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{
"id": "jvasp-112139",
"created_at": "2022-09-04T14:38:45.406115Z",
"updated_at": "2022-09-04T14:38:45.406141Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n",
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{
"id": "jvasp-112135",
"created_at": "2022-09-04T14:38:45.026251Z",
"updated_at": "2022-09-04T14:38:45.026283Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.088383 0.144292 0.434496\n1.239432 4.274930 0.452984\n0.486638 0.221650 15.694326\nZn H C O\n1 18 11 4\ndirect\n0.074529 -0.008742 0.156887 Zn\n0.055169 0.762383 0.493711 H\n0.219304 0.282194 0.410305 H\n0.795853 0.217939 0.927851 H\n0.721958 0.241255 0.725446 H\n0.122654 0.164908 0.765685 H\n0.991134 0.245853 0.568868 H\n0.404041 0.155373 0.603551 H\n0.476575 0.654973 0.523904 H\n0.418531 0.268506 0.879103 H\n0.179630 0.827324 0.931004 H\n0.544311 0.751209 0.985025 H\n0.503542 0.760761 0.791894 H\n0.898185 0.683052 0.834517 H\n0.794478 0.746275 0.644825 H\n0.203603 0.654076 0.681357 H\n0.287022 0.816856 0.342807 H\n0.727021 0.668614 0.361348 H\n0.645137 0.174855 0.438082 H\n0.199020 0.507603 0.042271 C\n0.378550 0.633988 0.962121 C\n0.583053 0.396958 0.897349 C\n0.720737 0.566878 0.816668 C\n0.899436 0.357428 0.743361 C\n0.415930 0.379275 0.426477 C\n0.176854 0.354186 0.586118 C\n0.280872 0.556158 0.507798 C\n0.504001 0.598822 0.349867 C\n0.590565 0.449855 0.264873 C\n0.017897 0.546103 0.663939 C\n0.289973 0.208173 0.060551 O\n0.832368 0.180851 0.262180 O\n0.430333 0.583234 0.200735 O\n0.962252 0.701600 0.087329 O\n",
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"formula_full": "Zn1 H18 C11 O4",
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{
"id": "jvasp-98902",
"created_at": "2022-09-04T14:36:01.328333Z",
"updated_at": "2022-09-04T14:36:01.328359Z",
"structure_string": "Ca10 P12 Pd12\n1.0\n4.118191 -0.000003 0.000001\n-0.000005 8.154886 -0.000000\n0.000004 0.000000 19.274739\nCa P Pd\n10 12 12\ndirect\n0.499998 0.992201 0.181771 Ca\n0.999999 0.001219 0.629734 Ca\n0.499998 0.492202 0.818229 Ca\n0.499999 0.507799 0.181771 Ca\n-0.000001 0.998782 0.370266 Ca\n0.499999 0.007799 0.818229 Ca\n0.000001 -0.000000 -0.000000 Ca\n-0.000001 0.498781 0.629734 Ca\n0.999998 0.501219 0.370265 Ca\n-0.000001 0.500000 0.000000 Ca\n0.499999 0.250000 0.942020 P\n-0.000000 0.250000 0.126204 P\n-0.000002 0.750000 0.873797 P\n-0.000001 0.750000 0.244860 P\n0.499998 0.750000 0.426695 P\n0.499999 0.250000 0.573305 P\n0.999999 0.250000 0.755140 P\n0.499999 0.750000 0.576489 P\n-0.000000 0.250000 0.241776 P\n-0.000001 0.750000 0.758224 P\n0.499998 0.750000 0.057980 P\n0.499998 0.250000 0.423511 P\n0.499999 0.500000 0.500000 Pd\n0.499999 0.000000 0.500000 Pd\n-0.000001 0.750000 0.501253 Pd\n0.499998 0.750001 0.699056 Pd\n0.499999 0.750001 0.305748 Pd\n0.500000 0.250000 0.066775 Pd\n0.499999 0.250000 0.300944 Pd\n0.999998 0.250001 0.879269 Pd\n0.499998 0.250000 0.694253 Pd\n0.999997 0.750001 0.120731 Pd\n-0.000000 0.250000 0.498747 Pd\n0.499998 0.750001 0.933225 Pd\n",
"nsites": 34,
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"elements": [
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],
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"density_atomic": 0.05252499644279527,
"volume": 647.3108482173672,
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"formula_full": "Ca10 P12 Pd12",
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{
"id": "jvasp-98642",
