|
$\mathrm{CrSb}$
anyt:am-1-0001
|
0.528 |
Collinear |
P6_3/mmc |
1.872 eV |
0.763 eV |
34.4% |
0.000 eV |
0.200 ppm |
|
$\mathrm{MnTe}$
anyt:am-1-0002
|
0.800 |
Collinear |
P6_3/mmc |
0.923 eV |
0.449 eV |
34.4% |
0.764 eV |
0.001 ppm |
|
$\mathrm{RuO_{2}}$
anyt:am-1-0003
|
0.607 |
Collinear |
P4_2/mnm |
0.865 eV |
0.351 eV |
25.0% |
0.000 eV |
0.001 ppm |
|
$\mathrm{UCr_{2}Si_{2}C}$
anyt:am-1-0005
|
0.499 |
Collinear |
P4/mmm |
0.719 eV |
0.312 eV |
46.9% |
0.000 eV |
2.7 ppm |
|
$\mathrm{CoF_{2}}$
anyt:am-1-0008
|
0.178 |
Collinear |
P4_2/mnm |
0.479 eV |
0.223 eV |
16.7% |
3.306 eV |
25.0 ppm |
|
$\mathrm{Mn(C_{2}N_{3})_{2}}$
anyt:am-1-0011
|
0.131 |
Collinear |
Pnnm |
0.348 eV |
0.156 eV |
16.2% |
3.742 eV |
19.0 ppm |
|
$\mathrm{LiFe_{2}F_{6}}$
anyt:am-1-0012
|
0.501 |
Collinear |
P4_2/mnm |
0.319 eV |
0.159 eV |
12.5% |
0.168 eV |
20.0 ppm |
|
$\mathrm{MnGeN_{2}}$
anyt:am-1-0013
|
0.1065 |
Collinear |
Pna2_1 |
0.305 eV |
0.145 eV |
14.6% |
1.516 eV |
1.5 ppm |
|
$\mathrm{NiCO_{3}}$
anyt:am-1-0014
|
0.113 |
Collinear |
R-3c |
0.301 eV |
0.167 eV |
20.8% |
4.197 eV |
84.0 ppm |
|
$\mathrm{FeSO_{4}F}$
anyt:am-1-0015
|
0.128 |
Collinear |
C2/c |
0.301 eV |
0.158 eV |
28.9% |
2.451 eV |
350.0 ppm |
|
$\mathrm{MnF_{2}}$
anyt:am-1-0016
|
0.15 |
Collinear |
P4_2/mnm |
0.294 eV |
0.156 eV |
18.8% |
3.575 eV |
585.0 ppm |
|
$\mathrm{CrVO_{4}}$
anyt:am-1-0017
|
1.522 |
Collinear |
Cmcm |
0.292 eV |
0.158 eV |
28.6% |
2.877 eV |
102.0 ppm |
|
$\mathrm{Sr_{4}Fe_{4}O_{11}}$
anyt:am-1-0018
|
0.402 |
Collinear |
Cmmm |
0.289 eV |
0.150 eV |
29.8% |
0.176 eV |
370.0 ppm |
|
$\mathrm{TbFeO_{3}}$
anyt:am-1-0021
|
0.351 |
Collinear |
Pnma |
0.271 eV |
0.133 eV |
26.8% |
2.826 eV |
1.2 ppm |
|
$\mathrm{Er_{2}Ru_{2}O_{7}}$
anyt:am-1-0023
|
0.154 |
Collinear |
Fd-3m |
0.268 eV |
0.266 eV |
20.3% |
0.412 eV |
0.001 ppm |
|
$\mathrm{FeBO_{3}}$
anyt:am-1-0024
|
0.112 |
Collinear |
R-3c |
0.262 eV |
0.177 eV |
29.7% |
2.660 eV |
10.0 ppm |
|
$\mathrm{TlCrO_{3}}$
anyt:am-1-0026
|
0.309 |
Collinear |
Pnma |
0.246 eV |
0.146 eV |
24.1% |
0.625 eV |
0.850 ppm |
|
$\mathrm{FeHSO_{5}}$
anyt:am-1-0029
|
0.760 |
Collinear |
C2/c |
0.241 eV |
0.156 eV |
