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{
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{
"id": "mp-19954",
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"structure_string": "Al16 Cr10\n1.0\n4.536311 -6.441984 0.000000\n4.536311 6.441984 0.000000\n-4.611908 0.000000 6.388081\nAl Cr\n16 10\ndirect\n0.303545 0.303545 0.303545 Al\n0.353437 0.997956 0.353437 Al\n0.353437 0.353437 0.997956 Al\n0.997956 0.353437 0.353437 Al\n0.663477 0.441431 0.663477 Al\n0.663477 0.663477 0.441431 Al\n0.441431 0.663477 0.663477 Al\n0.265229 0.616378 0.265229 Al\n0.265229 0.265229 0.616378 Al\n0.616378 0.265229 0.265229 Al\n0.719203 0.333255 0.961947 Al\n0.961947 0.719203 0.333255 Al\n0.333255 0.961947 0.719203 Al\n0.333255 0.719203 0.961947 Al\n0.961947 0.333255 0.719203 Al\n0.719203 0.961947 0.333255 Al\n0.848876 0.848876 0.848876 Cr\n0.984657 0.202734 0.984657 Cr\n0.984657 0.984657 0.202734 Cr\n0.202734 0.984657 0.984657 Cr\n0.012172 0.666310 0.012172 Cr\n0.012172 0.012172 0.666310 Cr\n0.666310 0.012172 0.012172 Cr\n0.634977 0.984068 0.634977 Cr\n0.634977 0.634977 0.984068 Cr\n0.984068 0.634977 0.634977 Cr\n",
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},
{
"id": "mp-1193259",
"created_at": "2022-09-04T14:43:21.897107Z",
"structure_string": "Al16 Fe10\n1.0\n-4.407462 4.407462 4.407462\n4.407462 -4.407462 4.407462\n4.407462 4.407462 -4.407462\nAl Fe\n16 10\ndirect\n0.211541 0.000000 0.000000 Al\n0.000000 0.211541 0.000000 Al\n0.000000 0.000000 0.211541 Al\n0.788459 0.788459 0.788459 Al\n0.349315 0.727452 0.000000 Al\n0.621863 0.272548 0.272548 Al\n0.349315 0.000000 0.727452 Al\n0.727452 0.349315 0.000000 Al\n0.000000 0.349315 0.727452 Al\n0.272548 0.621863 0.272548 Al\n0.272548 0.272548 0.621863 Al\n0.000000 0.727452 0.349315 Al\n0.727452 0.000000 0.349315 Al\n0.650685 0.650685 0.378137 Al\n0.378137 0.650685 0.650685 Al\n0.650685 0.378137 0.650685 Al\n0.662481 0.000000 0.000000 Fe\n0.000000 0.662481 0.000000 Fe\n0.000000 0.000000 0.662481 Fe\n0.337519 0.337519 0.337519 Fe\n0.000000 0.640169 0.640169 Fe\n0.359831 0.000000 0.359831 Fe\n0.359831 0.359831 0.000000 Fe\n0.000000 0.359831 0.359831 Fe\n0.640169 0.000000 0.640169 Fe\n0.640169 0.640169 0.000000 Fe\n",
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"elements": [
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],
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"formula_full": "Al16 Fe10",
"formula_reduced": "Al8Fe5",
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"updated_at": "2021-11-28T01:36:20.614000Z",
"spacegroup": 217
},
{
"id": "mp-2733",
"created_at": "2022-09-04T14:41:11.838589Z",
