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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=583",
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"results": [
{
"id": "jvasp-31945",
"created_at": "2022-09-04T14:37:07.125231Z",
"updated_at": "2022-09-04T14:37:07.125257Z",
"structure_string": "H16 Pd2 N4 Cl12\n1.0\n6.852939 0.000000 -0.011520\n0.000000 6.846831 0.000000\n-0.006057 0.000000 10.010517\nH Pd N Cl\n16 2 4 12\ndirect\n0.849205 0.522786 0.245341 H\n0.000000 0.000000 0.000000 H\n0.434272 0.056565 0.334174 H\n0.934273 0.443435 0.834174 H\n0.565727 0.943435 0.665826 H\n0.065728 0.556565 0.165826 H\n0.476654 0.849981 0.244379 H\n0.976654 0.650019 0.744379 H\n0.523345 0.150019 0.755621 H\n0.500000 0.500000 0.500000 H\n0.444067 0.067059 0.165112 H\n0.944066 0.432941 0.665112 H\n0.555933 0.932941 0.834889 H\n0.055933 0.567059 0.334889 H\n0.650795 0.022786 0.254659 H\n0.150794 0.477214 0.754659 H\n0.023346 0.349981 0.255621 Pd\n0.349205 0.977214 0.745341 Pd\n0.001278 0.500670 0.749604 N\n0.501279 -0.000670 0.249604 N\n-0.001279 0.499330 0.250397 N\n0.498721 0.000670 0.750397 N\n0.493219 0.495052 0.734723 Cl\n0.237007 0.719844 0.497531 Cl\n0.737007 0.780156 0.997531 Cl\n0.762993 0.280156 0.502469 Cl\n0.262993 0.219844 0.002469 Cl\n0.280407 0.236796 0.495138 Cl\n0.780407 0.263204 0.995138 Cl\n0.719592 0.763204 0.504863 Cl\n0.219592 0.736796 0.004862 Cl\n0.506781 0.504947 0.265278 Cl\n0.006780 0.995052 0.765278 Cl\n0.993219 0.004947 0.234723 Cl\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"Pd",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Pd",
"density": 2.5115842562145945,
"density_atomic": 0.07238629975192731,
"volume": 469.7021413792426,
"volume_molar": 8.319448266644764,
"formula_full": "H16 Pd2 N4 Cl12",
"formula_reduced": "H8Pd(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.4092045061764704,
"spacegroup": 1
},
{
"id": "jvasp-51765",
"created_at": "2022-09-04T14:37:03.995261Z",
"updated_at": "2022-09-04T14:37:03.995294Z",
"structure_string": "H8 Pd1 N2 Cl6\n1.0\n4.879412 4.879412 0.000000\n-0.000000 4.879412 4.879412\n4.879412 -0.000000 4.879412\nH Pd N Cl\n8 1 2 6\ndirect\n0.933839 0.688720 0.688720 H\n0.311280 0.311280 0.311280 H\n0.311280 0.066161 0.311280 H\n0.311280 0.311280 0.066161 H\n0.000000 0.000000 0.000000 H\n0.688720 0.688720 0.688720 H\n0.688720 0.933839 0.688720 H\n0.688720 0.688720 0.933839 H\n0.066161 0.311280 0.311280 Pd\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.759335 0.759335 0.240665 Cl\n0.240665 0.759335 0.759335 Cl\n0.240665 0.240665 0.759335 Cl\n0.240665 0.759335 0.240665 Cl\n0.759335 0.240665 0.240665 Cl\n0.759335 0.240665 0.759335 Cl\n",
"nsites": 17,
"nelements": 4,
"elements": [
"H",
"Pd",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Pd",
"density": 2.5386792369594304,
"density_atomic": 0.07316720343577364,
"volume": 232.34453691977777,
"volume_molar": 8.230655918517167,
"formula_full": "H8 Pd1 N2 Cl6",
"formula_reduced": "H8Pd(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.4095450944117647,
"spacegroup": 160
},
{
"id": "jvasp-52898",
"created_at": "2022-09-04T14:36:08.622935Z",
"updated_at": "2022-09-04T14:36:08.622963Z",
"structure_string": "H4 Pb4 I4 O4\n1.0\n4.228995 0.000000 0.000000\n-0.000000 7.827369 0.000000\n0.000000 0.000000 10.558936\nH Pb I O\n4 4 4 4\ndirect\n0.750001 0.194211 0.109787 H\n0.750001 0.694211 0.390213 H\n0.250000 0.805789 0.890213 H\n0.250000 0.305789 0.609788 H\n0.750001 0.316383 0.418523 Pb\n0.750001 0.816383 0.081477 Pb\n0.250000 0.683617 0.581477 Pb\n0.250000 0.183617 0.918524 Pb\n0.250000 0.452171 0.179307 I\n0.250000 0.952171 0.320693 I\n0.750001 0.547829 0.820693 I\n0.750001 0.047829 0.679307 I\n0.750001 0.118870 0.035440 O\n0.750001 0.618870 0.464560 O\n0.250000 0.881131 0.964560 O\n0.250000 0.381130 0.535440 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"Pb",
