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{
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"results": [
{
"id": "mp-1191939",
"created_at": "2022-09-04T14:46:19.300954Z",
"structure_string": "Al2 H12 I2 O8\n1.0\n0.033958 0.000000 -5.269943\n8.041153 0.000000 0.051535\n-4.037555 -7.027393 2.609204\nAl H I O\n2 12 2 8\ndirect\n0.203108 0.953108 0.906217 Al\n0.796892 0.046892 0.093783 Al\n0.479229 0.297331 0.142955 H\n0.163726 0.845624 0.142955 H\n0.520771 0.702669 0.857045 H\n0.836274 0.154376 0.857045 H\n0.896293 0.617909 0.722122 H\n0.325829 0.104212 0.722122 H\n0.103707 0.382091 0.277878 H\n0.674171 0.895788 0.277878 H\n0.843105 0.694606 0.577003 H\n0.233898 0.882397 0.577003 H\n0.156895 0.305394 0.422997 H\n0.766102 0.117603 0.422997 H\n0.408097 0.658097 0.316195 I\n0.591903 0.341903 0.683805 I\n0.490689 0.161949 0.071835 O\n0.081146 0.909886 0.071835 O\n0.509311 0.838051 0.928165 O\n0.918854 0.090114 0.928165 O\n0.981795 0.702581 0.690865 O\n0.209071 0.988284 0.690865 O\n0.018205 0.297419 0.309135 O\n0.790929 0.011716 0.309135 O\n",
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],
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{
"id": "mp-1193266",
"created_at": "2022-09-04T14:43:39.087542Z",
"structure_string": "Al2 H16 C6 N2 Cl4\n1.0\n7.071960 0.063926 3.111951\n3.231096 7.471192 0.046021\n0.230884 -0.159782 8.843900\nAl H C N Cl\n2 16 6 2 4\ndirect\n0.556096 0.125729 0.906617 Al\n0.443904 0.874271 0.093383 Al\n0.411003 0.891812 0.768377 H\n0.588997 0.108188 0.231623 H\n0.670848 0.826728 0.604433 H\n0.329152 0.173272 0.395567 H\n0.602772 0.667426 0.728557 H\n0.397228 0.332574 0.271443 H\n0.901953 0.783711 0.903226 H\n0.098047 0.216289 0.096774 H\n0.872312 0.606245 0.815797 H\n0.127688 0.393755 0.184203 H\n0.180255 0.661417 0.610955 H\n0.819745 0.338583 0.389045 H\n0.001460 0.689345 0.528637 H\n0.998540 0.310655 0.471363 H\n0.010795 0.882223 0.614937 H\n0.989205 0.117777 0.385063 H\n0.576930 0.810166 0.732326 C\n0.423070 0.189834 0.267674 C\n0.862635 0.744421 0.807481 C\n0.137365 0.255579 0.192519 C\n0.020843 0.745216 0.630273 C\n0.979157 0.254784 0.369727 C\n0.636980 0.865852 0.856867 N\n0.363020 0.134148 0.143133 N\n0.398600 0.270463 0.769198 Cl\n0.601400 0.729537 0.230802 Cl\n0.800905 0.198123 0.890419 Cl\n0.199095 0.801877 0.109581 Cl\n",
"nsites": 30,
"nelements": 5,
"elements": [
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"C",
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],
"chemical_system": "Al-C-Cl-H-N",
"density": 1.1298224827817138,
"density_atomic": 0.06542684975043105,
"volume": 458.5273494663764,
"volume_molar": 9.204387469320766,
"formula_full": "Al2 H16 C6 N2 Cl4",
"formula_reduced": "AlH8C3NCl2",
"formula_anonymous": "ABC2D3E8",
"energy": -158.44249953,
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"updated_at": "2021-11-28T01:36:18.128000Z",
"spacegroup": 2
},
{
"id": "mp-1214891",
"created_at": "2022-09-04T14:39:12.499690Z",
