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{
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},
{
"id": "mp-685991",
"created_at": "2022-09-04T14:46:32.223537Z",
"structure_string": "Li10 Si2 P6\n1.0\n2.959757 6.404360 0.000000\n-2.959757 6.404360 0.000000\n0.000000 2.870057 8.124342\nLi Si P\n10 2 6\ndirect\n0.397375 0.914517 0.421046 Li\n0.785370 0.217468 0.272247 Li\n0.085487 0.565878 0.078321 Li\n0.441059 0.912072 0.908394 Li\n0.914517 0.397375 0.921046 Li\n0.084554 0.594906 0.582026 Li\n0.217468 0.785370 0.772247 Li\n0.565878 0.085487 0.578321 Li\n0.912072 0.441059 0.408394 Li\n0.594906 0.084554 0.082026 Li\n0.677548 0.323137 0.695638 Si\n0.323137 0.677548 0.195638 Si\n0.035673 0.964023 0.038540 P\n0.671873 0.644030 0.672173 P\n0.964023 0.035673 0.538540 P\n0.332173 0.354701 0.325625 P\n0.644030 0.671873 0.172173 P\n0.354701 0.332173 0.825625 P\n",
"nsites": 18,
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"elements": [
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"Si",
"P"
],
"chemical_system": "Li-P-Si",
"density": 1.6789996040714616,
"density_atomic": 0.05844165681637698,
"volume": 307.99948154371793,
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"formula_full": "Li10 Si2 P6",
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},
{
"id": "mp-558568",
"created_at": "2022-09-04T14:46:31.744745Z",
"structure_string": "Rb16 Cd8 Si8 O32\n1.0\n5.586280 -5.821786 0.000000\n5.586280 5.821786 0.000000\n0.000000 0.000000 16.936795\nRb Cd Si O\n16 8 8 32\ndirect\n0.257569 0.756000 0.140560 Rb\n0.957705 0.957705 0.000000 Rb\n0.257820 0.248354 0.109422 Rb\n0.548089 0.052310 0.261993 Rb\n0.248354 0.257820 0.890578 Rb\n0.742180 0.751646 0.609422 Rb\n0.446412 0.446412 0.500000 Rb\n0.742431 0.244000 0.640560 Rb\n0.756000 0.257569 0.859440 Rb\n0.947690 0.451911 0.238007 Rb\n0.451911 0.947690 0.761993 Rb\n0.553588 0.553588 0.000000 Rb\n0.244000 0.742431 0.359440 Rb\n0.052310 0.548089 0.738007 Rb\n0.751646 0.742180 0.390578 Rb\n0.042295 0.042295 0.500000 Rb\n0.731125 0.228154 0.093875 Cd\n0.268875 0.771846 0.593875 Cd\n0.228154 0.731125 0.906125 Cd\n0.771846 0.268875 0.406125 Cd\n0.752496 0.771330 0.156552 Cd\n0.228670 0.247504 0.343448 Cd\n0.247504 0.228670 0.656552 Cd\n0.771330 0.752496 0.843448 Cd\n0.987152 0.516927 0.004594 Si\n0.516927 0.987152 0.995406 Si\n0.517610 0.482390 0.250000 Si\n0.989594 0.010406 0.250000 Si\n0.012848 0.483073 0.504594 Si\n0.483073 0.012848 0.495406 Si\n0.010406 0.989594 0.750000 Si\n0.482390 0.517610 0.750000 Si\n0.447580 0.313497 0.741355 O\n0.193321 0.048613 0.248713 O\n0.611439 0.415994 0.330302 O\n0.686503 0.552420 0.758645 O\n0.411625 0.073113 0.583027 O\n0.193095 0.540113 0.004872 O\n0.098204 0.918373 0.668847 O\n0.552420 0.686503 0.241355 O\n0.415994 0.611439 0.669698 O\n0.063667 0.683652 0.512254 O\n0.459887 0.806905 0.495128 O\n0.907831 0.622276 0.077974 O\n0.092169 0.377724 0.577974 O\n0.622276 0.907831 0.922026 O\n0.806905 0.459887 0.504872 O\n0.901796 0.081627 0.168847 O\n0.918373 0.098204 0.331153 O\n0.081627 0.901796 0.831153 O\n0.951387 0.806679 0.251287 O\n0.588375 0.926887 0.083027 O\n0.377724 0.092169 0.422026 O\n0.540113 0.193095 0.995128 O\n0.313497 0.447580 0.258645 O\n0.584006 0.388561 0.169698 O\n0.926887 0.588375 0.916973 O\n0.936333 0.316348 0.012254 O\n0.048613 0.193321 0.751287 O\n0.073113 0.411625 0.416973 O\n0.388561 0.584006 0.830302 O\n0.806679 0.951387 0.748713 O\n0.683652 0.063667 0.487746 O\n0.316348 0.936333 0.987746 O\n",