26.6% |
2.625 eV |
350.0 ppm |
|
$\mathrm{Fe_{2}O_{3}}$
anyt:am-1-0031
|
0.66, 0.65 |
Collinear |
R-3c |
0.237 eV |
0.152 eV |
29.0% |
2.566 eV |
56,300 ppm |
|
$\mathrm{CrInO_{3}}$
anyt:am-1-0033
|
0.308 |
Collinear |
Pnma |
0.232 eV |
0.132 eV |
20.5% |
1.886 eV |
0.250 ppm |
|
$\mathrm{ScCrO_{3}}$
anyt:am-1-0035
|
0.307 |
Collinear |
Pnma |
0.227 eV |
0.127 eV |
20.5% |
2.987 eV |
22.0 ppm |
|
$\mathrm{Sr_{2}TbIrO_{6}}$
anyt:am-1-0036
|
0.475 |
Collinear |
P2_1/c |
0.226 eV |
0.114 eV |
27.1% |
0.139 eV |
0.001 ppm |
|
$\mathrm{YCrO_{3}}$
anyt:am-1-0038
|
0.586, 0.947 |
Collinear |
Pnma |
0.221 eV |
0.115 eV |
21.4% |
3.121 eV |
33.0 ppm |
|
$\mathrm{SmFeO_{3}}$
anyt:am-1-0039
|
0.379 |
Collinear |
Pnma |
0.215 eV |
0.124 eV |
27.7% |
2.843 eV |
7.0 ppm |
|
$\mathrm{FeNiPO_{5}}$
anyt:am-1-0040
|
0.261 |
Collinear |
Pnma |
0.207 eV |
0.121 eV |
24.4% |
2.694 eV |
84.0 ppm |
|
$\mathrm{TmCrO_{3}}$
anyt:am-1-0043
|
0.587 |
Collinear |
Pnma |
0.202 eV |
0.117 eV |
25.0% |
3.141 eV |
0.520 ppm |
|
$\mathrm{TmVO_{3}}$
anyt:am-1-0044
|
0.983, 0.982 |
Collinear |
P2_1/c |
0.200 eV |
0.100 eV |
18.8% |
1.739 eV |
0.520 ppm |
|
$\mathrm{Fe_{3}P_{2}(HO_{5})_{2}}$
anyt:am-1-0045
|
0.392 |
Collinear |
P2_1/c |
0.197 eV |
0.126 eV |
23.6% |
2.051 eV |
1,050 ppm |
|
$\mathrm{PrFeO_{3}}$
anyt:am-1-0046
|
0.1085 |
Collinear |
Pnma |
0.197 eV |
0.120 eV |
28.6% |
2.822 eV |
9.2 ppm |
|
$\mathrm{CuFePO_{5}}$
anyt:am-1-0047
|
0.260 |
Collinear |
Pnma |
0.194 eV |
0.119 eV |
27.5% |
1.954 eV |
60.0 ppm |
|
$\mathrm{NaOsO_{3}}$
anyt:am-1-0048
|
0.25 |
Collinear |
Pnma |
0.193 eV |
0.082 eV |
22.9% |
0.119 eV |
0.002 ppm |
|
$\mathrm{Fe_{2}SiO_{4}}$
anyt:am-1-0050
|
0.1071 |
Collinear |
Pnma |
0.192 eV |
0.132 eV |
17.4% |
2.940 eV |
56,300 ppm |
|
$\mathrm{LaMnO_{3}}$
anyt:am-1-0051
|
0.642, 0.1 |
Collinear |
Pnma |
0.188 eV |
0.106 eV |
20.5% |
1.283 eV |
39.0 ppm |
|
$\mathrm{CoCO_{3}}$
anyt:am-1-0053
|
0.114 |
Collinear |
R-3c |
0.188 eV |
0.125 eV |
25.0% |
2.766 eV |
25.0 ppm |
|
$\mathrm{TmFeO_{3}}$
anyt:am-1-0054
|
0.1021, 0.1022 |
Collinear |
Pnma |
0.188 eV |
0.124 eV |
22.3% |
0.762 eV |
0.520 ppm |
|
$\mathrm{CrNiO_{4}}$
anyt:am-1-0056
