Showing 60 of 180 screened entries.
Collinearity Based on noncollinear
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Material
|
MAGNDATA IDs
i
A screened entry may correspond to one or more entries in the MAGNDATA database.
|
Collinearity
i
Whether the magnetic configuration was collinear in MAGNDATA or constructed from a noncollinear entry.
|
Space group |
$\Delta E^{\mathrm{max}}_{\mathrm{split}}$
i
Largest spin splitting within ±3 eV of the Fermi level in the high-throughput calculation.
|
$\Delta E^{\mathrm{avg}}_{\mathrm{split}}$
i
Brillouin-zone average of the largest spin splitting at each k-point within the same energy window.
|
FΔ
i
Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
|
KS Gap
i
The band gap from Kohn-Sham DFT.
|
Min abundance
i
Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
|
|
$\mathrm{CrSe}$
anyt:am-1-0004
|
2.35 |
Based on noncollinear |
P6_3/mmc |
0.800 eV |
0.489 eV |
35.9% |
0.000 eV |
0.050 ppm |
|
$\mathrm{Ca(Al_{2}Fe)_{4}}$
anyt:am-1-0006
|
0.236 |
Based on noncollinear |
I4/mmm |
0.628 eV |
0.374 eV |
37.5% |
0.000 eV |
41,500 ppm |
|
$\mathrm{Cu_{2}O_{3}Cl}$
anyt:am-1-0007
|
0.296, 0.295 |
Based on noncollinear |
P2_1/c |
0.553 eV |
0.233 eV |
35.4% |
0.000 eV |
60.0 ppm |
|
$\mathrm{MnNbP}$
anyt:am-1-0009
|
0.803 |
Based on noncollinear |
Pnma |
0.457 eV |
0.276 eV |
35.0% |
0.000 eV |
20.0 ppm |
|
$\mathrm{NiF_{2}}$
anyt:am-1-0010
|
0.36 |
Based on noncollinear |
P4_2/mnm |
0.392 eV |
0.180 eV |
27.1% |
5.268 eV |
84.0 ppm |
|
$\mathrm{La_{2}CoIrO_{6}}$
anyt:am-1-0020
|
0.375 |
Based on noncollinear |
P2_1/c |
0.272 eV |
0.121 eV |
24.1% |
0.000 eV |
0.001 ppm |
|
$\mathrm{CoH_{6}(CO_{3})_{2}}$
anyt:am-1-0027
|
0.1049 |
Based on noncollinear |
P2_1/c |
0.245 eV |
0.132 eV |
14.8% |
1.908 eV |
25.0 ppm |
|
$\mathrm{Mn_{2}GeO_{4}}$
anyt:am-1-0030
|
0.103, 0.101, 0.102 |
Based on noncollinear |
Pnma |
0.239 eV |
0.127 eV |
23.1% |
0.594 eV |
1.5 ppm |
|
$\mathrm{SmCrO_{3}}$
anyt:am-1-0037
|
0.698, 0.697 |
Based on noncollinear |
Pnma |
0.222 eV |
0.095 eV |
20.5% |
3.115 eV |
7.0 ppm |
|
$\mathrm{Cu_{2}H_{3}ClO_{3}}$
anyt:am-1-0055
|
0.295 |
Based on noncollinear |
P2_1/c |
0.186 eV |
0.055 eV |
23.1% |
1.749 eV |
60.0 ppm |
|
$\mathrm{BaNa_{2}V_{2}FeO_{8}}$
anyt:am-1-0061
|
0.298 |
Based on noncollinear |