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],
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"density": 4.527177754377787,
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"volume": 1101.6411856310685,
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"formula_full": "Rb16 Cd8 Si8 O32",
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{
"id": "mp-1228642",
"created_at": "2022-09-04T14:46:32.007085Z",
"structure_string": "Ba18 Ca6 Mo8 N32\n1.0\n0.000000 -10.124695 -0.005234\n-10.594237 0.000000 0.000000\n0.000000 -0.006236 -12.171252\nBa Ca Mo N\n18 6 8 32\ndirect\n0.622119 0.028559 0.645343 Ba\n0.877881 0.528559 0.354658 Ba\n0.119792 0.960811 0.860371 Ba\n0.380208 0.460811 0.139629 Ba\n0.377412 0.972136 0.354501 Ba\n0.122588 0.472136 0.645499 Ba\n0.880471 0.037321 0.145463 Ba\n0.619529 0.537321 0.854537 Ba\n0.302470 0.769153 0.617826 Ba\n0.197530 0.269153 0.382174 Ba\n0.794837 0.229595 0.885078 Ba\n0.705163 0.729595 0.114922 Ba\n0.694983 0.232226 0.378705 Ba\n0.805017 0.732226 0.621295 Ba\n0.195175 0.766338 0.116604 Ba\n0.304825 0.266338 0.883396 Ba\n0.964200 0.124454 0.609387 Ba\n0.535800 0.624454 0.390613 Ba\n0.467476 0.881818 0.899529 Ca\n0.032524 0.381818 0.100471 Ca\n0.033042 0.879124 0.393524 Ca\n0.466958 0.379124 0.606476 Ca\n0.530154 0.114595 0.101409 Ca\n0.969846 0.614595 0.898591 Ca\n0.298838 0.093678 0.619536 Mo\n0.201162 0.593678 0.380464 Mo\n0.782272 0.900491 0.887016 Mo\n0.717728 0.400491 0.112984 Mo\n0.712682 0.910701 0.375736 Mo\n0.787318 0.410701 0.624264 Mo\n0.214705 0.094239 0.120394 Mo\n0.285295 0.594239 0.879606 Mo\n0.188337 0.990442 0.530547 N\n0.311663 0.490442 0.469453 N\n0.668763 0.000171 0.974658 N\n0.831237 0.500171 0.025342 N\n0.833995 0.012650 0.450544 N\n0.666005 0.512650 0.549456 N\n0.325417 0.993047 0.030654 N\n0.174583 0.493047 0.969346 N\n0.428112 0.169039 0.528479 N\n0.071888 0.669039 0.471521 N\n0.913980 0.822990 0.976229 N\n0.586020 0.322990 0.023771 N\n0.585052 0.850742 0.476700 N\n0.914948 0.350742 0.523300 N\n0.085679 0.170779 0.029631 N\n0.414321 0.670779 0.970369 N\n0.376818 0.986840 0.726238 N\n0.123182 0.486840 0.273762 N\n0.867903 0.007972 0.787771 N\n0.632097 0.507972 0.212229 N\n0.627199 0.013154 0.270253 N\n0.872801 0.513154 0.729747 N\n0.128997 0.988736 0.224398 N\n0.371003 0.488736 0.775602 N\n0.195907 0.217422 0.689302 N\n0.304093 0.717422 0.310698 N\n0.671501 0.788408 0.810628 N\n0.828499 0.288408 0.189372 N\n0.813064 0.782225 0.309859 N\n0.686936 0.282225 0.690141 N\n0.326595 0.210141 0.191895 N\n0.173405 0.710141 0.808105 N\n",
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{
"id": "mp-763869",
