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@will

magnet enjoyer

5450 XPLevel 55
5 followers1 following
4.97K files0 datasets1 services

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4923 total

Fe2NiSiV (P4/mmm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -11.6819 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

9mo

Fe2NiSiV (P4/mmm)

.cif

Fe2NiSiV (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

9mo

MnFe2SiNi phase diagram

.html

Phase diagram of MnFe2SiNi; eabovehull: 1.238905 eV/atom; predicted_stable: False

9mo

Fe2NiMnSi (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 153.8748 eV; energy change = -54972.6486 eV; symmetry: P4mm → P1

9mo

Fe2NiMnSi (P4mm)

.cif

Fe2NiMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

MnFeSiNi phase diagram

.html

Phase diagram of MnFeSiNi; eabovehull: 0.136581 eV/atom; predicted_stable: False

9mo

NiMnFeSi (Pmmm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.7889 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

9mo

NiMnFeSi (Pmmm)

.cif

NiMnFeSi (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

9mo

MnFe4SiB2 phase diagram 1

.html

Phase diagram of MnFe4SiB2; eabovehull: 0.441857 eV/atom; predicted_stable: False

9mo

Fe4MnSiB2 (P4/mmm) 1 - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.2611 eV; energy change = -0.0030 eV; symmetry: P4/mmm → P4/mmm

9mo

Fe4MnSiB2 (P4/mmm) 1

.cif

Fe4MnSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

9mo

MnFe2NiGe phase diagram

.html

Phase diagram of MnFe2NiGe; eabovehull: 4.725309 eV/atom; predicted_stable: False

9mo

Fe2NiMnGe (P4/mmm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -13.5566 eV; energy change = -0.0000 eV; symmetry: P4/mmm → P4/mmm

9mo

Fe2NiMnGe (P4/mmm)

.cif

Fe2NiMnGe (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

9mo

MnAlFe2Ni phase diagram 1

.html

Phase diagram of MnAlFe2Ni; eabovehull: 1.190918 eV/atom; predicted_stable: False

9mo

Fe2NiMnAl (P4mm) 1 - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.8458 eV; energy change = -38.5475 eV; symmetry: P4mm → P4mm

9mo

Fe2NiMnAl (P4mm) 1

.cif

Fe2NiMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

Fe2NiSiAl (P4mm)

.cif

Fe2NiSiAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

Fe6NiBN phase diagram

.html

Phase diagram of Fe6NiBN; eabovehull: 0.394170 eV/atom; predicted_stable: False

9mo

Fe12Ni2B2N2 (Imm2) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -131.6204 eV; energy change = -129.0832 eV; symmetry: Imm2 → Pc

9mo
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