|
0.896 |
Collinear |
Cmcm |
0.186 eV |
0.109 eV |
31.2% |
2.000 eV |
84.0 ppm |
|
$\mathrm{ZrMn_{2}(GeO_{3})_{4}}$
anyt:am-1-0057
|
0.315 |
Collinear |
P4/nbm |
0.184 eV |
0.105 eV |
14.4% |
2.309 eV |
1.5 ppm |
|
$\mathrm{LaCrO_{3}}$
anyt:am-1-0058
|
0.323, 0.417 |
Collinear |
Pnma |
0.182 eV |
0.097 eV |
20.5% |
3.105 eV |
39.0 ppm |
|
$\mathrm{MnSe_{2}}$
anyt:am-1-0059
|
1.0.47 |
Collinear |
Pa-3 |
0.178 eV |
0.133 eV |
45.8% |
0.983 eV |
0.050 ppm |
|
$\mathrm{PrMnO_{3}}$
anyt:am-1-0060
|
0.608 |
Collinear |
Pnma |
0.176 eV |
0.107 eV |
21.4% |
0.896 eV |
9.2 ppm |
|
$\mathrm{TiMnO_{3}}$
anyt:am-1-0062
|
0.50 |
Collinear |
R3c |
0.173 eV |
0.101 eV |
25.0% |
2.470 eV |
950.0 ppm |
|
$\mathrm{NiPbO_{3}}$
anyt:am-1-0063
|
0.21 |
Collinear |
R3c |
0.170 eV |
0.111 eV |
26.1% |
0.561 eV |
14.0 ppm |
|
$\mathrm{MnCO_{3}}$
anyt:am-1-0070
|
0.115 |
Collinear |
R-3c |
0.161 eV |
0.112 eV |
19.5% |
4.015 eV |
200.0 ppm |
|
$\mathrm{Nb_{3}VS_{6}}$
anyt:am-1-0071
|
0.712 |
Collinear |
P6_322 |
0.161 eV |
0.057 eV |
31.2% |
0.000 eV |
20.0 ppm |
|
$\mathrm{Li_{2}Ni(SO_{4})_{2}}$
anyt:am-1-0073
|
0.714 |
Collinear |
P2_1/c |
0.158 eV |
0.077 eV |
20.5% |
4.565 eV |
20.0 ppm |
|
$\mathrm{FeCO_{3}}$
anyt:am-1-0075
|
0.116 |
Collinear |
R-3c |
0.157 eV |
0.110 eV |
17.4% |
3.688 eV |
200.0 ppm |
|
$\mathrm{Ba_{3}CoIr_{2}O_{9}}$
anyt:am-1-0076
|
0.747 |
Collinear |
C2/c |
0.156 eV |
0.124 eV |
29.2% |
n/a eV |
0.001 ppm |
|
$\mathrm{CoF_{3}}$
anyt:am-1-0077
|
0.334 |
Collinear |
R-3c |
0.155 eV |
0.095 eV |
31.2% |
1.825 eV |
25.0 ppm |
|
$\mathrm{Sr_{2}CoTeO_{6}}$
anyt:am-1-0078
|
0.937, 0.301 |
Collinear |
P2_1/c |
0.155 eV |
0.088 eV |
29.2% |
2.154 eV |
0.001 ppm |
|
$\mathrm{CoTa_{4}Se_{8}}$
anyt:am-1-0079
|
0.1036 |
Collinear |
P6_3/mmc |
0.154 eV |
0.126 eV |
36.7% |
0.000 eV |
0.050 ppm |
|
$\mathrm{ZnFeH_{4}O_{2}F_{5}}$
anyt:am-1-0080
|
0.575 |
Collinear |
Imm2 |
0.154 eV |
0.074 eV |
23.4% |
3.124 eV |
70.0 ppm |
|
$\mathrm{LuVO_{3}}$
anyt:am-1-0081
|
0.984 |
Collinear |
Pnma |
0.153 eV |
0.073 eV |
18.8% |
1.991 eV |
0.800 ppm |
|
$\mathrm{RbCoBr_{3}}$
anyt:am-1-0082
|
1.0.26 |
Collinear |
P6_3/mmc |
0.150 eV |
0.100 eV |
