Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233065

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-1233065
  • 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: 45
  • Number of elements: 4
  • Element list: ['Y', 'Mg', 'Re', 'O']
  • Chemical System: Mg-O-Re-Y
  • Density: 5.53586120870773
  • Atomic Density: 0.07180097210073592
  • Unit Cell Volume: 626.7324617397314
  • Molar Volume: 8.387269118795505
  • Full Formula: Y14 Mg1 Re2 O28
  • Reduced Formula: Y14Mg(ReO14)2
  • Formula Anonymous: AB2C14D28
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -413.8415335
  • Final energy per atom: -9.196478522222224
  • 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.