CMD - Demo Results

186 stable ternary Materials

# CMD-ID Formula Spacegroup Generic Formation Energy
[eV/atom]
# of
elements
# of
atoms
Volume
3]
Link
1 181 Ni6TeN F-43m ABC6 -0.251 3 32 407.688 Click me
2 261 BaGeF6 F-43m ABC6 -3.731 3 32 559.908 Click me
3 339 BaCO6 F-43m ABC6 -1.901 3 32 551.454 Click me
4 409 TiRh6N F-43m ABC6 -0.594 3 32 470.17 Click me
5 418 BaRuF6 F-43m ABC6 -3.2 3 32 565.76 Click me
6 444 HgRh6O F-43m ABC6 0.134 3 32 505.322 Click me
7 557 HfRh6C F-43m ABC6 -0.029 3 32 488.701 Click me
8 709 Ni6HgN F-43m ABC6 -0.196 3 32 406.888 Click me
9 923 AlNi6N F-43m ABC6 -0.533 3 32 372.824 Click me
10 1026 CaSi6Mo F-43m ABC6 -0.056 3 32 613.013 Click me
11 1099 PbSO6 F-43m ABC6 -2.108 3 32 490.541 Click me
12 1186 HfIr6O F-43m ABC6 -0.082 3 32 512.202 Click me
13 1194 MnNbSi6 F-43m ABC6 0.025 3 32 500.035 Click me
14 1323 CaCO6 F-43m ABC6 -1.848 3 32 406.237 Click me
15 1458 RbVSi6 F-43m ABC6 0.36 3 32 656.532 Click me
16 1541 IrRh6O F-43m ABC6 0.064 3 32 477.061 Click me
17 1649 ZrSi6Ir F-43m ABC6 -0.137 3 32 564.697 Click me
18 1913 CaSi6Ru F-43m ABC6 -0.12 3 32 586.08 Click me
19 1926 CaCo6N F-43m ABC6 -0.055 3 32 395.056 Click me
20 1936 GaCo6N F-43m ABC6 -0.43 3 32 361.575 Click me
21 2034 NaMnSi6 F-43m ABC6 0.1 3 32 539.298 Click me
22 2037 ZrFeSi6 F-43m ABC6 -0.114 3 32 514.92 Click me
23 2041 NaFeSi6 F-43m ABC6 0.093 3 32 535.995 Click me
24 2080 Mn6AuS F-43m ABC6 0.496 3 32 448.364 Click me
25 2098 HfFeSi6 F-43m ABC6 -0.054 3 32 511.257 Click me
26 2143 CaFeSi6 F-43m ABC6 -0.034 3 32 547.645 Click me
27 2342 BeIrRh6 F-43m ABC6 0.378 3 32 482.223 Click me
28 2626 Li6AsN F-43m ABC6 -1.031 3 32 525.768 Click me
29 2790 RbSi6Tc F-43m ABC6 0.255 3 32 639.071 Click me
30 2998 Co6RhN F-43m ABC6 -0.298 3 32 364.138 Click me
31 3282 Co6TeO F-43m ABC6 0.076 3 32 395.402 Click me
32 3321 Co6RuN F-43m ABC6 -0.286 3 32 362.612 Click me
33 3341 YTiSi6 F-43m ABC6 -0.163 3 32 625.346 Click me
34 3431 MgNi6N F-43m ABC6 -0.366 3 32 383.824 Click me
35 3453 SrSi6W F-43m ABC6 0.063 3 32 636.26 Click me
36 3965 LiMnSi6 F-43m ABC6 0.01 3 32 515.831 Click me
37 4226 NbBIr6 F-43m ABC6 -0.067 3 32 497.775 Click me
38 4234 MnNi6N F-43m ABC6 -0.149 3 32 364.375 Click me
39 4274 HfCo6C F-43m ABC6 0.281 3 32 388.874 Click me
40 4302 Li6IrN F-43m ABC6 -0.682 3 32 471.271 Click me
41 4306 CoNi6N F-43m ABC6 -0.204 3 32 362.912 Click me
42 4394 Na6BiO F-43m ABC6 -0.9 3 32 950.8 Click me
43 4420 NbIr6C F-43m ABC6 0.085 3 32 491.796 Click me
44 4514 CsK6P F-43m ABC6 -0.021 3 32 2452.725 Click me
45 4520 ReNi6C F-43m ABC6 0.515 3 32 381.1 Click me
46 4593 KSi6Ru F-43m ABC6 0.113 3 32 607.699 Click me