"I",
"O"
],
"chemical_system": "H-I-O-Pb",
"density": 6.672389485138566,
"density_atomic": 0.04577694917061826,
"volume": 349.5208896592334,
"volume_molar": 13.155399975552074,
"formula_full": "H4 Pb4 I4 O4",
"formula_reduced": "HPbIO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.97689264875,
"spacegroup": 62
},
{
"id": "jvasp-85663",
"created_at": "2022-09-04T14:35:50.701878Z",
"updated_at": "2022-09-04T14:35:50.701893Z",
"structure_string": "H2 Pb2 Cl2 O2\n1.0\n4.856904 2.008592 -2.487160\n-4.856904 2.008592 2.487160\n0.016399 0.000000 7.266492\nH Pb Cl O\n2 2 2 2\ndirect\n0.883825 0.116174 0.388459 H\n0.116174 0.883825 0.611541 H\n0.827958 0.172041 0.761773 Pb\n0.172041 0.827958 0.238226 Pb\n0.568259 0.431740 0.814621 Cl\n0.431740 0.568259 0.185379 Cl\n0.801975 0.198024 0.411692 O\n0.198024 0.801975 0.588308 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"H",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Pb",
"density": 6.075430489995903,
"density_atomic": 0.05636147222328188,
"volume": 141.9409338405349,
"volume_molar": 10.68485353991936,
"formula_full": "H2 Pb2 Cl2 O2",
"formula_reduced": "HPbClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.0291070968749998,
"spacegroup": 12
},
{
"id": "jvasp-52861",
"created_at": "2022-09-04T14:36:59.349962Z",
"updated_at": "2022-09-04T14:36:59.349975Z",
"structure_string": "H4 Pb4 Cl4 O4\n1.0\n4.039183 0.000000 0.000000\n-0.000000 7.105200 0.000000\n0.000000 0.000000 9.786385\nH Pb Cl O\n4 4 4 4\ndirect\n0.250000 0.720610 0.616838 H\n0.250000 0.220610 0.883163 H\n0.749999 0.279390 0.383163 H\n0.749999 0.779390 0.116838 H\n0.250000 0.294857 0.589448 Pb\n0.250000 0.794857 0.910552 Pb\n0.749999 0.705143 0.410552 Pb\n0.749999 0.205143 0.089448 Pb\n0.250000 0.056418 0.322155 Cl\n0.250000 0.556418 0.177845 Cl\n0.749999 0.943582 0.677845 Cl\n0.749999 0.443582 0.822156 Cl\n0.250000 0.630289 0.541145 O\n0.250000 0.130289 0.958856 O\n0.749999 0.369711 0.458856 O\n0.749999 0.869711 0.041145 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Pb",
"density": 6.140766391734091,
"density_atomic": 0.056967590195837664,
"volume": 280.86145025613246,
"volume_molar": 10.571169921876049,
"formula_full": "H4 Pb4 Cl4 O4",
"formula_reduced": "HPbClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.029007096875,
"spacegroup": 62
},
{
"id": "jvasp-104016",
"created_at": "2022-09-04T14:36:59.112224Z",
"updated_at": "2022-09-04T14:36:59.112240Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973967 -0.064699 -0.191753\n-0.919159 4.233797 -0.089296\n-0.186036 0.059752 12.961570\nH Pb C O\n12 1 8 4\ndirect\n0.492284 0.231820 0.543036 H\n0.056319 0.139378 0.575433 H\n0.027195 0.157686 0.161534 H\n0.598678 0.089511 0.199154 H\n0.402528 0.713297 0.451408 H\n0.254662 0.190097 0.351757 H\n0.172713 0.680450 0.260357 H\n0.746294 0.612761 0.298806 H\n0.944668 0.663564 0.075152 H\n0.508643 0.570821 0.107498 H\n0.974049 0.645310 0.489054 H\n0.828275 0.122506 0.390229 H\n0.000634 0.901373 0.825279 Pb\n0.379820 0.538101 0.658254 C\n0.273583 0.335934 0.560404 C\n0.177276 0.525078 0.468179 C\n0.051553 0.311825 0.371979 C\n0.949460 0.491091 0.278597 C\n0.823868 0.277817 0.182393 C\n0.727498 0.466894 0.090156 C\n0.621571 0.264680 0.992306 C\n0.228780 0.448111 0.741760 O\n0.609942 0.794077 0.656258 O\n0.772936 0.354628 0.908852 O\n0.391425 0.008706 -0.005742 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.90060292206495,
"density_atomic": 0.11510826267464452,
"volume": 217.18684149254278,
"volume_molar": 5.231718922751605,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312785928,
"spacegroup": 2
},
{
"id": "jvasp-101980",
