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  1. Third-Parties
  2. MatprojStructure
  3. mp-558201

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-558201
  • 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: 148
  • Number of elements: 5
  • Element list: ['Zr', 'Mn', 'Ag', 'Mo', 'O']
  • Chemical System: Ag-Mn-Mo-O-Zr
  • Density: 4.571570181912891
  • Atomic Density: 0.0639765490639834
  • Unit Cell Volume: 2313.347658873944
  • Molar Volume: 9.413044073348212
  • Full Formula: Zr4 Mn8 Ag16 Mo24 O96
  • Reduced Formula: ZrMn2Ag4(MoO4)6
  • Formula Anonymous: AB2C4D6E24
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1168.81932679
  • Final energy per atom: -7.897427883716217
  • 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.