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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216318

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-1216318
  • 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: 29
  • Number of elements: 3
  • Element list: ['Y', 'Th', 'Mn']
  • Chemical System: Mn-Th-Y
  • Density: 8.2863882980015
  • Atomic Density: 0.06499944790883612
  • Unit Cell Volume: 446.1576356875132
  • Molar Volume: 9.2649106319276
  • Full Formula: Y3 Th3 Mn23
  • Reduced Formula: Y3Th3Mn23
  • Formula Anonymous: A3B3C23
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -249.82026075
  • Final energy per atom: -8.61449175
  • 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.