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{
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},
{
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"created_at": "2022-09-04T14:45:09.109051Z",
"structure_string": "V6 P8 O32\n1.0\n3.210560 9.546703 0.000000\n-3.210560 9.546703 0.000000\n0.000000 0.405333 10.911526\nV P O\n6 8 32\ndirect\n0.000000 0.500000 0.500000 V\n0.667841 0.633693 0.251810 V\n0.332159 0.366307 0.748190 V\n0.366307 0.332159 0.248190 V\n0.633693 0.667841 0.751810 V\n0.500000 0.000000 0.000000 V\n0.421721 0.745315 0.011809 P\n0.784276 0.812972 0.747540 P\n0.187028 0.215724 0.752460 P\n0.215724 0.187028 0.252460 P\n0.745315 0.421721 0.511809 P\n0.812972 0.784276 0.247540 P\n0.578279 0.254685 0.988191 P\n0.254685 0.578279 0.488191 P\n0.304995 0.212734 0.143086 O\n0.948253 0.363458 0.508099 O\n0.333766 0.980205 0.730591 O\n0.594065 0.602774 0.613437 O\n0.765635 0.722137 0.641375 O\n0.363458 0.948253 0.008099 O\n0.050965 0.635323 0.227962 O\n0.635323 0.050965 0.727962 O\n0.636542 0.051747 0.991901 O\n0.239327 0.796375 0.026429 O\n0.364677 0.949035 0.272038 O\n0.949035 0.364677 0.772038 O\n0.633129 0.552737 0.385169 O\n0.234365 0.277863 0.358625 O\n0.366871 0.447263 0.614831 O\n0.722137 0.765635 0.141375 O\n0.666234 0.019795 0.269409 O\n0.447263 0.366871 0.114831 O\n0.760673 0.203625 0.973571 O\n0.203625 0.760673 0.473571 O\n0.277863 0.234365 0.858625 O\n0.405935 0.397226 0.386563 O\n0.019795 0.666234 0.769409 O\n0.397226 0.405935 0.886563 O\n0.787266 0.695005 0.356914 O\n0.552737 0.633129 0.885169 O\n0.212734 0.304995 0.643086 O\n0.980205 0.333766 0.230591 O\n0.796375 0.239327 0.526429 O\n0.051747 0.636542 0.491901 O\n0.695005 0.787266 0.856914 O\n0.602774 0.594065 0.113437 O\n",
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],
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},
{
"id": "mp-1213630",
"created_at": "2022-09-04T14:44:53.469489Z",
"structure_string": "In4 H10 Se6 O24\n1.0\n6.106440 0.000000 0.000000\n-3.018506 10.975009 0.000000\n-0.392554 -0.384906 11.714729\nIn H Se O\n4 10 6 24\ndirect\n0.000000 0.000000 0.500000 In\n0.707631 0.395869 0.266110 In\n0.292369 0.604131 0.733890 In\n0.000000 0.000000 0.000000 In\n0.223328 0.586666 0.091271 H\n0.776672 0.413334 0.908729 H\n0.296113 0.549806 0.395884 H\n0.703887 0.450194 0.604116 H\n0.395743 0.996969 0.162318 H\n0.604257 0.003031 0.837682 H\n0.857736 0.099777 0.545359 H\n0.142264 0.900223 0.454641 H\n0.933377 0.514211 0.238743 H\n0.066623 0.485789 0.761257 H\n0.736720 0.103216 0.239557 Se\n0.263280 0.896784 0.760443 Se\n0.413731 0.311335 0.513114 Se\n0.586269 0.688665 0.486886 Se\n0.459582 0.300058 0.992274 Se\n0.540418 0.699942 0.007726 Se\n0.777303 0.645385 0.415649 O\n0.222697 0.354615 0.584351 O\n0.779213 0.230385 0.323564 O\n0.220787 0.769615 0.676436 O\n0.807076 0.136957 0.107543 O\n0.192924 0.863043 0.892457 O\n0.435223 0.039010 0.237607 O\n0.564777 0.960990 0.762393 O\n0.861718 0.006751 0.297846 O\n0.138282 0.993249 0.702154 O\n0.370754 0.154685 0.953280 O\n0.629246 0.845315 0.046720 O\n0.454086 0.391968 0.389242 O\n0.545914 0.608032 0.610758 O\n0.672266 0.608317 0.067444 O\n0.327734 0.391683 0.932556 O\n0.381763 0.165286 0.489253 O\n0.618237 0.834714 0.510747 O\n0.243160 0.654720 0.039136 O\n0.756840 0.345280 0.960864 O\n0.685209 0.362340 0.587814 O\n0.314791 0.637660 0.412186 O\n0.459462 0.309432 0.137063 O\n0.540538 0.690568 0.862937 O\n",
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"elements": [
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"H",
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],
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"density_atomic": 0.056043784031696416,
"volume": 785.1004488760989,