24.4% |
0.000 eV |
2.4 ppm |
|
$\mathrm{CeMn_{2}Ge_{4}O_{12}}$
anyt:am-1-0083
|
0.189 |
Collinear |
P4/nbm |
0.149 eV |
0.117 eV |
18.3% |
0.000 eV |
1.5 ppm |
|
$\mathrm{LiLa_{2}RuO_{6}}$
anyt:am-1-0087
|
0.148 |
Collinear |
P2_1/c |
0.142 eV |
0.093 eV |
26.0% |
1.220 eV |
0.001 ppm |
|
$\mathrm{Mn_{2}SeO_{3}F_{2}}$
anyt:am-1-0088
|
0.755 |
Collinear |
Pnma |
0.141 eV |
0.095 eV |
21.2% |
3.889 eV |
0.050 ppm |
|
$\mathrm{FeF_{3}}$
anyt:am-1-0089
|
0.581, 0.335 |
Collinear |
R-3c |
0.141 eV |
0.094 eV |
32.8% |
4.342 eV |
585.0 ppm |
|
$\mathrm{Mn_{4}Nb_{2}O_{9}}$
anyt:am-1-0090
|
0.722 |
Collinear |
Cc |
0.140 eV |
0.078 eV |
21.2% |
1.270 eV |
20.0 ppm |
|
$\mathrm{Ce_{4}Sb_{3}}$
anyt:am-1-0091
|
0.681 |
Collinear |
I-43d |
0.139 eV |
0.058 eV |
47.5% |
0.000 eV |
0.200 ppm |
|
$\mathrm{Sr_{2}DyRuO_{6}}$
anyt:am-1-0092
|
0.790 |
Collinear |
P2_1/c |
0.138 eV |
0.081 eV |
23.2% |
1.114 eV |
0.001 ppm |
|
$\mathrm{YRuO_{3}}$
anyt:am-1-0093
|
0.513 |
Collinear |
Pnma |
0.138 eV |
0.067 eV |
18.8% |
0.569 eV |
0.001 ppm |
|
$\mathrm{LiFeP_{2}O_{7}}$
anyt:am-1-0095
|
0.83 |
Collinear |
P2_1 |
0.136 eV |
0.085 eV |
22.9% |
2.958 eV |
20.0 ppm |
|
$\mathrm{Sr_{2}ErRuO_{6}}$
anyt:am-1-0096
|
0.1008 |
Collinear |
P2_1/c |
0.134 eV |
0.075 eV |
22.3% |
1.009 eV |
0.001 ppm |
|
$\mathrm{Sr_{2}YRuO_{6}}$
anyt:am-1-0097
|
0.795 |
Collinear |
P2_1/c |
0.134 eV |
0.075 eV |
22.3% |
1.012 eV |
0.001 ppm |
|
$\mathrm{Fe_{2}PO_{5}}$
anyt:am-1-0098
|
0.263 |
Collinear |
Pnma |
0.134 eV |
0.102 eV |
22.5% |
2.086 eV |
1,050 ppm |
|
$\mathrm{BaPrMn_{2}O_{6}}$
anyt:am-1-0102
|
0.1059 |
Collinear |
Pmc2_1 |
0.132 eV |
0.054 eV |
23.2% |
0.000 eV |
9.2 ppm |
|
$\mathrm{Sr_{2}TmRuO_{6}}$
anyt:am-1-0105
|
0.671 |
Collinear |
P2_1/c |
0.129 eV |
0.070 eV |
22.3% |
0.978 eV |
0.001 ppm |
|
$\mathrm{Y_{2}Cu_{2}O_{5}}$
anyt:am-1-0108
|
0.241 |
Collinear |
Pna2_1 |
0.127 eV |
0.070 eV |
21.6% |
1.704 eV |
33.0 ppm |
|
$\mathrm{LaCrO_{3}}$
anyt:am-1-0109
|
0.416 |
Collinear |
R-3c |
0.124 eV |
0.098 eV |
19.4% |
3.194 eV |
39.0 ppm |
|
$\mathrm{La_{2}NiO_{4}}$
anyt:am-1-0112
|
0.45 |
Collinear |
P4_2/ncm |
0.121 eV |
0.076 eV |
24.4% |
2.313 eV |
39.0 ppm |
