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{
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{
"id": "mp-734071",
"created_at": "2022-09-04T14:40:16.335181Z",
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{
"id": "mp-1245061",
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"structure_string": "V30 O75\n1.0\n11.611821 0.094375 -0.207041\n0.070898 12.512494 -0.239486\n-0.217522 -0.267868 12.588854\nV O\n30 75\ndirect\n0.188352 0.760106 0.221360 V\n0.909612 0.816888 0.696392 V\n0.095938 0.056628 0.992097 V\n0.796646 0.042453 0.329374 V\n0.867762 0.900123 0.902061 V\n0.179647 0.883588 0.862749 V\n0.029200 0.632000 0.840391 V\n0.468328 0.860488 0.419677 V\n0.799537 0.570562 0.659592 V\n0.963659 0.604366 0.205459 V\n0.596917 0.113843 0.413562 V\n0.293357 0.959434 0.624193 V\n0.394864 0.840896 0.043302 V\n0.611900 0.172396 0.940580 V\n0.992661 0.653825 0.492669 V\n0.000378 0.181521 0.365918 V\n0.018271 0.925479 0.483649 V\n0.296202 0.070329 0.183244 V\n0.486374 0.569289 0.591916 V\n0.646950 0.361458 0.766374 V\n0.301335 0.512909 0.796853 V\n0.536996 0.925152 0.809892 V\n0.550061 0.303007 0.532015 V\n0.778166 0.239364 0.164730 V\n0.642819 0.730282 0.769972 V\n0.172471 0.523075 0.353411 V\n0.698671 0.499858 0.200658 V\n0.628580 0.761119 0.989097 V\n0.436924 0.554515 0.056725 V\n0.362890 0.285054 0.050642 V\n0.067181 0.423470 0.289563 O\n0.148544 0.873360 0.274345 O\n0.834313 0.551827 0.148942 O\n0.010685 0.596239 0.960451 O\n0.862699 0.573586 0.537396 O\n0.505239 0.770793 0.808969 O\n0.300436 0.052008 0.308491 O\n0.004226 0.721677 0.626813 O\n0.676000 0.553716 0.316188 O\n0.040944 0.925024 0.934624 O\n0.935641 0.767754 0.835259 O\n0.382044 0.964285 0.117758 O\n0.341403 0.579538 0.144186 O\n0.436464 0.402274 0.073866 O\n0.603685 0.050851 0.867786 O\n0.558754 0.282700 0.672188 O\n0.392553 0.812434 0.312576 O\n0.715498 0.834428 0.884529 O\n0.589802 0.538978 0.109805 O\n0.044745 0.709417 0.159991 O\n0.250082 0.267398 0.946893 O\n0.150755 0.065398 0.130487 O\n0.963418 0.034888 0.400360 O\n0.110608 0.563315 0.483279 O\n0.083722 0.499516 0.208210 O\n0.276867 0.780059 0.108642 O\n0.305221 0.385085 0.777518 O\n0.874699 0.166784 0.259948 O\n0.782146 0.731201 0.683551 O\n0.154209 0.553396 0.791674 O\n0.561130 0.448913 0.821171 O\n0.324940 0.851122 0.922088 O\n0.484769 0.708768 0.039028 O\n0.291316 0.459521 0.373558 O\n0.002900 0.792191 0.435777 O\n0.672764 0.252152 0.479575 O\n0.312639 0.084004 0.604934 O\n0.681975 0.167583 0.066831 O\n0.703216 0.354811 0.218284 O\n0.620109 0.616817 0.667715 O\n0.666248 0.650542 0.882468 O\n0.748860 0.430510 0.696917 O\n0.870513 0.292914 0.091907 O\n0.965408 0.269466 0.458882 O\n0.842449 0.985679 0.000650 O\n0.592874 0.799532 0.432995 O\n0.796634 0.926994 0.266997 O\n0.212752 0.327562 0.040195 O\n0.935760 0.924337 0.593918 O\n0.142155 0.751744 0.858895 O\n0.445548 0.654894 0.505976 O\n0.463092 0.211491 0.469314 O\n0.156531 0.945494 0.528145 O\n0.380589 0.876984 0.546340 O\n0.207974 0.658576 0.315272 O\n0.473209 0.215363 0.957500 O\n0.861969 0.954555 0.780149 O\n0.943432 0.618807 0.335975 O\n0.733842 0.038081 0.454864 O\n0.368340 0.195566 0.157564 O\n0.537254 0.887043 0.983982 O\n0.665060 0.118691 0.283390 O\n0.376345 0.567799 0.685618 O\n0.129125 0.205937 0.325367 O\n0.688646 0.264327 0.868534 O\n0.025006 0.160668 0.953675 O\n0.217239 0.030408 0.917991 O\n0.506624 0.003797 0.405515 O\n0.411912 0.963722 0.750177 O\n0.517985 0.445348 0.521726 O\n0.623116 0.885415 0.708854 O\n0.716908 0.760937 0.090218 O\n0.915056 0.565757 0.762482 O\n0.365776 0.549465 0.926490 O\n0.186506 0.911801 0.731270 O\n",