"created_at": "2022-09-04T14:37:00.428186Z",
"updated_at": "2022-09-04T14:37:00.428217Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290900 0.112344 0.392515\n1.449612 7.644517 1.746538\n0.030209 0.037943 10.788385\nH Pb C O\n16 2 12 8\ndirect\n0.321115 0.837530 0.317204 H\n0.871772 0.127373 0.699498 H\n0.869499 0.625721 0.700306 H\n0.779177 0.360064 0.660422 H\n0.781863 0.858467 0.660466 H\n0.296699 0.857749 0.550032 H\n0.369112 0.125333 0.593674 H\n0.367581 0.626044 0.593398 H\n0.295818 0.357048 0.550089 H\n0.822952 0.837199 0.424144 H\n0.894955 0.106207 0.467435 H\n0.893843 0.605495 0.467519 H\n0.411555 0.103162 0.357130 H\n0.408610 0.604786 0.357104 H\n0.318996 0.335845 0.318012 H\n0.821620 0.337922 0.423837 H\n0.093020 0.481858 0.009030 Pb\n0.097651 0.981384 0.008520 Pb\n0.674500 0.242469 0.681758 C\n0.467916 0.248828 0.802829 C\n0.466331 0.750473 0.802410 C\n0.487214 0.238108 0.568686 C\n0.487027 0.738315 0.568632 C\n0.674321 0.741868 0.681909 C\n0.724270 0.712639 0.215155 C\n0.703510 0.724926 0.448913 C\n0.516261 0.220749 0.335770 C\n0.516233 0.721357 0.335636 C\n0.722832 0.214315 0.214703 C\n0.703543 0.225137 0.448834 C\n0.550717 0.636152 0.905365 O\n0.979171 0.595435 0.217797 O\n0.980056 0.098964 0.216234 O\n0.639983 0.826896 0.112159 O\n0.635066 0.329035 0.112285 O\n0.211366 0.867623 0.799827 O\n0.210746 0.364209 0.801341 O\n0.555629 0.133986 0.905196 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316836071739772,
"density_atomic": 0.10802370306431003,
"volume": 351.774646878911,
"volume_molar": 5.574832735010781,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394882358947368,
"spacegroup": 2
},
{
"id": "jvasp-104018",
"created_at": "2022-09-04T14:37:00.583152Z",
"updated_at": "2022-09-04T14:37:00.583174Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.516236 -0.096829 -0.274757\n-1.852455 7.674776 -0.435164\n-0.097144 -0.119935 10.433766\nH Pb C O\n16 2 12 8\ndirect\n0.705154 0.823242 0.693314 H\n0.079190 0.134920 0.299205 H\n0.092344 0.645724 0.289072 H\n0.096609 0.353149 0.345060 H\n0.095858 0.857514 0.347652 H\n0.636153 0.897357 0.455871 H\n0.620724 0.177749 0.402480 H\n0.618980 0.679110 0.400875 H\n0.631634 0.397110 0.451880 H\n0.178486 0.789851 0.581537 H\n0.165857 0.071844 0.530517 H\n0.161304 0.571605 0.526538 H\n0.700898 0.115790 0.637300 H\n0.701608 0.611443 0.634733 H\n0.718369 0.334028 0.683155 H\n0.176789 0.291205 0.579921 H\n0.941933 0.490445 0.989186 Pb\n0.855636 0.978549 0.993222 Pb\n0.240758 0.264346 0.318879 C\n0.362506 0.324818 0.193469 C\n0.392251 0.852104 0.201892 C\n0.476799 0.264840 0.430720 C\n0.477943 0.766713 0.431641 C\n0.248558 0.775372 0.319052 C\n0.405291 0.616870 0.780517 C\n0.319517 0.702248 0.550765 C\n0.556783 0.204605 0.663499 C\n0.548931 0.693593 0.663345 C\n0.435132 0.144149 0.788928 C\n0.320701 0.204111 0.551673 C\n0.228365 0.822542 0.091881 O\n0.131226 0.524181 0.768624 O\n0.182709 0.031928 0.789632 O\n0.569199 0.646487 0.890524 O\n0.615751 0.203771 0.893891 O\n0.666350 0.944742 0.213796 O\n0.614991 0.436997 0.192799 O\n0.181938 0.265247 0.088484 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.247650551493625,
"density_atomic": 0.10577044847657294,
"volume": 359.26859106035283,
"volume_molar": 5.693594805295585,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394828148421052,
"spacegroup": 2
},
{
"id": "jvasp-101981",
"created_at": "2022-09-04T14:37:02.063863Z",
