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{
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"results": [
{
"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",
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"elements": [
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],
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"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
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"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670607427567568,
"spacegroup": 2
},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
"nsites": 37,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9920270042642596,
"density_atomic": 0.13028099547960598,
"volume": 284.0015142944769,
"volume_molar": 4.622424581444574,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.59571739864865,
"spacegroup": 2
},
{
"id": "jvasp-112225",
"created_at": "2022-09-04T14:38:47.054411Z",
"updated_at": "2022-09-04T14:38:47.054436Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.934230 0.107820 0.108805\n0.864238 4.247128 0.327416\n0.182309 -0.054297 17.237840\nCd H C O\n1 20 12 4\ndirect\n0.142620 0.869914 0.859101 Cd\n0.000092 0.724713 0.533426 H\n0.025394 0.204228 0.607217 H\n0.492815 0.199148 0.015477 H\n0.631390 0.208198 0.189979 H\n0.209744 0.236287 0.155932 H\n0.393630 0.213372 0.326971 H\n0.964762 0.257341 0.295272 H\n0.183447 0.210605 0.466577 H\n0.750874 0.253904 0.437211 H\n0.894564 0.172901 0.059229 H\n0.590347 0.217923 0.583755 H\n0.654851 0.720211 0.110563 H\n0.247720 0.721756 0.071437 H\n0.430643 0.725475 0.251183 H\n0.006124 0.759729 0.217405 H\n0.212470 0.725371 0.392673 H\n0.781739 0.767713 0.361982 H\n0.790758 0.740352 0.670823 H\n0.371148 0.671980 0.664398 H\n0.564784 0.747904 0.508438 H\n0.792388 0.501298 0.961777 C\n0.666623 0.342181 0.034596 C\n0.485216 0.564635 0.095834 C\n0.394082 0.379658 0.169797 C\n0.243444 0.585935 0.236596 C\n0.157145 0.392236 0.309473 C\n0.772599 0.367277 0.594808 C\n0.943657 0.389085 0.451022 C\n0.814304 0.579347 0.521772 C\n0.648256 0.551201 0.666778 C\n0.710485 0.357073 0.743989 C\n0.020390 0.589973 0.378598 C\n0.063049 0.359518 0.925378 O\n0.530529 0.448100 0.803939 O\n0.959311 0.106429 0.745834 O\n0.637768 0.786469 0.938882 O\n",
"nsites": 37,
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"elements": [
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],
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"density": 1.9752693283979776,
"density_atomic": 0.12918502304092402,
"volume": 286.4109099417733,
"volume_molar": 4.6616400401866,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
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"spacegroup": 1
},
{
"id": "jvasp-112140",
"created_at": "2022-09-04T14:38:45.117419Z",
"updated_at": "2022-09-04T14:38:45.117445Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n3.983200 -0.246057 -0.122974\n-1.628679 4.459806 0.303924\n0.365134 1.535071 16.730411\nZn H C O\n1 20 12 4\ndirect\n0.750278 0.952725 0.153803 Zn\n0.172287 0.396382 0.470728 H\n0.042673 0.056819 0.360902 H\n0.259272 0.215904 0.968504 H\n0.137166 0.473058 0.800222 H\n0.507693 0.371868 0.826937 H\n0.415389 0.635224 0.649395 H\n-0.218449 0.534965 0.680854 H\n0.717872 0.841509 0.503423 H\n0.075385 0.729527 0.534438 H\n-0.081297 0.361042 0.963489 H\n0.397253 -0.054620 0.394216 H\n0.344620 0.873463 0.894636 H\n0.725268 0.785494 0.916995 H\n0.577991 0.016669 0.747800 H\n-0.051921 -0.078089 0.778134 H\n0.865647 0.192073 0.609418 H\n0.226088 0.084224 0.639743 H\n0.493034 0.613155 0.327499 H\n0.843558 0.513015 0.367929 H\n0.527923 0.284014 0.502174 H\n0.309820 0.518701 0.052564 C\n0.215349 0.429790 0.969200 C\n0.437043 0.682229 0.900814 C\n0.420749 0.566628 0.819850 C\n0.669608 0.824898 0.755673 C\n0.690088 0.727258 0.673647 C\n0.306660 0.136887 0.389953 C\n-0.012301 -0.076761 0.530172 C\n0.259862 0.202522 0.474595 C\n0.583408 0.421852 0.337273 C\n0.685036 0.367489 0.255967 C\n-0.046705 -0.002026 0.614347 C\n0.213932 0.308859 0.113673 O\n0.859625 0.595984 0.202348 O\n0.603484 0.084829 0.247125 O\n0.498762 0.806418 0.056915 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "C-H-O-Zn",
