# | CMD-ID | Formula | Spacegroup | Generic | Formation Energy [eV/atom] |
# of elements |
# of atoms |
Volume [Å3] |
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 |