C2/c |
0.174 eV |
0.102 eV |
21.0% |
2.710 eV |
120.0 ppm |
|
$\mathrm{ZrCo_{2}(GeO_{3})_{4}}$
anyt:am-1-0064
|
0.314 |
Based on noncollinear |
P4/nbm |
0.170 eV |
0.110 eV |
17.8% |
2.628 eV |
1.5 ppm |
|
$\mathrm{YVO_{3}}$
anyt:am-1-0065
|
0.788 |
Based on noncollinear |
P2_1/c |
0.168 eV |
0.067 eV |
20.8% |
2.043 eV |
33.0 ppm |
|
$\mathrm{NdCrO_{3}}$
anyt:am-1-0067
|
0.589 |
Based on noncollinear |
Pnma |
0.165 eV |
0.107 eV |
19.6% |
3.079 eV |
41.5 ppm |
|
$\mathrm{CoFePO_{5}}$
anyt:am-1-0069
|
0.262 |
Based on noncollinear |
Pnma |
0.164 eV |
0.103 eV |
26.9% |
2.399 eV |
25.0 ppm |
|
$\mathrm{FeF_{3}}$
anyt:am-1-0072
|
1.0.33 |
Based on noncollinear |
P6_3/m |
0.159 eV |
0.080 eV |
31.2% |
3.764 eV |
585.0 ppm |
|
$\mathrm{LuCrO_{3}}$
anyt:am-1-0074
|
0.1068 |
Based on noncollinear |
Pnma |
0.158 eV |
0.125 eV |
19.8% |
3.192 eV |
0.800 ppm |
|
$\mathrm{YMnO_{3}}$
anyt:am-1-0084
|
0.6 |
Based on noncollinear |
P6_3cm |
0.145 eV |
0.092 eV |
21.9% |
1.304 eV |
33.0 ppm |
|
$\mathrm{Ca_{2}MnReO_{6}}$
anyt:am-1-0085
|
0.204 |
Based on noncollinear |
P2_1/c |
0.144 eV |
0.076 eV |
11.5% |
0.000 eV |
0.001 ppm |
|
$\mathrm{Co_{2}SiO_{4}}$
anyt:am-1-0086
|
0.218, 0.219 |
Based on noncollinear |
Pnma |
0.144 eV |
0.101 eV |
22.2% |
2.506 eV |
25.0 ppm |
|
$\mathrm{Li_{2}Co(SO_{4})_{2}}$
anyt:am-1-0094
|
0.121 |
Based on noncollinear |
P2_1/c |
0.136 eV |
0.088 eV |
20.5% |
3.224 eV |
20.0 ppm |
|
$\mathrm{HoMnO_{3}}$
anyt:am-1-0099
|
0.31, 0.32, 0.33 |
Based on noncollinear |
P6_3cm |
0.134 eV |
0.084 eV |
25.0% |
1.310 eV |
1.3 ppm |
|
$\mathrm{LuFeO_{3}}$
anyt:am-1-0103
|
0.117 |
Based on noncollinear |
P6_3cm |
0.131 eV |
0.077 eV |
24.4% |
1.794 eV |
0.800 ppm |
|
$\mathrm{Sr_{2}YbRuO_{6}}$
anyt:am-1-0104
|
0.670, 0.669 |
Based on noncollinear |
P2_1/c |
0.131 eV |
0.072 eV |
22.3% |
0.982 eV |
0.001 ppm |
|
$\mathrm{Er_{2}Cu_{2}O_{5}}$
anyt:am-1-0106
|
0.240 |
Based on noncollinear |
Pna2_1 |
0.129 eV |
0.071 eV |
23.6% |
1.732 eV |
3.5 ppm |
|
$\mathrm{MgCr_{2}O_{4}}$
anyt:am-1-0107
|
3.4 |
Based on noncollinear |
Fd-3m |
0.127 eV |
0.093 eV |
39.3% |
1.545 eV |
102.0 ppm |
|
$\mathrm{Sr_{2}TbRuO_{6}}$
anyt:am-1-0110
|
0.791 |
Based on noncollinear |
P2_1/c |
0.122 eV |
0.079 eV |
24.1% |
1.044 eV |
0.001 ppm |
|
$\mathrm{Fe_{2}H_{4}NF_{6}}$