"structure_string": "Al2 H24\n1.0\n0.000000 5.402113 5.402113\n5.402113 0.000000 5.402113\n5.402113 5.402113 0.000000\nAl H\n2 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.742148 0.306875 0.306875 H\n0.306875 0.742148 0.644102 H\n0.306875 0.644102 0.742148 H\n0.306875 0.742148 0.306875 H\n0.507852 0.943125 0.605898 H\n0.507852 0.943125 0.943125 H\n0.644102 0.306875 0.306875 H\n0.644102 0.306875 0.742148 H\n0.943125 0.507852 0.943125 H\n0.943125 0.507852 0.605898 H\n0.742148 0.306875 0.644102 H\n0.943125 0.605898 0.943125 H\n0.943125 0.605898 0.507852 H\n0.306875 0.644102 0.306875 H\n0.605898 0.943125 0.507852 H\n0.605898 0.943125 0.943125 H\n0.306875 0.306875 0.742148 H\n0.644102 0.742148 0.306875 H\n0.306875 0.306875 0.644102 H\n0.742148 0.644102 0.306875 H\n0.605898 0.507852 0.943125 H\n0.943125 0.943125 0.507852 H\n0.507852 0.605898 0.943125 H\n0.943125 0.943125 0.605898 H\n",
"nsites": 26,
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"elements": [
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],
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"formula_full": "Al2 H24",
"formula_reduced": "AlH12",
"formula_anonymous": "AB12",
"energy": -86.8365631,
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"updated_at": "2021-11-28T01:34:26.977000Z",
"spacegroup": 227
},
{
"id": "mp-23743",
"created_at": "2022-09-04T14:45:04.743266Z",
"structure_string": "Al2 H24 Cl6 O12\n1.0\n5.291859 -5.925697 0.000000\n5.291859 5.925697 0.000000\n-1.343594 0.000000 7.830224\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.886703 0.291710 0.085345 H\n0.085345 0.886703 0.291710 H\n0.291710 0.085345 0.886703 H\n0.613297 0.414655 0.208290 H\n0.208290 0.613297 0.414655 H\n0.414655 0.208290 0.613297 H\n0.113297 0.708290 0.914655 H\n0.914655 0.113297 0.708290 H\n0.708290 0.914655 0.113297 H\n0.386703 0.585345 0.791710 H\n0.791710 0.386703 0.585345 H\n0.585345 0.791710 0.386703 H\n0.957790 0.214668 0.258266 H\n0.258266 0.957790 0.214668 H\n0.214668 0.258266 0.957790 H\n0.542210 0.241734 0.285332 H\n0.285332 0.542210 0.241734 H\n0.241734 0.285332 0.542210 H\n0.042210 0.785332 0.741734 H\n0.741734 0.042210 0.785332 H\n0.758266 0.714668 0.457790 H\n0.714668 0.457790 0.758266 H\n0.457790 0.758266 0.714668 H\n0.785332 0.741734 0.042210 H\n0.518697 0.981303 0.250000 Cl\n0.750000 0.481303 0.018697 Cl\n0.018697 0.750000 0.481303 Cl\n0.481303 0.018697 0.750000 Cl\n0.981303 0.250000 0.518697 Cl\n0.250000 0.518697 0.981303 Cl\n0.944758 0.197382 0.130402 O\n0.130402 0.944758 0.197382 O\n0.197382 0.130402 0.944758 O\n0.555242 0.369598 0.302618 O\n0.302618 0.555242 0.369598 O\n0.369598 0.302618 0.555242 O\n0.055242 0.802618 0.869598 O\n0.869598 0.055242 0.802618 O\n0.802618 0.869598 0.055242 O\n0.444758 0.630402 0.697382 O\n0.697382 0.444758 0.630402 O\n0.630402 0.697382 0.444758 O\n",
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],
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"density": 1.6327602985871787,
"density_atomic": 0.08959851047578912,
"volume": 491.07959235426654,
"volume_molar": 6.721250976183666,
"formula_full": "Al2 H24 Cl6 O12",
"formula_reduced": "AlH12(ClO2)3",
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"updated_at": "2021-11-28T01:36:52.026000Z",
"spacegroup": 167
},
{
"id": "mp-1202807",
"created_at": "2022-09-04T14:47:24.051086Z",