47 4636 Rh6WO F-43m ABC6 0.005 3 32 480.93 Click me
48 4667 Na6SnO F-43m ABC6 -0.803 3 32 924.881 Click me
49 4757 BaClO6 F-43m ABC6 -2.066 3 32 548.325 Click me
50 4852 CsK6As F-43m ABC6 -0.069 3 32 2497.385 Click me
51 4870 YClO6 F-43m ABC6 -2.429 3 32 370.882 Click me
52 4883 Ni6IrN F-43m ABC6 -0.242 3 32 382.993 Click me
53 4886 KMnSi6 F-43m ABC6 0.259 3 32 579.377 Click me
54 5404 CaCrSi6 F-43m ABC6 0.012 3 32 571.2 Click me
55 5802 ZrRh6C F-43m ABC6 0.002 3 32 491.472 Click me
56 5833 TaIr6C F-43m ABC6 0.07 3 32 492.417 Click me
57 6160 AlCo6N F-43m ABC6 -0.496 3 32 359.409 Click me
58 6307 HfIr6C F-43m ABC6 -0.004 3 32 500.628 Click me
59 6313 BaSO6 F-43m ABC6 -2.704 3 32 555.671 Click me
60 6435 CsCrSi6 F-43m ABC6 0.591 3 32 670.702 Click me
61 6632 BaSi6Os F-43m ABC6 0.093 3 32 642.706 Click me
62 6733 MoRh6O F-43m ABC6 -0.001 3 32 480.805 Click me
63 6847 ZrCo6Cl F-43m ABC6 0.464 3 32 441.764 Click me
64 6865 InNi6C F-43m ABC6 0.359 3 32 403.044 Click me
65 6911 K6BaN F-43m ABC6 -0.311 3 32 2059.713 Click me
66 6943 Li6SbN F-43m ABC6 -1.045 3 32 589.831 Click me
67 6944 TlCo6P F-43m ABC6 0.549 3 32 453.019 Click me
68 7155 BeIr6Pt F-43m ABC6 0.432 3 32 500.381 Click me
69 7214 BaFeSi6 F-43m ABC6 0.205 3 32 621.418 Click me
70 7244 Ni6SnN F-43m ABC6 -0.368 3 32 403.34 Click me
71 7377 SrCuF6 F-43m ABC6 -2.785 3 32 466.932 Click me
72 7429 YRh6C F-43m ABC6 0.104 3 32 508.222 Click me
73 7470 NbIr6N F-43m ABC6 -0.459 3 32 491.715 Click me
74 7597 OsRu6Cl F-43m ABC6 0.773 3 32 515.491 Click me
75 7601 ZrIr6C F-43m ABC6 0.028 3 32 503.098 Click me
76 7810 NaReSi6 F-43m ABC6 0.082 3 32 585.722 Click me
77 7853 K6NaN F-43m ABC6 -0.432 3 32 1808.494 Click me
78 8055 BIr6W F-43m ABC6 0.077 3 32 490.632 Click me
79 8067 Na6PbO F-43m ABC6 -0.779 3 32 946.669 Click me
80 8069 CsNbSi6 F-43m ABC6 0.407 3 32 733.74 Click me
81 8137 TlGeCl6 F-43m ABC6 -1.318 3 32 996.323 Click me
82 8197 BeReIr6 F-43m ABC6 0.344 3 32 493.899 Click me
83 8242 Ni6PbN F-43m ABC6 -0.172 3 32 417.172 Click me
84 8318 SrCO6 F-43m ABC6 -1.892 3 32 467.471 Click me
85 8384 RuRh6O F-43m ABC6 0.098 3 32 474.402 Click me
86 8399 SrSi6Ru F-43m ABC6 -0.059 3 32 611.042 Click me
87 8665 RbTaSi6 F-43m ABC6 0.316 3 32 692.523 Click me
88 8953 TlSiCl6 F-43m ABC6 -1.511 3 32 969.332 Click me
89 9057 Fe6RhCl F-43m ABC6 0.722 3 32 417.829 Click me
90 9141 RbFeSi6 F-43m ABC6 0.386 3 32 600.031 Click me
91 9353 FeRh6O F-43m ABC6 0.16 3 32 462.118 Click me
92 9630 K6RbAs F-43m ABC6 -0.081 3 32 2421.059 Click me
93 9671 SrSO6 F-43m ABC6 -2.701 3 32 469.497 Click me
94 9761 CaCoSi6 F-43m ABC6 -0.018 3 32 554.719 Click me