"density": 1.6868001186376123,
"density_atomic": 0.12797391937502292,
"volume": 289.1214098989408,
"volume_molar": 4.705756289570483,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
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"spacegroup": 1
},
{
"id": "jvasp-29231",
"created_at": "2022-09-04T14:35:53.369767Z",
"updated_at": "2022-09-04T14:35:53.369779Z",
"structure_string": "Mg3 P2 H16 O16\n1.0\n4.609940 -0.002900 -0.730138\n-1.682606 7.781641 -2.239064\n-0.023015 0.093756 8.269776\nMg P H O\n3 2 16 16\ndirect\n0.000000 0.387080 0.612921 Mg\n-0.000000 0.612920 0.387080 Mg\n0.000000 0.000000 0.000000 Mg\n0.385028 0.314240 0.314240 P\n0.614972 0.685761 0.685761 P\n0.489700 0.827853 0.429947 H\n0.489700 0.429947 0.827854 H\n0.636247 0.207887 0.043465 H\n0.363753 0.956536 0.792114 H\n0.363753 0.792113 0.956536 H\n0.718139 0.178465 0.749141 H\n0.959712 0.318315 0.061259 H\n0.040288 0.938741 0.681685 H\n0.040288 0.681685 0.938742 H\n0.959712 0.061259 0.318315 H\n0.510300 0.570053 0.172147 H\n0.281862 0.250860 0.821536 H\n0.281861 0.821535 0.250860 H\n0.510301 0.172147 0.570054 H\n0.718138 0.749141 0.178465 H\n0.636248 0.043465 0.207887 H\n0.190710 0.015094 0.785547 O\n0.190708 0.785546 0.015094 O\n0.621138 0.842814 0.842814 O\n0.378862 0.157187 0.157187 O\n0.285923 0.602255 0.602255 O\n0.226919 0.441560 0.244283 O\n0.773082 0.558440 0.755718 O\n0.226919 0.244283 0.441561 O\n0.773081 0.755718 0.558440 O\n0.809292 0.214454 0.984907 O\n0.715856 0.174555 0.628215 O\n0.284145 0.371786 0.825446 O\n0.715855 0.628214 0.174555 O\n0.809291 0.984906 0.214454 O\n0.714077 0.397746 0.397746 O\n0.284144 0.825445 0.371786 O\n",
"nsites": 37,
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],
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"density_atomic": 0.12433944953719286,
"volume": 297.5724931847348,
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"formula_full": "Mg3 P2 H16 O16",
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},
{
"id": "jvasp-96995",
"created_at": "2022-09-04T14:36:02.293945Z",
"updated_at": "2022-09-04T14:36:02.293969Z",
"structure_string": "Na4 Bi10 Au2 O22\n1.0\n3.924996 -0.000000 -0.000000\n0.000000 12.380168 -0.000000\n0.000000 0.000000 12.380168\nNa Bi Au O\n4 10 2 22\ndirect\n0.000000 0.205632 0.294368 Na\n0.000000 0.705632 0.205632 Na\n0.000000 0.294368 0.794368 Na\n0.000000 0.794368 0.705632 Na\n0.500000 0.952173 0.229213 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.547827 0.729213 Bi\n0.500000 0.047827 0.770787 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.270787 0.547827 Bi\n0.500000 0.770787 0.952173 Bi\n0.500000 0.229213 0.047827 Bi\n0.500000 0.729213 0.452173 Bi\n0.500000 0.452173 0.270787 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.889230 0.120694 O\n0.500000 0.500000 0.000000 O\n0.000000 0.389230 0.379306 O\n0.000000 0.673015 0.003632 O\n0.000000 0.120694 0.110770 O\n0.500000 0.212251 0.712251 O\n0.500000 0.000000 0.500000 O\n0.000000 0.379306 0.610770 O\n0.000000 0.326985 0.996369 O\n0.000000 0.826985 0.503632 O\n0.000000 0.496368 0.826985 O\n0.000000 0.879306 0.889230 O\n0.000000 0.996369 0.673015 O\n0.500000 0.287749 0.212251 O\n0.500000 0.787749 0.287749 O\n0.000000 0.503632 0.173015 O\n0.000000 0.110770 0.879306 O\n0.000000 0.003632 0.326985 O\n0.000000 0.620694 0.389230 O\n0.000000 0.173015 0.496368 O\n0.500000 0.712251 0.787749 O\n0.000000 0.610770 0.620694 O\n",
