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{
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"results": [
{
"id": "mp-761745",
"created_at": "2022-09-04T14:40:15.673241Z",
"structure_string": "Sr2 Cd4 H32 Br12 O16\n1.0\n4.185701 0.000000 0.000000\n0.000000 8.733390 0.000000\n0.000000 0.000000 26.102467\nSr Cd H Br O\n2 4 32 12 16\ndirect\n0.500000 0.329951 0.000000 Sr\n0.000000 0.670049 0.500000 Sr\n0.035332 0.863323 0.193104 Cd\n0.535332 0.136677 0.306896 Cd\n0.464668 0.136677 0.693104 Cd\n0.964668 0.863323 0.806896 Cd\n0.909738 0.611178 0.025465 H\n0.498313 0.968916 0.029876 H\n0.966551 0.126656 0.067086 H\n0.274715 0.512960 0.091383 H\n0.969594 0.287035 0.095110 H\n0.594156 0.599968 0.093781 H\n0.200379 0.434240 0.172869 H\n0.881054 0.345893 0.177906 H\n0.381054 0.654107 0.322094 H\n0.700379 0.565760 0.327131 H\n0.094156 0.400032 0.406219 H\n0.469594 0.712965 0.404890 H\n0.774715 0.487040 0.408617 H\n0.466551 0.873344 0.432914 H\n0.998313 0.031084 0.470124 H\n0.409738 0.388822 0.474535 H\n0.590262 0.388822 0.525465 H\n0.001687 0.031084 0.529876 H\n0.533449 0.873344 0.567086 H\n0.225285 0.487040 0.591383 H\n0.530406 0.712965 0.595110 H\n0.905844 0.400032 0.593781 H\n0.299621 0.565760 0.672869 H\n0.618946 0.654107 0.677906 H\n0.118946 0.345893 0.822094 H\n0.799621 0.434240 0.827131 H\n0.405844 0.599968 0.906219 H\n0.030406 0.287035 0.904890 H\n0.725285 0.512960 0.908617 H\n0.033449 0.126656 0.932914 H\n0.501687 0.968916 0.970124 H\n0.090262 0.611178 0.974535 H\n0.994516 0.838637 0.087313 Br\n0.543439 0.083997 0.193110 Br\n0.522616 0.658273 0.210206 Br\n0.022616 0.341727 0.289794 Br\n0.043439 0.916003 0.306890 Br\n0.494516 0.161363 0.412687 Br\n0.505484 0.161363 0.587313 Br\n0.956561 0.916003 0.693110 Br\n0.977384 0.341727 0.710206 Br\n0.477384 0.658273 0.789794 Br\n0.456561 0.083997 0.806890 Br\n0.005484 0.838637 0.912687 Br\n0.000000 0.540204 0.000000 O\n0.500000 0.037033 0.000000 O\n0.966046 0.237851 0.060556 O\n0.495120 0.509038 0.078725 O\n0.029637 0.387374 0.152421 O\n0.529637 0.612626 0.347579 O\n0.995120 0.490962 0.421275 O\n0.466046 0.762149 0.439444 O\n0.000000 0.962967 0.500000 O\n0.500000 0.459796 0.500000 O\n0.533954 0.762149 0.560556 O\n0.004880 0.490962 0.578725 O\n0.470363 0.612626 0.652421 O\n0.970363 0.387374 0.847579 O\n0.504880 0.509038 0.921275 O\n0.033954 0.237851 0.939444 O\n",
"nsites": 66,
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"density_atomic": 0.06916897241345872,
"volume": 954.1850586630645,
"volume_molar": 8.706419294481565,
"formula_full": "Sr2 Cd4 H32 Br12 O16",
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"energy": -302.87965463,
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"updated_at": "2021-11-28T01:34:58.853000Z",
"spacegroup": 18
},
{
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"created_at": "2022-09-04T14:40:15.717454Z",
"structure_string": "Fe1 Cl2\n1.0\n6.748006 -1.762234 0.000000\n6.748006 1.762234 0.000000\n6.287800 0.000000 3.017386\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.736716 0.736716 0.736716 Cl\n0.263284 0.263284 0.263284 Cl\n",
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},
{
"id": "mp-1224722",
"created_at": "2022-09-04T14:40:15.789958Z",