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"structure_string": "Li10 Fe5 Co3 O16\n1.0\n5.977172 0.000000 0.000000\n-2.977005 5.195025 0.000000\n-0.026086 -0.148429 9.832539\nLi Fe Co O\n10 5 3 16\ndirect\n0.622418 0.814003 0.946656 Li\n0.209857 0.818522 0.945232 Li\n0.214051 0.399653 0.945389 Li\n0.349125 0.675802 0.726615 Li\n0.012020 0.013439 0.015604 Li\n0.009593 0.008289 0.511718 Li\n0.818163 0.617469 0.446502 Li\n0.410935 0.210915 0.443804 Li\n0.683150 0.348798 0.226802 Li\n0.822695 0.206433 0.441555 Li\n0.354209 0.692974 0.469285 Fe\n0.678005 0.352348 0.971871 Fe\n0.183279 0.356196 0.214550 Fe\n0.846164 0.182903 0.714394 Fe\n0.351891 0.182017 0.712806 Fe\n0.674254 0.846679 0.211610 Co\n0.845717 0.674070 0.713102 Co\n0.181403 0.847606 0.213276 Co\n0.679767 0.853012 0.588798 O\n0.512310 0.996783 0.336562 O\n0.361348 0.683976 0.098935 O\n0.501330 0.518072 0.339365 O\n0.187684 0.855069 0.586294 O\n0.020646 0.023845 0.825564 O\n0.992811 0.013852 0.319207 O\n0.034257 0.521036 0.340511 O\n0.834660 0.682870 0.090063 O\n0.180007 0.342403 0.592026 O\n0.997463 0.497792 0.843374 O\n0.518752 0.499737 0.837912 O\n0.677698 0.336070 0.593753 O\n0.848410 0.187062 0.091795 O\n0.522487 0.030752 0.837273 O\n0.345550 0.189790 0.088134 O\n",
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{
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"structure_string": "H24 C4 I4 N4\n1.0\n7.153778 0.000000 0.000000\n0.000000 7.239055 0.000000\n0.000000 0.000000 8.891353\nH C I N\n24 4 4 4\ndirect\n0.250000 0.167209 0.167664 H\n0.750000 0.832791 0.832336 H\n0.250000 0.667209 0.832336 H\n0.750000 0.332791 0.167664 H\n0.368226 0.965967 0.165913 H\n0.631774 0.034033 0.834087 H\n0.868226 0.034033 0.834087 H\n0.131774 0.965967 0.165913 H\n0.131774 0.465967 0.834087 H\n0.868226 0.534033 0.165913 H\n0.631774 0.534033 0.165913 H\n0.368226 0.465967 0.834087 H\n0.250000 0.885668 0.413281 H\n0.750000 0.114332 0.586719 H\n0.250000 0.385668 0.586719 H\n0.750000 0.614332 0.413281 H\n0.124568 0.099761 0.415627 H\n0.875432 0.900239 0.584373 H\n0.624568 0.900239 0.584373 H\n0.375432 0.099761 0.415627 H\n0.375432 0.599761 0.584373 H\n0.624568 0.400239 0.415627 H\n0.875432 0.400239 0.415627 H\n0.124568 0.599761 0.584373 H\n0.250000 0.029256 0.375320 C\n0.750000 0.970744 0.624680 C\n0.250000 0.529256 0.624680 C\n0.750000 0.470744 0.375320 C\n0.250000 0.027235 0.809831 I\n0.750000 0.972765 0.190169 I\n0.250000 0.527235 0.190169 I\n0.750000 0.472765 0.809831 I\n0.250000 0.031794 0.207785 N\n0.750000 0.968206 0.792215 N\n0.250000 0.531794 0.792215 N\n0.750000 0.468206 0.207785 N\n",
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{
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"structure_string": "Ta2 Zn4 W2 O12\n1.0\n5.538942 0.000000 0.000000\n0.000000 5.412086 0.000000\n0.000000 5.361201 7.884536\nTa Zn W O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.991495 0.250610 0.743915 Zn\n0.491495 0.749390 0.756085 Zn\n0.008505 0.749390 0.256085 Zn\n0.508505 0.250610 0.243915 Zn\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.327281 0.733737 0.573742 O\n0.827281 0.266263 0.926258 O\n0.672719 0.266263 0.426258 O\n0.172719 0.733737 0.073742 O\n0.187568 0.397778 0.440254 O\n0.687568 0.602222 0.059746 O\n0.812432 0.602222 0.559746 O\n0.312432 0.397778 0.940254 O\n0.461816 0.127169 0.739089 O\n0.961816 0.872831 0.760911 O\n0.038184 0.127169 0.239089 O\n0.538184 0.872831 0.260911 O\n",
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