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"formula_full": "In4 H10 Se6 O24",
"formula_reduced": "In2H5(SeO4)3",
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"updated_at": "2021-11-28T01:36:43.215000Z",
"spacegroup": 2
},
{
"id": "mp-34932",
"created_at": "2022-09-04T14:45:03.368705Z",
"structure_string": "Ca1 H1 N1\n1.0\n-1.772548 1.772548 2.848827\n1.772548 -1.772548 2.848827\n1.772548 1.772548 -2.848827\nCa H N\n1 1 1\ndirect\n0.946245 0.946245 0.000000 Ca\n0.360944 0.360944 0.000000 H\n0.542810 0.542810 0.000000 N\n",
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],
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"density": 2.555174732703944,
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"updated_at": "2021-11-28T01:36:48.568000Z",
"spacegroup": 107
},
{
"id": "mp-15526",
"created_at": "2022-09-04T14:44:53.488746Z",
"structure_string": "Sr8 V8 Zn8 P16 O72\n1.0\n9.146868 0.000000 0.000000\n0.000000 9.261475 0.000000\n0.000000 0.000000 17.725251\nSr V Zn P O\n8 8 8 16 72\ndirect\n0.067752 0.361989 0.100166 Sr\n0.567752 0.638011 0.399834 Sr\n0.432248 0.861989 0.899834 Sr\n0.932248 0.138011 0.600166 Sr\n0.932248 0.638011 0.899834 Sr\n0.432248 0.361989 0.600166 Sr\n0.567752 0.138011 0.100166 Sr\n0.067752 0.861989 0.399834 Sr\n0.754811 0.494383 0.211065 V\n0.254811 0.505617 0.288935 V\n0.745189 0.994383 0.788935 V\n0.245189 0.005617 0.711065 V\n0.245189 0.505617 0.788935 V\n0.745189 0.494383 0.711065 V\n0.254811 0.005617 0.211065 V\n0.754811 0.994383 0.288935 V\n0.071915 0.305502 0.436238 Zn\n0.571915 0.694498 0.063762 Zn\n0.428085 0.805502 0.563762 Zn\n0.928085 0.194498 0.936238 Zn\n0.928085 0.694498 0.563762 Zn\n0.428085 0.305502 0.936238 Zn\n0.571915 0.194498 0.436238 Zn\n0.071915 0.805502 0.063762 Zn\n0.234057 0.070211 0.011918 P\n0.734057 0.929789 0.488082 P\n0.265943 0.570211 0.988082 P\n0.765943 0.429789 0.511918 P\n0.765943 0.929789 0.988082 P\n0.265943 0.070211 0.511918 P\n0.734057 0.429789 0.011918 P\n0.234057 0.570211 0.488082 P\n0.504346 0.255759 0.271938 P\n0.004346 0.744241 0.228062 P\n0.995654 0.755759 0.728062 P\n0.495654 0.244241 0.771938 P\n0.495654 0.744241 0.728062 P\n0.995654 0.255759 0.771938 P\n0.004346 0.244241 0.271938 P\n0.504346 0.755759 0.228062 P\n0.415588 0.360139 0.321724 O\n0.915588 0.639861 0.178276 O\n0.084412 0.860139 0.678276 O\n0.584412 0.139861 0.821724 O\n0.584412 0.639861 0.678276 O\n0.084412 0.360139 0.821724 O\n0.915588 0.139861 0.321724 O\n0.415588 0.860139 0.178276 O\n0.601951 0.334154 0.213636 O\n0.101951 0.665846 0.286364 O\n0.898049 0.834154 0.786364 O\n0.398049 0.165846 0.713636 O\n0.398049 0.665846 0.786364 O\n0.898049 0.334154 0.713636 O\n0.101951 0.165846 0.213636 O\n0.601951 0.834154 0.286364 O\n0.190277 0.915423 0.989127 O\n0.690277 0.084577 0.510873 O\n0.309723 0.415423 0.010873 O\n0.809723 0.584577 0.489127 O\n0.809723 0.084577 0.010873 O\n0.309723 0.915423 0.489127 O\n0.690277 0.584577 0.989127 O\n0.190277 0.415423 0.510873 O\n0.598647 0.158204 0.327958 O\n0.098647 0.841796 0.172042 O\n0.901353 0.658204 0.672042 O\n0.736492 0.543835 0.300134 O\n0.401353 0.341796 0.827958 O\n0.901353 0.158204 0.827958 O\n0.098647 0.341796 0.327958 O\n0.598647 0.658204 0.172042 O\n0.377405 0.104943 0.966898 O\n0.877405 0.895057 0.533102 O\n0.122595 0.604943 0.033102 O\n0.622595 0.395057 0.466898 O\n0.622595 0.895057 0.033102 O\n0.122595 0.104943 0.466898 O\n0.877405 0.395057 0.966898 O\n0.377405 0.604943 0.533102 O\n0.227621 0.080801 0.596897 O\n0.727621 0.919199 0.903103 O\n0.272379 0.580801 0.403103 O\n0.772379 0.419199 0.096897 O\n0.772379 0.919199 0.403103 O\n0.272379 0.080801 0.096897 O\n0.727621 0.419199 0.596897 O\n0.227621 0.580801 0.903103 O\n0.912279 0.846562 0.277714 O\n0.412279 0.153438 0.222286 