"created_at": "2022-09-04T14:35:52.011345Z",
"updated_at": "2022-09-04T14:35:52.011363Z",
"structure_string": "Na6 Ga2 P4 H4 O18\n1.0\n7.677393 3.590018 -0.867649\n-7.677393 3.590018 0.867649\n0.020146 -0.000000 7.036580\nNa Ga P H O\n6 2 4 4 18\ndirect\n0.234250 0.234250 -0.000000 Na\n0.765750 0.765750 0.000000 Na\n0.386679 0.613322 0.288456 Na\n0.613322 0.386679 0.711544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.881474 0.118527 0.300773 P\n0.118527 0.881473 0.699227 P\n0.619271 0.380730 0.226740 P\n0.380730 0.619271 0.773261 P\n0.942331 0.057670 0.611930 H\n0.057670 0.942331 0.388070 H\n0.812252 0.187749 0.813792 H\n0.187749 0.812251 0.186208 H\n0.651691 0.991252 0.237879 O\n0.116541 0.883459 0.470315 O\n0.883459 0.116541 0.529685 O\n0.026561 0.973440 0.760958 O\n0.973440 0.026560 0.239042 O\n0.348310 0.008748 0.762121 O\n0.991253 0.651691 0.762121 O\n0.008748 0.348309 0.237879 O\n0.520466 0.479535 0.219802 O\n0.176380 0.467604 0.886061 O\n0.467604 0.176380 0.113939 O\n0.823621 0.532397 0.113939 O\n0.332929 0.667071 0.571232 O\n0.667071 0.332929 0.428768 O\n0.479535 0.520466 0.780199 O\n0.759471 0.240529 0.878970 O\n0.532397 0.823620 0.886061 O\n0.240530 0.759471 0.121030 O\n",
"nsites": 34,
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"formula_full": "Na6 Ga2 P4 H4 O18",
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{
"id": "jvasp-88755",
"created_at": "2022-09-04T14:36:04.574178Z",
"updated_at": "2022-09-04T14:36:04.574194Z",
"structure_string": "Ga10 Ge1 Pb3 O20\n1.0\n4.991126 0.007225 1.347539\n1.924641 9.263648 2.753244\n0.020979 -0.008667 9.853896\nGa Ge Pb O\n10 1 3 20\ndirect\n0.165291 0.577655 0.149856 Ga\n0.834710 0.422346 0.850144 Ga\n0.165291 0.149856 0.577655 Ga\n0.500000 0.633098 0.366902 Ga\n0.500000 0.366902 0.633098 Ga\n0.659178 0.993657 0.721432 Ga\n0.340823 0.278568 0.006343 Ga\n0.340823 0.006344 0.278568 Ga\n0.659178 0.721432 0.993656 Ga\n0.834710 0.850144 0.422345 Ga\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.329667 0.723200 0.723200 Pb\n0.670334 0.276800 0.276800 Pb\n0.103857 0.684292 0.455508 O\n0.896143 0.544492 0.315708 O\n0.010593 0.007512 0.719339 O\n0.989408 0.280661 0.992488 O\n0.989408 0.992489 0.280661 O\n0.010593 0.719339 0.007512 O\n0.434530 0.661722 0.172962 O\n0.565471 0.827038 0.338278 O\n0.565471 0.338279 0.827038 O\n0.497883 0.904356 0.904356 O\n0.649265 0.604909 0.876200 O\n0.350736 0.123801 0.395091 O\n0.350736 0.395091 0.123800 O\n0.649265 0.876200 0.604909 O\n0.502118 0.095644 0.095644 O\n0.103857 0.455508 0.684292 O\n0.615062 0.566837 0.566837 O\n0.384939 0.433163 0.433163 O\n0.434530 0.172962 0.661722 O\n0.896144 0.315708 0.544492 O\n",
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"formula_full": "Ga10 Ge1 Pb3 O20",
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{
"id": "jvasp-98076",
"created_at": "2022-09-04T14:36:05.216715Z",
"updated_at": "2022-09-04T14:36:05.216749Z",
"structure_string": "Ba8 Ti4 Pt2 O20\n1.0\n5.816645 0.000000 -0.000000\n-2.908323 6.754937 -0.000000\n0.000000 -0.000000 13.187861\nBa Ti Pt O\n8 4 2 20\ndirect\n0.530601 0.061202 0.140670 Ba\n0.765637 0.531271 0.892407 Ba\n0.265636 0.531271 0.607593 Ba\n0.969401 0.938799 0.640670 Ba\n0.030601 0.061202 0.359330 Ba\n0.734365 0.468729 0.392407 Ba\n0.469400 0.938799 0.859330 Ba\n0.234365 0.468729 0.107593 Ba\n0.136802 0.273604 0.844520 Ti\n0.363199 0.726397 0.344520 Ti\n0.863199 0.726397 0.155480 Ti\n0.636802 0.273604 0.655480 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.229585 