anyt:am-1-0111
|
0.168 |
Based on noncollinear |
Pnma |
0.121 eV |
0.065 eV |
6.2% |
1.828 eV |
19.0 ppm |
|
$\mathrm{CaNi_{3}P_{4}O_{14}}$
anyt:am-1-0114
|
0.948 |
Based on noncollinear |
P2_1/c |
0.120 eV |
0.075 eV |
24.0% |
4.464 eV |
84.0 ppm |
|
$\mathrm{Li_{2}Mn(SO_{4})_{2}}$
anyt:am-1-0117
|
0.122 |
Based on noncollinear |
P2_1/c |
0.118 eV |
0.051 eV |
20.8% |
5.101 eV |
20.0 ppm |
|
$\mathrm{SrMnVHO_{5}}$
anyt:am-1-0120
|
0.165 |
Based on noncollinear |
P2_12_12_1 |
0.108 eV |
0.073 eV |
21.2% |
2.356 eV |
120.0 ppm |
|
$\mathrm{ScMnO_{3}}$
anyt:am-1-0121
|
0.7, 0.8 |
Based on noncollinear |
P6_3cm |
0.107 eV |
0.076 eV |
20.6% |
1.400 eV |
22.0 ppm |
|
$\mathrm{RbFe_{2}F_{6}}$
anyt:am-1-0126
|
0.192 |
Based on noncollinear |
Pnma |
0.103 eV |
0.064 eV |
5.7% |
1.744 eV |
90.0 ppm |
|
$\mathrm{CoH_{9}C_{4}NO_{6}}$
anyt:am-1-0129
|
0.368 |
Based on noncollinear |
Pnma |
0.101 eV |
0.062 eV |
20.2% |
3.236 eV |
19.0 ppm |
|
$\mathrm{Mn_{2}O_{3}}$
anyt:am-1-0130
|
0.41, 0.40 |
Based on noncollinear |
Pbca |
0.101 eV |
0.084 eV |
20.6% |
0.946 eV |
950.0 ppm |
|
$\mathrm{Cu_{4}H_{6}BrO_{6}F}$
anyt:am-1-0131
|
0.294 |
Based on noncollinear |
Pnma |
0.100 eV |
0.072 eV |
21.1% |
1.714 eV |
2.4 ppm |
|
$\mathrm{NiTe_{2}O_{5}}$
anyt:am-1-0136
|
0.292 |
Based on noncollinear |
Pnma |
0.095 eV |
0.067 eV |
26.4% |
2.766 eV |
0.001 ppm |
|
$\mathrm{CsMn_{2}F_{6}}$
anyt:am-1-0140
|
0.726, 0.727 |
Based on noncollinear |
Pnma |
0.090 eV |
0.054 eV |
13.0% |
1.529 eV |
3.0 ppm |
|
$\mathrm{HoCrWO_{6}}$
anyt:am-1-0141
|
0.715, 0.716 |
Based on noncollinear |
Pna2_1 |
0.090 eV |
0.063 eV |
26.1% |
2.398 eV |
1.2 ppm |
|
$\mathrm{DyCrWO_{6}}$
anyt:am-1-0143
|
0.316 |
Based on noncollinear |
Pna2_1 |
0.086 eV |
0.059 eV |
26.7% |
1.912 eV |
1.2 ppm |
|
$\mathrm{Mn(PbO_{2})_{2}}$
anyt:am-1-0146
|
0.552 |
Based on noncollinear |
P-42_1c |
0.083 eV |
0.064 eV |
24.1% |
1.458 eV |
14.0 ppm |
|
$\mathrm{BaCuF_{4}}$
anyt:am-1-0147
|
0.191 |
Based on noncollinear |
Cmc2_1 |
0.083 eV |
0.039 eV |
22.2% |
2.208 eV |
60.0 ppm |
|
$\mathrm{CuB_{2}O_{4}}$
anyt:am-1-0148
|
0.431 |
Based on noncollinear |
I-42d |
0.081 eV |
0.052 eV |
21.0% |
2.137 eV |
10.0 ppm |
|
$\mathrm{BaCoSiO_{4}}$
anyt:am-1-0149
|
0.724 |
Based on noncollinear |
P6_3 |
0.079 eV |
0.054 eV |