O\n0.587721 0.346562 0.722286 O\n0.087721 0.653438 0.777714 O\n0.087721 0.153438 0.722286 O\n0.587721 0.846562 0.777714 O\n0.412279 0.653438 0.277714 O\n0.912279 0.346562 0.222286 O\n0.111999 0.680421 0.505712 O\n0.611999 0.319579 0.994288 O\n0.388001 0.180421 0.494288 O\n0.888001 0.819579 0.005712 O\n0.888001 0.319579 0.494288 O\n0.388001 0.680421 0.005712 O\n0.611999 0.819579 0.505712 O\n0.111999 0.180421 0.994288 O\n0.736492 0.043835 0.199866 O\n0.236492 0.956165 0.300134 O\n0.763508 0.543835 0.800134 O\n0.263508 0.456165 0.699866 O\n0.263508 0.956165 0.800134 O\n0.763508 0.043835 0.699866 O\n0.236492 0.456165 0.199866 O\n0.401353 0.841796 0.672042 O\n",
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"density_atomic": 0.07458870351496506,
"volume": 1501.5678611108845,
"volume_molar": 8.073797339555247,
"formula_full": "Sr8 V8 Zn8 P16 O72",
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"energy": -849.1789325699999,
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},
{
"id": "mp-1204768",
"created_at": "2022-09-04T14:45:09.620491Z",
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"updated_at": "2021-11-28T01:36:51.201000Z",
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},
{
"id": "mp-1369134",
"created_at": "2022-09-04T14:44:28.492925Z",
"structure_string": "Mg2 Ti4 S10\n1.0\n3.932516 0.000000 0.000000\n0.000000 6.067630 0.000000\n0.000000 0.000000 14.809985\nMg Ti S\n2 4 10\ndirect\n0.500000 0.596846 0.000000 Mg\n0.000000 0.403154 0.500000 Mg\n0.000000 0.068184 0.849192 Ti\n0.500000 0.931816 0.650808 Ti\n0.500000 0.931816 0.349192 Ti\n0.000000 0.068184 0.150808 Ti\n0.500000 0.091734 0.500000 S\n0.000000 0.908266 0.000000 S\n0.500000 0.864137 0.817960 S\n0.000000 0.135863 0.682040 S\n0.500000 0.864137 0.182040 S\n0.000000 0.135863 0.317960 S\n0.000000 0.414498 0.107964 S\n0.500000 0.585502 0.392036 S\n0.500000 0.585502 0.607964 S\n0.000000 0.414498 0.892036 S\n",
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{
"id": "mp-1209629",
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"structure_string": "Rb4 Ho4 Mo8 O32\n1.0\n5.146608 0.000000 0.000000\n0.000000 8.198894 0.000000\n0.000000 0.000000 19.143725\nRb Ho Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.771058 Rb\n0.000000 0.250000 0.228942 Rb\n0.500000 0.250000 0.728942 Rb\n0.500000 0.750000 0.271058 Rb\n0.000000 0.750000 0.006556 Ho\n0.000000 0.250000 0.993444 Ho\n0.500000 0.250000 0.493444 Ho\n0.500000 0.750000 0.506556 Ho\n0.025215 0.515190 0.403109 Mo\n0.974785 0.484810 0.596891 Mo\n0.474785 0.015190 0.096891 Mo\n0.974785 0.984810 0.403109 Mo\n0.525215 0.984810 0.903109 Mo\n0.025215 0.015190 0.596891 Mo\n0.525215 0.484810 0.096891 Mo\n0.474785 0.515190 0.903109 Mo\n0.091193 0.975628 0.316968 O\n0.908807 0.024372 0.683032 O\n0.408807 0.475628 0.183032 O\n0.908807 0.524372 0.316968 O\n0.591193 0.524372 0.816968 O\n0.091193 0.475628 0.683032 O\n0.591193 0.024372 0.183032 O\n0.408807 0.975628 0.816968 O\n0.265879 0.839322 0.094517 O\n0.734121 0.160678 0.905483 O\n0.234121 0.339322 0.405483 O\n0.734121 0.660678 0.094517 O\n0.765879 0.660678 0.594517 O\n0.265879 0.339322 0.905483 O\n0.765879 0.160678 0.405483 O\n0.234121 0.839322 0.594517 O\n0.246908 0.506162 0.035185 O\n0.753092 0.493838 0.964815 O\n0.253092 0.006162 0.464815 O\n0.753092 0.993838 0.035185 O\n0.746908 0.993838 0.535185 O\n0.246908 0.006162 0.964815 O\n0.746908 0.493838 0.464815 O\n0.253092 0.506162 0.535185 O\n0.242163 0.688657 0.413593 O\n0.757837 0.311343 0.586407 O\n0.257837 0.188657 0.086407 O\n0.757837 0.811343 0.413593 O\n0.742163 0.811343 0.913593 O\n0.242163 0.188657 0.586407 O\n0.742163 0.311343 0.086407 O\n0.257837 0.688657 0.913593 O\n",
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}