0.459170 0.347384 O\n0.384511 0.221039 0.537956 O\n0.884511 0.221039 0.962044 O\n0.770416 0.540831 0.652616 O\n0.836529 0.221039 0.537956 O\n0.336528 0.221039 0.962044 O\n0.627504 0.755006 0.250000 O\n0.535535 0.071070 0.347898 O\n0.615490 0.778962 0.462044 O\n0.163473 0.778962 0.462044 O\n0.964466 0.928930 0.847898 O\n0.729586 0.459170 0.152616 O\n0.372498 0.244995 0.750000 O\n0.872498 0.244995 0.750000 O\n0.663473 0.778962 0.037956 O\n0.035535 0.071070 0.152102 O\n0.270416 0.540831 0.847383 O\n0.464466 0.928930 0.652102 O\n0.127503 0.755006 0.250000 O\n0.115490 0.778962 0.037956 O\n",
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{
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"created_at": "2022-09-04T14:36:52.015442Z",
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"structure_string": "H14 C16 N2 O2\n1.0\n3.943758 -0.022926 -0.059886\n0.264318 8.443982 3.751592\n-0.258349 0.124833 9.166822\nH C N O\n14 16 2 2\ndirect\n0.118438 0.643461 0.764139 H\n0.232682 0.975788 0.117375 H\n0.232681 0.475788 0.617374 H\n0.697319 0.806582 0.678649 H\n0.806257 0.639018 0.532653 H\n0.806257 0.139018 0.032652 H\n0.918676 0.164686 0.764497 H\n0.697318 0.306582 0.178649 H\n0.412979 0.219200 0.458118 H\n0.412981 0.719200 0.958118 H\n0.698365 0.310368 0.591515 H\n0.698368 0.810368 0.091515 H\n0.118438 0.143461 0.264139 H\n0.918678 0.664684 0.264498 H\n0.528490 0.795786 0.314599 C\n0.324606 0.935665 0.242889 C\n0.324604 0.435666 0.742890 C\n0.261147 0.030019 0.324376 C\n0.261148 0.530019 0.824377 C\n0.485575 0.078717 0.698159 C\n0.485575 0.578717 0.198157 C\n0.528489 0.295786 0.814598 C\n0.586505 0.341139 0.057346 C\n0.405020 0.487000 0.979675 C\n0.646626 0.747677 0.474534 C\n0.646624 0.247678 0.974534 C\n0.586506 0.841138 0.557346 C\n0.664115 0.217414 0.712782 C\n0.664116 0.717416 0.212784 C\n0.405020 0.987000 0.479674 C\n0.406877 0.603245 0.042746 N\n0.406877 0.103246 0.542748 N\n0.445038 0.450896 0.316423 O\n0.445040 0.950897 0.816422 O\n",
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{
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"created_at": "2022-09-04T14:36:51.718880Z",
"updated_at": "2022-09-04T14:36:51.718899Z",
"structure_string": "H12 C20 S2\n1.0\n3.872408 -0.201292 -0.178256\n-2.260916 5.974279 -0.880971\n0.050157 -0.142653 14.647069\nH C S\n12 20 2\ndirect\n0.232606 0.815177 0.004202 H\n0.900558 0.351625 0.403655 H\n0.580335 0.623125 0.692093 H\n0.508815 0.511892 0.353413 H\n0.723383 0.167726 0.096388 H\n0.392808 0.704323 0.496045 H\n0.116093 0.007539 0.146785 H\n0.845689 0.000448 0.969992 H\n0.045694 0.896487 0.808195 H\n0.779940 0.519091 0.530251 H\n0.014470 0.160133 0.260852 H\n0.608894 0.359144 0.239141 H\n0.381743 0.263376 0.705553 C\n0.812561 0.166683 0.393266 C\n0.026453 0.822755 0.137277 C\n0.543512 0.450219 0.661650 C\n0.879104 0.056362 0.311686 C\n0.094408 0.713143 0.055592 C\n0.648259 0.393180 0.573738 C\n0.636299 0.044915 0.462556 C\n0.848728 0.701735 0.206661 C\n0.568296 0.162013 0.547670 C\n0.811628 0.352691 0.106819 C\n0.988458 0.474524 0.037600 C\n0.530534 0.806309 0.444596 C\n0.744800 0.462968 0.188370 C\n0.598216 0.696655 0.362883 C\n0.243713 0.256178 0.794678 C\n0.056800 0.357478 0.952522 C\n0.082160 0.069349 0.838601 C\n0.977208 0.126352 0.926490 C\n0.775478 0.817622 0.293439 C\n0.265020 0.504564 0.864956 S\n0.360004 0.014936 0.635231 S\n",
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{
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