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],
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"formula_full": "Na4 Bi10 Au2 O22",
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},
{
"id": "jvasp-61446",
"created_at": "2022-09-04T14:35:55.137960Z",
"updated_at": "2022-09-04T14:35:55.137990Z",
"structure_string": "Ho4 Al6 Co28\n1.0\n4.163834 -7.211954 0.000000\n4.163818 7.211945 0.000000\n-0.000000 -0.000000 8.133905\nHo Al Co\n4 6 28\ndirect\n0.666660 0.333330 0.250000 Ho\n-0.000004 -0.000003 0.750000 Ho\n0.000004 0.000003 0.250000 Ho\n0.333339 0.666670 0.750000 Ho\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.333333 0.666667 0.109126 Co\n0.675138 0.837569 0.517215 Co\n0.162431 0.837569 0.517213 Co\n0.162431 0.324863 0.517213 Co\n0.324862 0.162431 0.017215 Co\n0.837568 0.162432 0.017213 Co\n0.837568 0.675137 0.017213 Co\n0.324862 0.162431 0.482785 Co\n0.837568 0.675137 0.482787 Co\n0.837568 0.162432 0.482787 Co\n0.675138 0.837569 0.982786 Co\n0.162431 0.324863 0.982788 Co\n0.044736 0.674533 0.250000 Co\n0.325463 0.370216 0.250000 Co\n0.629795 0.955258 0.250000 Co\n0.674536 0.629784 0.750000 Co\n0.370204 0.044743 0.750000 Co\n0.955263 0.629796 0.750000 Co\n0.674536 0.044753 0.750000 Co\n0.370204 0.325463 0.750000 Co\n0.044736 0.370204 0.250000 Co\n0.325463 0.955248 0.250000 Co\n0.629795 0.674537 0.250000 Co\n0.333333 0.666667 0.390875 Co\n0.666666 0.333333 0.890875 Co\n0.666666 0.333333 0.609126 Co\n0.162431 0.837569 0.982788 Co\n0.955263 0.325467 0.750000 Co\n",
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{
"id": "jvasp-98535",
"created_at": "2022-09-04T14:35:53.432469Z",
"updated_at": "2022-09-04T14:35:53.432495Z",
"structure_string": "Ti6 Bi8 O24\n1.0\n5.345229 -0.000000 -0.881230\n0.000081 5.459604 0.000492\n0.030972 0.012257 16.839621\nTi Bi O\n6 8 24\ndirect\n0.005336 0.481418 0.003287 Ti\n0.132146 0.471478 0.257647 Ti\n0.369667 0.976898 0.741262 Ti\n0.871594 0.476899 0.741262 Ti\n0.625500 0.971478 0.257647 Ti\n0.497951 0.981418 0.003287 Ti\n0.929403 0.019143 0.866390 Bi\n0.569601 0.515255 0.132598 Bi\n0.285835 0.520299 0.575033 Bi\n0.062996 0.015255 0.132598 Bi\n0.201850 0.026720 0.419464 Bi\n0.789198 0.020299 0.575033 Bi\n0.717614 0.526719 0.419464 Bi\n0.436987 0.519143 0.866390 Bi\n0.198731 0.159502 0.987609 O\n0.500209 0.760716 0.498491 O\n0.827146 0.235537 0.222609 O\n0.000773 0.757181 0.499190 O\n0.288878 0.659502 0.987609 O\n0.127062 0.468132 0.363422 O\n0.160394 0.234664 0.777816 O\n0.498281 0.260717 0.498491 O\n0.431395 0.652333 0.252420 O\n0.586780 0.674794 0.754076 O\n0.861053 0.478033 0.636202 O\n0.998417 0.257181 0.499190 O\n0.736360 0.968132 0.363422 O\n0.511201 0.938648 0.887308 O\n0.895464 0.735537 0.222609 O\n0.136702 0.433909 0.120547 O\n0.876107 0.438649 0.887308 O\n0.667296 0.174794 0.754076 O\n0.483844 0.933908 0.120547 O\n0.321025 0.152333 0.252420 O\n0.275149 0.978032 0.636202 O\n0.724869 0.237637 0.023427 O\n0.117421 0.734664 0.777816 O\n0.798557 0.737636 0.023427 O\n",
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],
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"volume": 491.57683637388084,
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"formula_full": "Ti6 Bi8 O24",
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{
"id": "jvasp-97538",
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