25.0% |
3.079 eV |
25.0 ppm |
|
$\mathrm{Sr_{2}CoOsO_{6}}$
anyt:am-1-0154
|
0.210 |
Based on noncollinear |
C2/c |
0.073 eV |
0.043 eV |
23.6% |
0.000 eV |
0.002 ppm |
|
$\mathrm{CsMnBr_{3}}$
anyt:am-1-0155
|
1.0.35 |
Based on noncollinear |
P6_3/mmc |
0.071 eV |
0.057 eV |
26.9% |
3.828 eV |
2.4 ppm |
|
$\mathrm{Ca_{2}RuO_{4}}$
anyt:am-1-0160
|
0.398 |
Based on noncollinear |
Pbca |
0.067 eV |
0.041 eV |
18.1% |
0.664 eV |
0.001 ppm |
|
$\mathrm{Cu_{3}Mo_{2}O_{9}}$
anyt:am-1-0161
|
0.130 |
Based on noncollinear |
Pnma |
0.064 eV |
0.045 eV |
18.4% |
1.236 eV |
1.2 ppm |
|
$\mathrm{Mn_{3}B_{7}IO_{13}}$
anyt:am-1-0162
|
0.134 |
Based on noncollinear |
Pca2_1 |
0.063 eV |
0.043 eV |
18.8% |
4.319 eV |
0.450 ppm |
|
$\mathrm{CsNiC_{3}(SN)_{3}}$
anyt:am-1-0164
|
0.1014 |
Based on noncollinear |
P2_1/c |
0.060 eV |
0.037 eV |
14.2% |
2.844 eV |
3.0 ppm |
|
$\mathrm{MnH_{6}(CO_{2})_{3}}$
anyt:am-1-0166
|
0.1060 |
Based on noncollinear |
Pca2_1 |
0.059 eV |
0.043 eV |
19.3% |
3.660 eV |
200.0 ppm |
|
$\mathrm{Ba_{3}MnSb_{2}O_{9}}$
anyt:am-1-0167
|
1.0.46 |
Based on noncollinear |
C2/c |
0.057 eV |
0.045 eV |
9.8% |
2.075 eV |
0.200 ppm |
|
$\mathrm{Ba_{3}CoSb_{2}O_{9}}$
anyt:am-1-0172
|
1.0.44 |
Based on noncollinear |
P6_3/mmc |
0.044 eV |
0.038 eV |
24.8% |
2.439 eV |
0.200 ppm |
|
$\mathrm{Fe_{2}H_{6}(SeO_{4})_{3}}$
anyt:am-1-0173
|
0.1063 |
Based on noncollinear |
R3c |
0.043 eV |
0.040 eV |
14.7% |
n/a eV |
0.050 ppm |
|
$\mathrm{Eu(InAs)_{2}}$
anyt:am-1-0174
|
1.0.31, 1.0.32 |
Based on noncollinear |
P6_3/mmc |
0.041 eV |
0.026 eV |
2.1% |
n/a eV |
0.250 ppm |
|
$\mathrm{Na_{2}CoP_{2}O_{7}}$
anyt:am-1-0175
|
0.425 |
Based on noncollinear |
Pna2_1 |
0.040 eV |
0.032 eV |
15.8% |
3.327 eV |
25.0 ppm |
|
$\mathrm{Er_{5}(In_{2}Pd)_{2}}$
anyt:am-1-0176
|
0.849 |
Based on noncollinear |
Pbam |
0.036 eV |
0.021 eV |
2.5% |
0.000 eV |
0.015 ppm |
|
$\mathrm{BaCu(TeO_{3})_{2}}$
anyt:am-1-0177
|
0.658 |
Based on noncollinear |
P4_132 |
0.032 eV |
0.023 eV |
13.6% |
1.921 eV |
0.001 ppm |
|
$\mathrm{CsNiCl_{3}}$
anyt:am-1-0178
|
1.0.4 |
Based on noncollinear |
P6_3/mmc |
0.032 eV |
0.025 eV |
16.4% |
3.837 eV |
3.0 ppm |
|
$\mathrm{SrCu(TeO_{3})_{2}}$
anyt:am-1-0180
|
0.530 |
Based on noncollinear |
P4_132 |
0.026 eV |
0.019 eV |
5.1% |
1.974 eV |
0.001 ppm |