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"formula_full": "V30 O75",
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"updated_at": "2021-11-28T01:34:46.773000Z",
"spacegroup": 1
},
{
"id": "mp-979972",
"created_at": "2022-09-04T14:40:16.359238Z",
"structure_string": "Sm3 Al3 Cu3\n1.0\n3.564938 -6.174654 0.000000\n3.564938 6.174654 0.000000\n0.000000 0.000000 4.090198\nSm Al Cu\n3 3 3\ndirect\n0.583686 0.000000 0.500000 Sm\n0.000000 0.583686 0.500000 Sm\n0.416314 0.416314 0.500000 Sm\n0.232467 0.000000 0.000000 Al\n0.000000 0.232467 0.000000 Al\n0.767533 0.767533 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n",
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"formula_full": "Sm3 Al3 Cu3",
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{
"id": "mp-707457",
"created_at": "2022-09-04T14:40:16.406336Z",
"structure_string": "K2 Mg4 B24 H38 O60\n1.0\n4.256925 9.357626 0.000000\n-4.256925 9.357626 0.000000\n0.000000 2.586687 14.580314\nK Mg B H O\n2 4 24 38 60\ndirect\n0.122829 0.877171 0.250000 K\n0.877171 0.122829 0.750000 K\n0.284147 0.440288 0.164852 Mg\n0.559712 0.715853 0.335148 Mg\n0.715853 0.559712 0.835148 Mg\n0.440288 0.284147 0.664852 Mg\n0.646115 0.353128 0.108449 B\n0.646872 0.353885 0.391551 B\n0.353885 0.646872 0.891551 B\n0.353128 0.646115 0.608449 B\n0.768624 0.093377 0.025347 B\n0.906623 0.231376 0.474653 B\n0.231376 0.906623 0.974653 B\n0.093377 0.768624 0.525347 B\n0.684675 0.094035 0.196531 B\n0.905965 0.315325 0.303469 B\n0.315325 0.905965 0.803469 B\n0.094035 0.684675 0.696531 B\n0.938968 0.534273 0.254936 B\n0.465727 0.061032 0.245064 B\n0.061032 0.465727 0.745064 B\n0.534273 0.938968 0.754936 B\n0.155542 0.235432 0.193095 B\n0.764568 0.844458 0.306905 B\n0.844458 0.764568 0.806905 B\n0.235432 0.155542 0.693095 B\n0.255830 0.261320 0.022664 B\n0.738680 0.744170 0.477336 B\n0.744170 0.738680 0.977336 B\n0.261320 0.255830 0.522664 B\n0.262653 0.737347 0.750000 H\n0.737347 0.262653 0.250000 H\n0.830729 0.365674 0.131805 H\n0.634326 0.169271 0.368195 H\n0.169271 0.634326 0.868195 H\n0.365674 0.830729 0.631805 H\n0.162727 0.076348 0.065057 H\n0.923652 0.837273 0.434943 H\n0.837273 0.923652 0.934943 H\n0.076348 0.162727 0.565057 H\n0.406070 0.581280 0.066812 H\n0.418720 0.593930 0.433188 H\n0.593930 0.418720 0.933188 H\n0.581280 0.406070 0.566812 H\n0.728056 0.863514 0.077829 H\n0.136486 0.271944 0.422171 H\n0.271944 0.136486 0.922171 H\n0.863514 0.728056 0.577829 H\n0.299030 0.429564 0.982924 H\n0.570436 0.700970 0.517076 H\n0.700970 0.570436 0.017076 H\n0.429564 0.299030 0.482924 H\n0.977516 0.778743 0.128909 H\n0.221257 0.022484 0.371091 H\n0.022484 0.221257 0.871091 H\n0.778743 0.977516 0.628909 H\n0.132966 0.730803 0.055628 H\n0.269197 0.867034 0.444372 H\n0.867034 0.269197 0.944372 H\n0.730803 0.132966 0.555628 H\n0.568328 0.624161 