HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=583",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=581",
"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-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-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-112221",
"created_at": "2022-09-04T14:38:46.907344Z",
"updated_at": "2022-09-04T14:38:46.907370Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.917629 -0.110511 -0.386702\n-1.141250 4.404507 -0.182024\n-0.063411 -0.085450 12.984944\nH Pb C O\n12 1 8 4\ndirect\n0.071794 0.922857 0.538900 H\n0.513399 0.945084 0.580000 H\n0.293741 0.809084 0.160737 H\n0.743273 0.835684 0.201531 H\n0.983715 0.392586 0.450904 H\n0.171712 0.857024 0.350151 H\n0.105687 0.338490 0.260669 H\n0.555156 0.371261 0.302289 H\n0.213616 0.283141 0.072447 H\n0.655207 0.305383 0.113570 H\n0.433262 0.419198 0.491670 H\n0.621208 0.889854 0.391756 H\n0.863535 0.114104 0.826218 Pb\n0.128078 0.637344 0.657810 C\n0.250680 0.780029 0.560183 C\n0.249677 0.555580 0.468989 C\n0.357722 0.721995 0.372488 C\n0.369189 0.506321 0.279943 C\n0.477304 0.672698 0.183440 C\n0.476331 0.448199 0.092264 C\n0.598984 0.590804 -0.005369 C\n0.229896 0.805198 0.745308 O\n0.923217 0.369133 0.652392 O\n0.497090 0.422912 0.907140 O\n0.803976 0.858961 0.000035 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.835001227379747,
"density_atomic": 0.1125049083698263,
"volume": 222.21252709988408,
"volume_molar": 5.3527804673232655,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312537928,
"spacegroup": 2
},
{
"id": "jvasp-112231",
"created_at": "2022-09-04T14:38:47.135234Z",
"updated_at": "2022-09-04T14:38:47.135262Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973550 -0.082197 -0.188020\n-0.897760 4.237805 -0.082016\n-0.193053 0.036372 12.959467\nH Pb C O\n12 1 8 4\ndirect\n0.489076 0.236134 0.543409 H\n0.053121 0.143475 0.575839 H\n0.022995 0.161652 0.161910 H\n0.594626 0.093718 0.199687 H\n0.398927 0.717475 0.451774 H\n0.250998 0.194189 0.352134 H\n0.168771 0.684486 0.260707 H\n0.742505 0.617041 0.299314 H\n0.940262 0.667724 0.075600 H\n0.504335 0.575033 0.108061 H\n0.970540 0.649616 0.489533 H\n0.824731 0.126757 0.390740 H\n0.996677 0.905554 0.825733 Pb\n0.376176 0.542226 0.658680 C\n0.270223 0.340116 0.560811 C\n0.173746 0.529305 0.468598 C\n0.047917 0.316011 0.372414 C\n0.945592 0.495228 0.279034 C\n0.819765 0.281920 0.182855 C\n0.723191 0.471072 0.090645 C\n0.617184 0.268915 0.992786 C\n0.224853 0.452269 0.742169 O\n0.606296 0.798141 0.656709 O\n0.768533 0.358802 0.909296 O\n0.387007 0.013042 -0.005233 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.9013262017270884,
"density_atomic": 0.11513696548836075,
"volume": 217.13269838197414,
"volume_molar": 5.23041469301949,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312793928,
"spacegroup": 2
},
{
"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
},
{
"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",
"Pb",
"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-112211",
"created_at": "2022-09-04T14:38:46.700872Z",
"updated_at": "2022-09-04T14:38:46.700897Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.728836 -0.107218 -0.418973\n-0.525296 5.550421 -0.194993\n0.122626 0.516385 14.882531\nH Pb C O\n20 1 12 4\ndirect\n0.634251 0.552160 0.381348 H\n0.972058 0.401201 0.496888 H\n0.404825 0.176948 0.927409 H\n0.032774 0.443463 0.059787 H\n0.460026 0.434618 0.762998 H\n0.922661 0.429693 0.797081 H\n0.611671 0.695755 0.621532 H\n0.066549 0.664437 0.655406 H\n0.781927 0.948450 0.486335 H\n0.230575 0.898841 0.517993 H\n0.959419 0.171944 0.350287 H\n0.390478 0.097562 0.381727 H\n0.374169 0.636064 0.906514 H\n0.844465 0.685319 0.936732 H\n0.556286 0.893218 0.769658 H\n0.016289 0.882672 0.803047 H\n0.758371 0.151235 0.635923 H\n0.213010 0.114559 0.667163 H\n0.207677 0.613339 0.334542 H\n0.420362 0.345253 0.526687 H\n0.770376 0.960303 0.106878 Pb\n0.824232 0.304511 0.028877 C\n0.609379 0.323988 0.953359 C\n0.627713 0.557682 0.901848 C\n0.695615 0.535398 0.802489 C\n0.780182 0.785932 0.762225 C\n0.853831 0.781093 0.663231 C\n0.217711 0.241611 0.388452 C\n0.031894 0.025431 0.527021 C\n0.164635 0.270427 0.488091 C\n0.384007 0.468334 0.342858 C\n0.471748 0.399088 0.251084 C\n0.966272 0.032154 0.626544 C\n0.229354 0.788060 0.068055 O\n0.797452 0.790426 0.243803 O\n0.362938 0.201468 0.213628 O\n0.703621 0.541828 0.206435 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.348186698576382,
"density_atomic": 0.12014681129525547,
"volume": 307.9565708079771,
"volume_molar": 5.012318425331202,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.675878238378379,
"spacegroup": 1
},
{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.875007763954805,
"density_atomic": 0.1140925379228939,
"volume": 219.12037767882347,
"volume_molar": 5.278295031064949,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5315517928,
"spacegroup": 1
}
]
}