95 9768 RbReSi6 F-43m ABC6 0.31 3 32 635.652 Click me
96 9887 BaRhF6 F-43m ABC6 -3.13 3 32 562.645 Click me
97 10045 FeCo6C F-43m ABC6 0.469 3 32 348.684 Click me
98 10056 Fe6RhS F-43m ABC6 0.536 3 32 416.008 Click me
99 10106 K6CaN F-43m ABC6 -0.337 3 32 1868.474 Click me
100 10152 Li6SnO F-43m ABC6 -1.16 3 32 570.612 Click me
101 10276 KReSi6 F-43m ABC6 0.19 3 32 614.69 Click me
102 10350 POsRu6 F-43m ABC6 0.505 3 32 516.48 Click me
103 10468 K6RbP F-43m ABC6 -0.038 3 32 2375.798 Click me
104 10489 Fe6RhN F-43m ABC6 -0.214 3 32 364.768 Click me
105 10520 TlSiBr6 F-43m ABC6 -0.533 3 32 1113.305 Click me
106 10629 NaSi6Os F-43m ABC6 0.047 3 32 581.639 Click me
107 10831 Li6BiAs F-43m ABC6 -0.294 3 32 750.527 Click me
108 11245 SrSi6Os F-43m ABC6 -0.017 3 32 610.864 Click me
109 11281 InCo6N F-43m ABC6 -0.235 3 32 387.957 Click me
110 11499 Al6WC F-43m ABC6 0.24 3 32 506.236 Click me
111 11500 YSi6W F-43m ABC6 -0.044 3 32 606.381 Click me
112 11692 ZrSi6Ru F-43m ABC6 -0.151 3 32 549.228 Click me
113 11770 YZrSi6 F-43m ABC6 -0.155 3 32 679.197 Click me
114 11839 SrFeSi6 F-43m ABC6 0.061 3 32 578.441 Click me
115 11850 Co6SbN F-43m ABC6 -0.33 3 32 386.845 Click me
116 11891 Li6BiP F-43m ABC6 -0.31 3 32 730.865 Click me
117 11933 ScRh6C F-43m ABC6 0.012 3 32 485.085 Click me
118 11987 SrSi6Mo F-43m ABC6 -0.007 3 32 638.409 Click me
119 12083 BaSi6Mo F-43m ABC6 0.099 3 32 675.426 Click me
120 12122 BaNiF6 F-43m ABC6 -3.108 3 32 536.76 Click me
121 12127 Li6BiN F-43m ABC6 -1.034 3 32 621.4 Click me
122 12151 RbNbSi6 F-43m ABC6 0.272 3 32 699.486 Click me
123 12213 Fe6CoN F-43m ABC6 -0.201 3 32 347.773 Click me
124 12501 Ir6WC F-43m ABC6 0.232 3 32 484.964 Click me
125 12691 BePtRh6 F-43m ABC6 0.354 3 32 487.809 Click me
126 12716 KVSi6 F-43m ABC6 0.245 3 32 627.554 Click me
127 12875 Ni6MoC F-43m ABC6 0.466 3 32 384.974 Click me
128 12901 NbReSi6 F-43m ABC6 0.13 3 32 545.72 Click me
129 12931 BaPdF6 F-43m ABC6 -3.047 3 32 566.391 Click me
130 13004 ZrIr6O F-43m ABC6 -0.054 3 32 515.221 Click me
131 13026 ScReSi6 F-43m ABC6 -0.06 3 32 567.965 Click me
132 13039 TiTlCl6 F-43m ABC6 -1.822 3 32 994.407 Click me
133 13054 Fe6PtN F-43m ABC6 -0.25 3 32 371.005 Click me
134 13073 AlRe6N F-43m ABC6 -0.179 3 32 489.589 Click me
135 13105 HfSi6Ir F-43m ABC6 -0.065 3 32 560.87 Click me
136 13118 CaPO6 F-43m ABC6 -2.89 3 32 426.386 Click me
137 13147 BaCuF6 F-43m ABC6 -2.811 3 32 535.631 Click me
138 13205 Ni6BiC F-43m ABC6 0.475 3 32 420.973 Click me
139 13382 Zn6IrN F-43m ABC6 -0.592 3 32 481.538 Click me
140 13690 Co6IrN F-43m ABC6 -0.34 3 32 366.505 Click me
141 13793 Fe6PtCl F-43m ABC6 0.678 3 32 423.808 Click me