0.173775 H\n0.375839 0.431672 0.326225 H\n0.431672 0.375839 0.826225 H\n0.624161 0.568328 0.673775 H\n0.504937 0.810545 0.164990 H\n0.189455 0.495063 0.335010 H\n0.495063 0.189455 0.835010 H\n0.810545 0.504937 0.664990 H\n0.717087 0.256766 0.024211 O\n0.743234 0.282913 0.475789 O\n0.282913 0.743234 0.975789 O\n0.256766 0.717087 0.524211 O\n0.697899 0.230526 0.189552 O\n0.769474 0.302101 0.310448 O\n0.302101 0.769474 0.810448 O\n0.230526 0.697899 0.689552 O\n0.756817 0.010125 0.105273 O\n0.989875 0.243183 0.394727 O\n0.243183 0.989875 0.894727 O\n0.010125 0.756817 0.605273 O\n0.023049 0.224047 0.227041 O\n0.775953 0.976951 0.272959 O\n0.976951 0.775953 0.772959 O\n0.224047 0.023049 0.727041 O\n0.496665 0.172511 0.207405 O\n0.827489 0.503335 0.292595 O\n0.503335 0.827489 0.792595 O\n0.172511 0.496665 0.707405 O\n0.315417 0.096735 0.238072 O\n0.903265 0.684583 0.261928 O\n0.684583 0.903265 0.761928 O\n0.096735 0.315417 0.738072 O\n0.098529 0.407490 0.210114 O\n0.592510 0.901471 0.289886 O\n0.901471 0.592510 0.789886 O\n0.407490 0.098529 0.710114 O\n0.188181 0.212194 0.091748 O\n0.787806 0.811819 0.408252 O\n0.811819 0.787806 0.908252 O\n0.212194 0.188181 0.591748 O\n0.714484 0.442671 0.108550 O\n0.557329 0.285516 0.391450 O\n0.285516 0.557329 0.891450 O\n0.442671 0.714484 0.608550 O\n0.165290 0.979893 0.057253 O\n0.020107 0.834710 0.442747 O\n0.834710 0.020107 0.942747 O\n0.979893 0.165290 0.557253 O\n0.456187 0.481085 0.112490 O\n0.518915 0.543813 0.387510 O\n0.543813 0.518915 0.887510 O\n0.481085 0.456187 0.612490 O\n0.703845 0.789578 0.065276 O\n0.210422 0.296155 0.434724 O\n0.296155 0.210422 0.934724 O\n0.789578 0.703845 0.565276 O\n0.289116 0.366908 0.039052 O\n0.633092 0.710884 0.460948 O\n0.710884 0.633092 0.960948 O\n0.366908 0.289116 0.539052 O\n0.103718 0.695616 0.115529 O\n0.304384 0.896282 0.384471 O\n0.896282 0.304384 0.884471 O\n0.695616 0.103718 0.615529 O\n0.491374 0.734326 0.205174 O\n0.265674 0.508626 0.294826 O\n0.508626 0.265674 0.794826 O\n0.734326 0.491374 0.705174 O\n",
"nsites": 128,
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],
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"volume_molar": 5.465117298132252,
"formula_full": "K2 Mg4 B24 H38 O60",
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"energy": -873.5760194200001,
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"spacegroup": 15
},
{
"id": "mp-1027847",
"created_at": "2022-09-04T14:40:16.407632Z",
"structure_string": "Mg14 Ga1 Fe1\n1.0\n6.260830 -0.000000 0.000000\n-3.130415 5.422038 -0.000000\n-0.000000 -0.000000 9.856197\nMg Ga Fe\n14 1 1\ndirect\n0.164447 0.832223 0.125000 Mg\n0.168763 0.834381 0.625000 Mg\n0.667777 0.335553 0.125000 Mg\n0.665619 0.331237 0.625000 Mg\n0.667777 0.832223 0.125000 Mg\n0.665619 0.834381 0.625000 Mg\n0.324829 0.175171 0.365399 Mg\n0.324829 0.175171 0.884601 Mg\n0.324829 0.649660 0.365399 Mg\n0.324829 0.649660 0.884601 Mg\n0.850340 0.175171 0.365399 Mg\n0.850340 0.175171 0.884601 Mg\n0.833333 0.666667 0.376769 Mg\n0.833333 0.666667 0.873231 Mg\n0.166667 0.333333 0.625000 Ga\n0.166667 0.333333 0.125000 Fe\n",
"nsites": 16,
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{
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