell Volume: 300.5323793125024
  • Molar Volume: 7.541034546490007
  • Full Formula: Mn2 Mo2 H4 Se2 O14
  • Reduced Formula: MnMoH2SeO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -169.60420701
  • Final energy per atom: -7.06684195875
  • 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.