"structure_string": "Al2 H24 N6 F12\n1.0\n4.446563 -4.530982 0.000000\n4.446563 4.530982 0.000000\n0.000000 0.000000 9.063476\nAl H N F\n2 24 6 12\ndirect\n0.500632 0.500632 0.500000 Al\n0.000632 0.000632 0.000000 Al\n0.141093 0.501848 0.690595 H\n0.501848 0.141093 0.309405 H\n0.641093 0.001848 0.809405 H\n0.001848 0.641093 0.190595 H\n0.871470 0.493409 0.681579 H\n0.493409 0.871470 0.318421 H\n0.371470 0.993409 0.818421 H\n0.993409 0.371470 0.181579 H\n0.006635 0.628169 0.820615 H\n0.628169 0.006635 0.179385 H\n0.506635 0.128169 0.679385 H\n0.128169 0.506635 0.320615 H\n0.998439 0.360064 0.811599 H\n0.360064 0.998439 0.188401 H\n0.498439 0.860064 0.688401 H\n0.860064 0.498439 0.311599 H\n0.367306 0.494280 0.063468 H\n0.494280 0.367306 0.936532 H\n0.867306 0.994280 0.436532 H\n0.994280 0.867306 0.563468 H\n0.631226 0.499678 0.065717 H\n0.499678 0.631226 0.934283 H\n0.131226 0.999678 0.434283 H\n0.999678 0.131226 0.565717 H\n0.001695 0.498813 0.750750 N\n0.498813 0.001695 0.249250 N\n0.501695 0.998813 0.749250 N\n0.998813 0.501695 0.250750 N\n0.499894 0.499894 0.000000 N\n0.999894 0.999894 0.500000 N\n0.295527 0.295527 0.500000 F\n0.795527 0.795527 0.000000 F\n0.706078 0.706078 0.500000 F\n0.206078 0.206078 0.000000 F\n0.438058 0.563468 0.692729 F\n0.563468 0.438058 0.307271 F\n0.938058 0.063468 0.807271 F\n0.063468 0.938058 0.192729 F\n0.693805 0.308414 0.562636 F\n0.308414 0.693805 0.437364 F\n0.193805 0.808414 0.937364 F\n0.808414 0.193805 0.062636 F\n",
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{
"id": "mp-1203296",
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"structure_string": "Al2 H24 N6 O30\n1.0\n6.108487 5.906415 0.000000\n-6.108487 5.906415 0.000000\n0.000000 0.765530 8.571963\nAl H N O\n2 24 6 30\ndirect\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.134298 0.483168 0.264376 H\n0.516832 0.865702 0.235624 H\n0.865702 0.516832 0.735624 H\n0.483168 0.134298 0.764376 H\n0.068130 0.659640 0.238142 H\n0.340360 0.931870 0.261858 H\n0.931870 0.340360 0.761858 H\n0.659640 0.068130 0.738142 H\n0.173418 0.258749 0.004929 H\n0.741251 0.826582 0.495071 H\n0.826582 0.741251 0.995071 H\n0.258749 0.173418 0.504929 H\n0.014338 0.212131 0.115809 H\n0.787869 0.985662 0.384191 H\n0.985662 0.787869 0.884191 H\n0.212131 0.014338 0.615809 H\n0.721557 0.369294 0.057414 H\n0.630706 0.278443 0.442586 H\n0.278443 0.630706 0.942586 H\n0.369294 0.721557 0.557414 H\n0.757012 0.486164 0.199545 H\n0.513836 0.242988 0.300455 H\n0.242988 0.513836 0.800455 H\n0.486164 0.757012 0.699545 H\n0.260087 0.465654 0.515340 N\n0.534346 0.739913 0.984660 N\n0.739913 0.534346 0.484660 N\n0.465654 0.260087 0.015340 N\n0.041042 0.958958 0.250000 N\n0.958958 0.041042 0.750000 N\n0.077059 0.554057 0.193225 O\n0.445943 0.922941 0.306775 O\n0.922941 0.445943 0.806775 O\n0.554057 0.077059 0.693225 O\n0.063098 0.289119 0.032376 O\n0.710881 0.936902 0.467624 O\n0.936902 0.710881 0.967624 O\n0.289119 0.063098 0.532376 O\n0.801429 0.442078 0.101929 O\n0.557922 0.198571 0.398071 O\n0.198571 0.557922 0.898071 O\n0.442078 0.801429 0.601929 O\n0.218463 0.364365 0.421375 O\n0.635635 0.781537 0.078625 O\n0.781537 0.635635 0.578625 O\n0.364365 0.218463 0.921375 O\n0.420389 0.313514 0.143998 O\n0.686486 0.579611 0.356002 O\n0.579611 0.686486 0.856002 O\n0.313514 0.420389 0.643998 O\n0.247085 0.610908 0.477383 O\n0.389092 0.752915 0.022617 O\n0.752915 0.389092 0.522617 O\n0.610908 0.247085 0.977383 O\n0.935516 0.064484 0.250000 O\n0.064484 0.935516 0.750000 O\n0.006486 0.825357 0.316991 O\n0.174643 0.993514 0.183009 O\n0.993514 0.174643 0.683009 O\n0.825357 0.006486 0.816991 O\n",
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{
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{
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}