|
$\mathrm{YVO_{3}}$
anyt:am-1-0113
|
0.787 |
Collinear |
Pnma |
0.120 eV |
0.061 eV |
19.8% |
2.037 eV |
33.0 ppm |
|
$\mathrm{Sr_{2}NiTeO_{6}}$
anyt:am-1-0115
|
0.934 |
Collinear |
P2_1/c |
0.119 eV |
0.053 eV |
28.1% |
2.343 eV |
0.001 ppm |
|
$\mathrm{Sr_{2}LuRuO_{6}}$
anyt:am-1-0116
|
0.420 |
Collinear |
P2_1/c |
0.119 eV |
0.078 eV |
21.4% |
0.958 eV |
0.001 ppm |
|
$\mathrm{Ca_{2}Fe_{2}O_{5}}$
anyt:am-1-0118
|
0.1080 |
Collinear |
Pnma |
0.116 eV |
0.080 eV |
22.9% |
1.373 eV |
41,500 ppm |
|
$\mathrm{CrNb_{4}S_{8}}$
anyt:am-1-0119
|
0.708 |
Collinear |
P6_3/mmc |
0.112 eV |
0.056 eV |
37.5% |
0.000 eV |
20.0 ppm |
|
$\mathrm{CuFeS_{2}}$
anyt:am-1-0123
|
0.802 |
Collinear |
I-42d |
0.105 eV |
0.081 eV |
28.6% |
1.043 eV |
60.0 ppm |
|
$\mathrm{LuCrWO_{6}}$
anyt:am-1-0124
|
0.1082 |
Collinear |
Pna2_1 |
0.104 eV |
0.067 eV |
26.1% |
2.347 eV |
0.800 ppm |
|
$\mathrm{Ba_{3}NiRu_{2}O_{9}}$
anyt:am-1-0125
|
0.748 |
Collinear |
P6_3/mmc |
0.104 eV |
0.071 eV |
19.4% |
1.062 eV |
0.001 ppm |
|
$\mathrm{BaMnO_{3}}$
anyt:am-1-0127
|
1.0.39 |
Collinear |
P6_3/mmc |
0.103 eV |
0.061 eV |
26.2% |
2.613 eV |
425.0 ppm |
|
$\mathrm{Sr_{2}MnTeO_{6}}$
anyt:am-1-0128
|
0.936 |
Collinear |
P2_1/c |
0.103 eV |
0.060 eV |
20.8% |
1.792 eV |
0.001 ppm |
|
$\mathrm{Ba_{2}MnSi_{2}O_{7}}$
anyt:am-1-0132
|
0.229 |
Collinear |
P-42_1m |
0.098 eV |
0.062 eV |
15.2% |
3.349 eV |
425.0 ppm |
|
$\mathrm{CaIrO_{3}}$
anyt:am-1-0133
|
0.79 |
Collinear |
Cmcm |
0.096 eV |
0.066 eV |
29.2% |
0.038 eV |
0.001 ppm |
|
$\mathrm{SrMnO_{3}}$
anyt:am-1-0134
|
0.1018, 0.1019 |
Collinear |
C222_1 |
0.095 eV |
0.063 eV |
25.5% |
1.873 eV |
370.0 ppm |
|
$\mathrm{BaMn_{2}V_{2}O_{8}}$
anyt:am-1-0135
|
0.967 |
Collinear |
I4_1cd |
0.095 eV |
0.064 eV |
25.8% |
2.087 eV |
120.0 ppm |
|
$\mathrm{Sr_{2}ScOsO_{6}}$
anyt:am-1-0137
|
0.917 |
Collinear |
P2_1/c |
0.094 eV |
0.045 eV |
17.0% |
0.000 eV |
0.002 ppm |
|
$\mathrm{Ba_{2}NdRuO_{6}}$
anyt:am-1-0139
|
0.1013 |
Collinear |
P2_1/c |
0.092 eV |
0.042 eV |
25.9% |
1.026 eV |
0.001 ppm |
|
$\mathrm{NaSr_{3}RuO_{6}}$
anyt:am-1-0142
|
0.404 |
Collinear |
R-3c |
0.089 eV |
0.064 eV |
25.6% |
1.564 eV |
0.001 ppm |
|