"updated_at": "2022-09-04T14:37:02.063899Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290954 0.110635 0.392233\n1.450933 7.645815 1.749500\n0.029888 0.036346 10.787396\nH Pb C O\n16 2 12 8\ndirect\n0.314605 0.832934 0.317396 H\n0.865447 0.123171 0.699685 H\n0.868259 0.625274 0.698645 H\n0.778384 0.355875 0.659656 H\n0.774833 0.857891 0.659622 H\n0.291814 0.854423 0.549342 H\n0.363543 0.123679 0.592676 H\n0.365331 0.622776 0.593048 H\n0.293083 0.355312 0.549234 H\n0.817505 0.835433 0.423004 H\n0.889781 0.102877 0.466816 H\n0.891019 0.603787 0.466716 H\n0.404445 0.102351 0.356401 H\n0.407985 0.600315 0.356451 H\n0.317469 0.335053 0.316353 H\n0.819365 0.334509 0.423377 H\n0.094343 0.478827 0.007704 Pb\n0.088532 0.979365 0.008355 Pb\n0.670536 0.239393 0.681170 C\n0.462370 0.248279 0.801603 C\n0.464341 0.746129 0.802164 C\n0.483216 0.235851 0.567879 C\n0.483302 0.735587 0.567969 C\n0.670649 0.740137 0.680993 C\n0.718525 0.712028 0.213903 C\n0.699533 0.722624 0.448087 C\n0.512343 0.218815 0.334880 C\n0.512193 0.718062 0.335066 C\n0.720518 0.209888 0.214453 C\n0.699667 0.222347 0.448172 C\n0.552559 0.631259 0.904468 O\n0.975990 0.596966 0.215260 O\n0.975004 0.092449 0.217215 O\n0.630350 0.826885 0.111586 O\n0.636748 0.324174 0.111413 O\n0.206850 0.861170 0.800825 O\n0.207878 0.365711 0.798860 O\n0.546152 0.133961 0.904627 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
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"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316186819761636,
"density_atomic": 0.10800255803290568,
"volume": 351.84351826576506,
"volume_molar": 5.575924190763338,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.3948813063157885,
"spacegroup": 2
},
{
"id": "jvasp-112191",
"created_at": "2022-09-04T14:38:44.105376Z",
"updated_at": "2022-09-04T14:38:44.105401Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.996250 -0.251134 -0.348763\n-0.481280 4.711320 -0.310853\n0.513128 1.090021 16.233324\nH Pb C O\n20 1 12 4\ndirect\n0.648471 0.486773 0.377566 H\n0.989567 0.389032 0.479233 H\n0.146031 0.280780 0.901520 H\n0.544941 0.269641 0.950954 H\n0.384374 0.496362 0.778858 H\n0.799878 0.495543 0.819067 H\n0.603351 0.690241 0.646040 H\n0.019241 0.689542 0.686391 H\n0.816522 0.865229 0.510957 H\n0.229559 0.852586 0.551448 H\n0.023702 0.013960 0.372807 H\n0.422621 -0.032937 0.414921 H\n0.292362 0.822703 0.896231 H\n0.700532 0.800755 0.938709 H\n0.511846 0.026424 0.759471 H\n0.929423 0.026547 0.799307 H\n0.743242 0.219014 0.620674 H\n0.160248 0.215094 0.660357 H\n0.251888 0.506775 0.327745 H\n0.403378 0.367247 0.518045 H\n0.857298 0.854120 0.151052 Pb\n0.203922 0.429473 0.024713 C\n0.347181 0.404702 0.941476 C\n0.487489 0.683779 0.900454 C\n0.596971 0.627131 0.814287 C\n0.714454 0.894734 0.765260 C\n0.818738 0.823443 0.679830 C\n0.256299 0.128895 0.404299 C\n0.038563 -0.004821 0.543170 C\n0.174499 0.241389 0.487656 C\n0.423908 0.356679 0.347044 C\n0.531445 0.229956 0.269106 C\n0.941104 0.082865 0.627781 C\n-0.021738 0.229202 0.045436 O\n0.765711 0.367403 0.229063 O\n0.388094 -0.022860 0.246572 O\n0.310514 0.651829 0.070180 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
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"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3624837049451095,
"density_atomic": 0.12087832882208244,
"volume": 306.09291475612065,
"volume_molar": 4.981985454864972,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670674454594595,
"spacegroup": 1
},
{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3893858103010124,
"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
"volume_molar": 4.925893258698682,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670607427567568,
"spacegroup": 2
},
{
"id": "jvasp-112192",
"created_at": "2022-09-04T14:38:44.727054Z",
"updated_at": "2022-09-04T14:38:44.727078Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.382146615316522,
"density_atomic": 0.11015075626009942,
"volume": 344.98174402244183,
"volume_molar": 5.467180584561667,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.3949981484210525,
"spacegroup": 2
}
]
}