"structure_string": "Al8 Mo3\n1.0\n1.827115 4.616216 0.000000\n-1.827115 4.616216 0.000000\n0.000000 1.880255 9.908772\nAl Mo\n8 3\ndirect\n0.727682 0.727682 0.909820 Al\n0.272318 0.272318 0.090180 Al\n0.539837 0.539837 0.179147 Al\n0.460163 0.460163 0.820853 Al\n0.813460 0.813460 0.277881 Al\n0.186540 0.186540 0.722119 Al\n0.631805 0.631805 0.541703 Al\n0.368195 0.368195 0.458297 Al\n0.000000 0.000000 0.000000 Mo\n0.905411 0.905411 0.659461 Mo\n0.094589 0.094589 0.340539 Mo\n",
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"elements": [
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],
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"volume": 167.14825080535655,
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"formula_full": "Al8 Mo3",
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"energy": -66.19477555,
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"updated_at": "2021-11-28T01:35:24.359000Z",
"spacegroup": 12
},
{
"id": "mp-1229326",
"created_at": "2022-09-04T14:46:03.597379Z",
"structure_string": "Al16 P16 H44 C28 N8 O66 F4\n1.0\n10.878961 7.010084 -1.683873\n10.878961 -7.010084 -1.683873\n-0.009952 0.000000 -14.375272\nAl P H C N O F\n16 16 44 28 8 66 4\ndirect\n0.958051 0.365125 0.590676 Al\n0.634875 0.041949 0.909324 Al\n0.041949 0.634875 0.409324 Al\n0.365125 0.958051 0.090676 Al\n0.352577 0.137329 0.440837 Al\n0.862671 0.647423 0.059163 Al\n0.647423 0.862671 0.559163 Al\n0.137329 0.352577 0.940837 Al\n0.184509 0.984430 0.491036 Al\n0.015570 0.815491 0.008964 Al\n0.815491 0.015570 0.508964 Al\n0.984430 0.184509 0.991036 Al\n0.052104 0.267893 0.303418 Al\n0.732107 0.947896 0.196582 Al\n0.947896 0.732107 0.696582 Al\n0.267893 0.052104 0.803418 Al\n0.271950 0.043760 0.294692 P\n0.956240 0.728050 0.205308 P\n0.728050 0.956240 0.705308 P\n0.043760 0.271950 0.794692 P\n0.387296 0.956072 0.606060 P\n0.043928 0.612704 0.893940 P\n0.612704 0.043928 0.393940 P\n0.956072 0.387296 0.106060 P\n0.939340 0.178935 0.485936 P\n0.821065 0.060660 0.014064 P\n0.060660 0.821065 0.514064 P\n0.178935 0.939340 0.985936 P\n0.151475 0.373104 0.437808 P\n0.626896 0.848525 0.062192 P\n0.848525 0.626896 0.562192 P\n0.373104 0.151475 0.937808 P\n0.249672 0.415745 0.734643 H\n0.584255 0.750328 0.765357 H\n0.750328 0.584255 0.265357 H\n0.415745 0.249672 0.234643 H\n0.564234 0.235877 0.696621 H\n0.764123 0.435766 0.803379 H\n0.435766 0.764123 0.303379 H\n0.235877 0.564234 0.196621 H\n0.262315 0.581289 0.647564 H\n0.418711 0.737685 0.852436 H\n0.737685 0.418711 0.352436 H\n0.581289 0.262315 0.147564 H\n0.457934 0.187532 0.687708 H\n0.812468 0.542066 0.812292 H\n0.542066 0.812468 0.312292 H\n0.187532 0.457934 0.187708 H\n0.662886 0.522969 0.597954 H\n0.477031 0.337114 0.902046 H\n0.337114 0.477031 0.402046 H\n0.522969 0.662886 0.097954 H\n0.510622 0.707374 0.597644 H\n0.292626 0.489378 0.902356 H\n0.489378 0.292626 