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{
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"volume_molar": 10.347054438089888,
"formula_full": "Mo12 H32 C16 S4 N8 Cl24 O28",
"formula_reduced": "Mo3H8C4SN2Cl6O7",
"formula_anonymous": "AB2C3D4E6F7G8",
"energy": -780.22228888,
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"updated_at": "2021-11-28T01:38:02.206000Z",
"spacegroup": 14
},
{
"id": "mp-1195191",
"created_at": "2022-09-04T14:48:25.383778Z",
"structure_string": "Mo4 H66 C26 S4 N8 Cl6 O10\n1.0\n9.137122 0.000000 0.000000\n2.532176 12.228904 0.000000\n3.713647 3.676626 14.037422\nMo H C S N Cl O\n4 66 26 4 8 6 10\ndirect\n0.241223 0.797855 0.747021 Mo\n0.758777 0.202145 0.252979 Mo\n0.289444 0.542965 0.692947 Mo\n0.710556 0.457035 0.307053 Mo\n0.974693 0.901322 0.916718 H\n0.025307 0.098678 0.083282 H\n0.760808 0.955262 0.002284 H\n0.239192 0.044738 0.997716 H\n0.597562 0.911345 0.984221 H\n0.402438 0.088655 0.015779 H\n0.672793 0.842254 0.088983 H\n0.327207 0.157746 0.911017 H\n0.724982 0.645729 0.037641 H\n0.275018 0.354271 0.962359 H\n0.630230 0.727120 0.943265 H\n0.369770 0.272880 0.056735 H\n0.821731 0.656905 0.915937 H\n0.178269 0.343095 0.084063 H\n0.139012 0.304138 0.774641 H\n0.860988 0.695862 0.225359 H\n0.840214 0.489234 0.888123 H\n0.159786 0.510766 0.111877 H\n0.699165 0.422883 0.867376 H\n0.300835 0.577117 0.132624 H\n0.770536 0.368542 0.975303 H\n0.229464 0.631458 0.024697 H\n0.990147 0.176291 0.821595 H\n0.009853 0.823709 0.178405 H\n0.849650 0.179201 0.929345 H\n0.150350 0.820799 0.070655 H\n0.796467 0.236630 0.816073 H\n0.203533 0.763370 0.183927 H\n0.309798 0.529043 0.476964 H\n0.690202 0.470957 0.523036 H\n0.029310 0.336641 0.600134 H\n0.970690 0.663359 0.399866 H\n0.024994 0.304744 0.490963 H\n0.975006 0.695256 0.509037 H\n0.171223 0.233328 0.556008 H\n0.828777 0.766672 0.443992 H\n0.320896 0.336604 0.366029 H\n0.679104 0.663396 0.633971 H\n0.142377 0.421161 0.347019 H\n0.857623 0.578839 0.652981 H\n0.303270 0.485644 0.345090 H\n0.696730 0.514356 0.654910 H\n0.170313 0.051949 0.398508 H\n0.829687 0.948051 0.601492 H\n0.270958 0.986269 0.494462 H\n0.729042 0.013731 0.505538 H\n0.356206 0.086673 0.390889 H\n0.643794 0.913327 0.609111 H\n0.321943 0.763539 0.370784 H\n0.678057 0.236461 0.629216 H\n0.258335 0.797927 0.484467 H\n0.741665 0.202073 0.515533 H\n0.150129 0.861700 0.391940 H\n0.849871 0.138300 0.608060 H\n0.581581 0.955174 0.361145 H\n0.418419 0.044826 0.638855 H\n0.503937 0.853434 0.467013 H\n0.496063 0.146566 0.532987 H\n0.564823 0.815970 0.354550 H\n0.435177 0.184030 0.645450 H\n0.250069 0.999141 0.251587 H\n0.749931 0.000859 0.748413 H\n0.437037 0.037936 0.236775 H\n0.562963 0.962064 0.763225 H\n0.419920 0.899217 0.231404 H\n0.580080 0.100783 0.768596 H\n0.942887 0.821329 0.915216 C\n0.057113 0.178671 0.084784 C\n0.056782 0.367576 0.806056 C\n0.943218 0.632424 0.193944 C\n0.232520 0.468714 0.522846 C\n0.767480 0.531286 0.477154 C\n0.703157 0.882366 0.012376 C\n0.296843 0.117634 0.987624 C\n0.741204 0.701495 0.965124 C\n0.258796 0.298505 0.034876 C\n0.800546 0.408681 0.898696 C\n0.199454 0.591319 0.101304 C\n0.888367 0.225144 0.855052 C\n0.111633 0.774856 0.144948 C\n0.098280 0.314438 0.535311 C\n0.901720 0.685562 0.464689 C\n0.242213 0.412468 0.378407 C\n0.757787 0.587532 0.621593 C\n0.282674 0.020061 0.417174 C\n0.717326 0.979939 0.582826 C\n0.264568 0.829839 0.407328 C\n0.735432 0.170161 0.592672 C\n0.514705 0.884620 0.389618 C\n0.485295 0.115380 0.610382 C\n0.366541 0.969409 0.264077 C\n0.633459 0.030591 0.735923 C\n0.351479 0.606894 0.811409 S\n0.648521 0.393106 0.188591 S\n0.105306 0.711176 0.672993 S\n0.894694 0.288824 0.327007 S\n0.802373 0.802047 0.962544 N\n0.197627 0.197953 0.037456 N\n0.922239 0.335162 0.852422 N\n0.077761 0.664838 0.147578 N\n0.190621 0.403341 0.480307 N\n0.809379 0.596659 0.519693 N\n0.356921 0.926142 0.369715 N\n0.643079 0.073858 0.630285 N\n0.317255 0.858359 0.871766 Cl\n0.682745 0.141641 0.128234 Cl\n0.066431 0.982841 0.709756 Cl\n0.933569 0.017159 0.290244 Cl\n0.432873 0.349320 0.751341 Cl\n0.567127 0.650680 0.248659 Cl\n0.388060 0.842650 0.653175 O\n0.611940 0.157350 0.346825 O\n0.425910 0.584150 0.591793 O\n0.574090 0.415850 0.408207 O\n0.034170 0.755134 0.871382 O\n0.965830 0.244866 0.128618 O\n0.091635 0.463010 0.797795 O\n0.908365 0.536990 0.202205 O\n0.187907 0.461948 0.610955 O\n0.812093 0.538052 0.389045 O\n",
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"updated_at": "2021-11-28T01:39:32.724000Z",
"spacegroup": 2
},
{
"id": "mp-605018",
"created_at": "2022-09-04T14:41:04.621816Z",
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