"structure_string": "K14 P16 Pd9 O56\n1.0\n7.070776 9.636578 0.000000\n-7.070776 9.636578 0.000000\n0.000000 6.161345 10.785952\nK P Pd O\n14 16 9 56\ndirect\n0.585793 0.120875 0.417177 K\n0.120875 0.585793 0.417177 K\n0.415150 0.878375 0.582780 K\n0.878375 0.415150 0.582780 K\n0.648077 0.113537 0.098336 K\n0.113537 0.648077 0.098336 K\n0.354134 0.883719 0.901296 K\n0.883719 0.354134 0.901296 K\n0.841404 0.841404 0.407084 K\n0.157492 0.157492 0.594151 K\n0.999245 0.999245 0.501144 K\n0.258965 0.740942 0.500160 K\n0.740942 0.258965 0.500160 K\n0.252850 0.252850 0.999264 K\n0.139696 0.924168 0.196163 P\n0.924168 0.139696 0.196163 P\n0.859949 0.075484 0.803691 P\n0.075484 0.859949 0.803691 P\n0.604366 0.819227 0.310802 P\n0.819227 0.604366 0.310802 P\n0.395792 0.180632 0.688445 P\n0.180632 0.395792 0.688445 P\n0.320934 0.108893 0.300927 P\n0.108893 0.320934 0.300927 P\n0.680026 0.890721 0.699900 P\n0.890721 0.680026 0.699900 P\n0.425490 0.628178 0.192891 P\n0.628178 0.425490 0.192891 P\n0.575846 0.371670 0.806692 P\n0.371670 0.575846 0.806692 P\n0.434539 0.434539 0.452488 Pd\n0.566034 0.566034 0.546939 Pd\n0.413168 0.915631 0.156300 Pd\n0.915631 0.413168 0.156300 Pd\n0.587963 0.083258 0.843588 Pd\n0.083258 0.587963 0.843588 Pd\n0.000044 0.000044 0.999565 Pd\n0.373793 0.373793 0.242837 Pd\n0.626954 0.626954 0.756769 Pd\n0.606433 0.931744 0.338005 O\n0.931744 0.606433 0.338005 O\n0.393608 0.067942 0.662424 O\n0.067942 0.393608 0.662424 O\n0.203306 0.203306 0.258570 O\n0.797625 0.797625 0.740014 O\n0.414474 0.764562 0.115520 O\n0.764562 0.414474 0.115520 O\n0.582852 0.235613 0.885857 O\n0.235613 0.582852 0.885857 O\n0.252971 0.990253 0.109212 O\n0.990253 0.252971 0.109212 O\n0.745982 0.012070 0.890652 O\n0.012070 0.745982 0.890652 O\n0.272601 0.005117 0.416017 O\n0.005117 0.272601 0.416017 O\n0.727492 0.994830 0.583731 O\n0.994830 0.727492 0.583731 O\n0.347963 0.564497 0.166437 O\n0.564497 0.347963 0.166437 O\n0.652151 0.435429 0.833738 O\n0.435429 0.652151 0.833738 O\n0.090856 0.881778 0.122197 O\n0.881778 0.090856 0.122197 O\n0.909617 0.118038 0.877477 O\n0.118038 0.909617 0.877477 O\n0.747190 0.747190 0.286764 O\n0.252509 0.252509 0.713763 O\n0.385575 0.186837 0.326863 O\n0.186837 0.385575 0.326863 O\n0.614402 0.813231 0.673719 O\n0.813231 0.614402 0.673719 O\n0.519924 0.731705 0.424712 O\n0.731705 0.519924 0.424712 O\n0.480087 0.268205 0.575756 O\n0.268205 0.480087 0.575756 O\n0.153322 0.822444 0.312555 O\n0.822444 0.153322 0.312555 O\n0.847865 0.178114 0.686822 O\n0.178114 0.847865 0.686822 O\n0.405235 0.076357 0.181528 O\n0.076357 0.405235 0.181528 O\n0.592709 0.925733 0.816742 O\n0.925733 0.592709 0.816742 O\n0.569484 0.569484 0.142064 O\n0.430190 0.430190 0.858084 O\n0.391703 0.605931 0.332885 O\n0.605931 0.391703 0.332885 O\n0.608203 0.393701 0.667329 O\n0.393701 0.608203 0.667329 O\n0.029863 0.029863 0.246660 O\n0.970497 0.970497 0.752877 O\n0.578131 0.846753 0.190301 O\n0.846753 0.578131 0.190301 O\n0.420055 0.154123 0.810454 O\n0.154123 0.420055 0.810454 O\n",
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],
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"formula_full": "K14 P16 Pd9 O56",
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"updated_at": "2021-11-28T01:34:48.525000Z",
"spacegroup": 8
},
{
"id": "mp-1221441",
"created_at": "2022-09-04T14:40:15.791209Z",
"structure_string": "Mo4 Pt4\n1.0\n2.837067 -4.881410 0.000000\n2.837067 4.881410 0.000000\n0.000000 0.000000 4.503795\nMo Pt\n4 4\ndirect\n0.334811 0.665189 0.000000 Mo\n0.666746 0.333254 0.500000 Mo\n0.820549 0.660927 0.000000 Mo\n0.339073 0.179451 0.000000 Mo\n0.835070 0.164930 0.000000 Pt\n0.166125 0.329585 0.500000 Pt\n0.670415 0.833875 0.500000 Pt\n0.167460 0.832540 0.500000 Pt\n",
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{
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{
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{
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{
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