0.402356 H\n0.707374 0.510622 0.097644 H\n0.622278 0.353184 0.622452 H\n0.646816 0.377722 0.877548 H\n0.377722 0.646816 0.377548 H\n0.353184 0.622278 0.122452 H\n0.530841 0.221508 0.583391 H\n0.778492 0.469159 0.916609 H\n0.469159 0.778492 0.416609 H\n0.221508 0.530841 0.083391 H\n0.284912 0.297246 0.668409 H\n0.702754 0.715088 0.831591 H\n0.715088 0.702754 0.331591 H\n0.297246 0.284912 0.168409 H\n0.318297 0.740470 0.617696 H\n0.259530 0.681703 0.882304 H\n0.681703 0.259530 0.382304 H\n0.740470 0.318297 0.117696 H\n0.241037 0.435419 0.609853 H\n0.564581 0.758963 0.890147 H\n0.758963 0.564581 0.390147 H\n0.435419 0.241037 0.109853 H\n0.381510 0.653192 0.621093 C\n0.346808 0.618490 0.878907 C\n0.618490 0.346808 0.378907 C\n0.653192 0.381510 0.121093 C\n0.576200 0.530012 0.608850 C\n0.469988 0.423800 0.891150 C\n0.423800 0.469988 0.391150 C\n0.530012 0.576200 0.108850 C\n0.289239 0.379096 0.667442 C\n0.620904 0.710761 0.832558 C\n0.710761 0.620904 0.332558 C\n0.379096 0.289239 0.167442 C\n0.436656 0.449924 0.638237 C\n0.550076 0.563344 0.861763 C\n0.563344 0.550076 0.361763 C\n0.449924 0.436656 0.138237 C\n0.495464 0.245376 0.655097 C\n0.754624 0.504536 0.844903 C\n0.504536 0.754624 0.344903 C\n0.245376 0.495464 0.155097 C\n0.551896 0.436671 0.623215 C\n0.563329 0.448104 0.876785 C\n0.448104 0.563329 0.376785 C\n0.436671 0.551896 0.123215 C\n0.351982 0.563471 0.636548 C\n0.436529 0.648018 0.863452 C\n0.648018 0.436529 0.363452 C\n0.563471 0.351982 0.136548 C\n0.408315 0.361253 0.653353 N\n0.638747 0.591685 0.846647 N\n0.591685 0.638747 0.346647 N\n0.361253 0.408315 0.153353 N\n0.492181 0.636899 0.607480 N\n0.363101 0.507819 0.892520 N\n0.507819 0.363101 0.392520 N\n0.636899 0.492181 0.107480 N\n0.392955 0.065476 0.555311 O\n0.934524 0.607045 0.944689 O\n0.607045 0.934524 0.444689 O\n0.065476 0.392955 0.055311 O\n0.278046 0.290436 0.436527 O\n0.709564 0.721954 0.063473 O\n0.721954 0.709564 0.563473 O\n0.290436 0.278046 0.936527 O\n0.087937 0.359487 0.533557 O\n0.640513 0.912063 0.966443 O\n0.912063 0.640513 0.466443 O\n0.359487 0.087937 0.033557 O\n0.852135 0.505835 0.576283 O\n0.494165 0.147865 0.923717 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"updated_at": "2021-11-28T01:37:20.270000Z",
"spacegroup": 15
},
{
"id": "mp-693763",
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"structure_string": "Al8 P8 H34 N7 O36 F5\n1.0\n9.456722 0.000000 0.000000\n0.025427 9.669679 0.000000\n0.008425 0.013008 9.955603\nAl P H N O F\n8 8 34 7 36 5\ndirect\n0.100612 0.257873 0.359646 Al\n0.155196 0.477033 0.822733 Al\n0.347531 0.523819 0.324720 Al\n0.397261 0.736773 0.859018 Al\n0.603593 0.238373 0.639960 Al\n0.654040 0.022435 0.175903 Al\n0.845600 0.975269 0.674625 Al\n0.897453 0.762213 0.139433 Al\n0.076519 