142 13862 Rb6TcO6 Fm-3m AB6C6 -2.372 3 52 1211.758 Click me
143 13872 Cs6RuO6 Fm-3m AB6C6 -2.127 3 52 1360.429 Click me
144 13897 Cs6ReS6 Fm-3m AB6C6 -0.634 3 52 2263.026 Click me
145 13924 Cs6SO6 Fm-3m AB6C6 -1.985 3 52 1326.584 Click me
146 13950 K6OsS6 Fm-3m AB6C6 -0.584 3 52 1799.137 Click me
147 13951 Hf6CrN6 Fm-3m AB6C6 -3.478 3 52 697.181 Click me
148 13954 Mg6RhO6 Fm-3m AB6C6 -2.824 3 52 624.532 Click me
149 13979 Na6RuO6 Fm-3m AB6C6 -2.306 3 52 780.618 Click me
150 13997 Na6WO6 Fm-3m AB6C6 -2.787 3 52 793.208 Click me
151 14024 Li6SO6 Fm-3m AB6C6 -2.743 3 52 492.378 Click me
152 14040 K6SeO6 Fm-3m AB6C6 -2.192 3 52 1074.277 Click me
153 14046 Mg6FeO6 Fm-3m AB6C6 -2.9 3 52 600.486 Click me
154 14065 Cs6PtO6 Fm-3m AB6C6 -1.953 3 52 1364.269 Click me
155 14069 Nb6TeN6 Fm-3m AB6C6 -2.856 3 52 681.056 Click me
156 14071 Rb6Te6S Fm-3m AB6C6 -0.39 3 52 2903.438 Click me
157 14087 Sr6SeN6 Fm-3m AB6C6 -2.134 3 52 1079.747 Click me
158 14094 Hf6MnN6 Fm-3m AB6C6 -3.425 3 52 694.677 Click me
159 14129 K6OsO6 Fm-3m AB6C6 -2.272 3 52 1050.158 Click me
160 14134 K6Se6Cl Fm-3m AB6C6 -0.442 3 52 2153.691 Click me
161 14135 Rb6IrO6 Fm-3m AB6C6 -2.089 3 52 1207.317 Click me
162 14165 Cs6TcO6 Fm-3m AB6C6 -2.358 3 52 1383.726 Click me
163 14181 Rb6ReS6 Fm-3m AB6C6 -0.635 3 52 2019.55 Click me
164 14188 K6WO6 Fm-3m AB6C6 -2.708 3 52 1045.82 Click me
165 14213 Li6N6Cl Fm-3m AB6C6 -1.752 3 52 567.95 Click me
166 14229 K6FeO6 Fm-3m AB6C6 -2.061 3 52 1013.882 Click me
167 14230 K6SO6 Fm-3m AB6C6 -2.173 3 52 1036.236 Click me
168 14233 Fe6N6Cl Fm-3m AB6C6 -1.799 3 52 467.393 Click me
169 14254 Na6IrO6 Fm-3m AB6C6 -2.265 3 52 795.345 Click me
170 14255 Li6SeO6 Fm-3m AB6C6 -2.676 3 52 532.687 Click me
171 14256 Cs6IrO6 Fm-3m AB6C6 -2.061 3 52 1366.999 Click me
172 14262 Na6MoO6 Fm-3m AB6C6 -2.729 3 52 800.283 Click me
173 14267 Cs6ReO6 Fm-3m AB6C6 -2.444 3 52 1402.266 Click me
174 14298 Al6N6Cl Fm-3m AB6C6 -2.352 3 52 545.203 Click me
175 14305 Sb6IrCl6 Fm-3m AB6C6 -0.735 3 52 1564.238 Click me
176 14321 K6TcO6 Fm-3m AB6C6 -2.407 3 52 1036.186 Click me
177 14328 Mg6PtO6 Fm-3m AB6C6 -2.747 3 52 645.568 Click me
178 14329 V6S6Cl Fm-3m AB6C6 -0.651 3 52 807.553 Click me
179 14364 Na6TcO6 Fm-3m AB6C6 -2.5 3 52 788.815 Click me
180 14373 Mg6SN6 Fm-3m AB6C6 -2.384 3 52 625.04 Click me
181 14374 Rb6S6Cl Fm-3m AB6C6 -0.302 3 52 2128.403 Click me
182 14404 Na6SeO6 Fm-3m AB6C6 -2.325 3 52 760.621 Click me
183 14412 Rb6Te6Se Fm-3m AB6C6 -0.447 3 52 2958.911 Click me
184 37355 Mg2GaIr P63/mmc ABC2 -0.437 3 8 142.115 Click me
185 37840 SrYO6 Pm-3 ABC6 -3.62 3 8 98.272 Click me
186 37937 ZnTe2S6 R-3 AB2C6 0.266 3 27 529.733 Click me