$\mathrm{Sr_{3}LiRuO_{6}}$
anyt:am-1-0144
|
0.361 |
Collinear |
R-3c |
0.086 eV |
0.067 eV |
24.1% |
1.553 eV |
0.001 ppm |
|
$\mathrm{K_{2}ReI_{6}}$
anyt:am-1-0145
|
0.434, 0.553 |
Collinear |
P2_1/c |
0.084 eV |
0.043 eV |
34.4% |
1.483 eV |
0.001 ppm |
|
$\mathrm{RbMnF_{4}}$
anyt:am-1-0150
|
0.329 |
Collinear |
P2_1/c |
0.076 eV |
0.040 eV |
17.2% |
1.926 eV |
90.0 ppm |
|
$\mathrm{SrMn_{2}V_{2}O_{8}}$
anyt:am-1-0151
|
0.62 |
Collinear |
I4_1cd |
0.076 eV |
0.054 eV |
24.2% |
2.760 eV |
120.0 ppm |
|
$\mathrm{LiCa_{3}RuO_{6}}$
anyt:am-1-0152
|
0.239 |
Collinear |
R-3c |
0.074 eV |
0.062 eV |
26.0% |
1.495 eV |
0.001 ppm |
|
$\mathrm{Na_{2}MnH_{8}(C_{3}O_{5})_{2}}$
anyt:am-1-0153
|
0.955 |
Collinear |
Pbca |
0.073 eV |
0.053 eV |
15.5% |
3.726 eV |
200.0 ppm |
|
$\mathrm{Fe_{2}Mo_{3}O_{8}}$
anyt:am-1-0156
|
0.331 |
Collinear |
P6_3mc |
0.069 eV |
0.042 eV |
17.4% |
0.000 eV |
1.2 ppm |
|
$\mathrm{CsCoCl_{3}}$
anyt:am-1-0157
|
1.0.9, 1.0.38 |
Collinear |
P6_3/mmc |
0.069 eV |
0.054 eV |
18.8% |
0.000 eV |
3.0 ppm |
|
$\mathrm{LiCa_{3}OsO_{6}}$
anyt:am-1-0158
|
0.3 |
Collinear |
R-3c |
0.068 eV |
0.060 eV |
17.0% |
0.813 eV |
0.002 ppm |
|
$\mathrm{Ba_{2}CoGe_{2}O_{7}}$
anyt:am-1-0159
|
0.56 |
Collinear |
P-42_1m |
0.068 eV |
0.047 eV |
18.0% |
2.592 eV |
1.5 ppm |
|
$\mathrm{Ca_{3}MnCoO_{6}}$
anyt:am-1-0163
|
0.13 |
Collinear |
R-3c |
0.063 eV |
0.051 eV |
18.8% |
2.003 eV |
25.0 ppm |
|
$\mathrm{CsCoF_{4}}$
anyt:am-1-0165
|
0.405 |
Collinear |
I-4c2 |
0.059 eV |
0.045 eV |
28.2% |
0.053 eV |
3.0 ppm |
|
$\mathrm{UGaNi}$
anyt:am-1-0168
|
2.88 |
Collinear |
P-62m |
0.057 eV |
0.028 eV |
2.4% |
0.000 eV |
2.7 ppm |
|
$\mathrm{Co_{2}Mo_{3}O_{8}}$
anyt:am-1-0169
|
0.332 |
Collinear |
P6_3mc |
0.057 eV |
0.035 eV |
20.1% |
0.000 eV |
1.2 ppm |
|
$\mathrm{CuH_{9}C_{4}(NO_{2})_{3}}$
anyt:am-1-0170
|
0.254, 0.255 |
Collinear |
Pna2_1 |
0.056 eV |
0.034 eV |
17.5% |
2.201 eV |
19.0 ppm |
|
$\mathrm{BaCrF_{5}}$
anyt:am-1-0171
|
0.303 |
Collinear |
P2_12_12_1 |
0.049 eV |
0.030 eV |
23.6% |
4.241 eV |
102.0 ppm |
|
$\mathrm{CrH_{4}NF_{3}}$
anyt:am-1-0179
|
0.1090 |
Collinear |
P4_2/mbc |
0.032 eV |
0.017 eV |
1.4% |
2.835 eV |
19.0 ppm |