0.791224 0.854215 P\n0.079617 0.485107 0.140773 P\n0.417361 0.514984 0.638465 P\n0.422428 0.209230 0.358269 P\n0.577634 0.708657 0.142578 P\n0.578668 0.016132 0.861484 P\n0.921877 0.982468 0.361666 P\n0.923623 0.293524 0.642326 P\n0.012148 0.098259 0.066454 H\n0.047435 0.238068 0.968211 H\n0.050719 0.629609 0.597680 H\n0.119728 0.703374 0.458603 H\n0.146121 0.036370 0.692796 H\n0.177627 0.980228 0.224139 H\n0.235047 0.890777 0.086013 H\n0.240399 0.175090 0.743258 H\n0.258082 0.825469 0.242543 H\n0.265301 0.109862 0.586805 H\n0.291579 0.564108 0.008623 H\n0.321982 0.019921 0.724758 H\n0.353803 0.964159 0.192643 H\n0.385212 0.291764 0.958723 H\n0.442519 0.387195 0.089357 H\n0.454750 0.760636 0.471099 H\n0.488086 0.901634 0.567385 H\n0.512211 0.401578 0.932642 H\n0.547317 0.261497 0.030883 H\n0.557545 0.886607 0.410556 H\n0.616598 0.792651 0.542493 H\n0.646151 0.464429 0.307696 H\n0.677889 0.520952 0.774374 H\n0.707822 0.063097 0.492939 H\n0.734507 0.609964 0.912305 H\n0.740414 0.324947 0.257018 H\n0.759319 0.675844 0.755141 H\n0.764947 0.390521 0.414043 H\n0.791696 0.937597 0.991536 H\n0.821373 0.479939 0.275623 H\n0.853269 0.535268 0.806222 H\n0.885098 0.208634 0.040464 H\n0.942881 0.113098 0.909590 H\n0.993547 0.599004 0.438506 H\n0.244119 0.084831 0.685387 N\n0.255903 0.915449 0.184827 N\n0.473040 0.335539 0.004316 N\n0.527969 0.835408 0.496097 N\n0.743834 0.415157 0.315164 N\n0.755862 0.585117 0.813758 N\n0.973091 0.164699 0.994989 N\n0.002687 0.906727 0.775513 O\n0.011695 0.772426 0.995147 O\n0.023216 0.090441 0.296374 O\n0.030955 0.666265 0.503177 O\n0.047862 0.342361 0.206673 O\n0.051609 0.472073 0.989409 O\n0.071741 0.654397 0.772859 O\n0.233093 0.837119 0.877850 O\n0.236913 0.526661 0.164754 O\n0.262575 0.476713 0.666066 O\n0.265412 0.164923 0.381978 O\n0.304711 0.570977 0.910000 O\n0.426968 0.348590 0.282997 O\n0.445335 0.529918 0.486656 O\n0.452650 0.658158 0.703677 O\n0.477016 0.908547 0.798203 O\n0.488332 0.220675 0.498364 O\n0.494448 0.096356 0.274043 O\n0.502242 0.597492 0.226708 O\n0.512945 0.720716 0.001305 O\n0.521911 0.407942 0.700114 O\n0.547017 0.158788 0.795147 O\n0.549889 0.030082 0.012823 O\n0.570804 0.847695 0.217788 O\n0.694282 0.070648 0.591397 O\n0.734093 0.661016 0.121995 O\n0.736480 0.977150 0.838138 O\n0.764303 0.022925 0.336258 O\n0.766707 0.339031 0.618889 O\n0.806220 0.929077 0.090237 O\n0.930064 0.153623 0.715572 O\n0.950586 0.973445 0.512443 O\n0.954847 0.840941 0.294483 O\n0.978258 0.591667 0.207362 O\n0.990241 0.286159 0.500825 O\n0.994992 0.406001 0.727398 O\n0.195616 0.427606 0.400859 F\n0.217610 0.299086 0.864864 F\n0.266338 0.696931 0.370433 F\n0.717805 0.200101 0.137480 F\n0.773582 0.802087 0.641273 F\n",
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