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{
"id": "jvasp-47897",
"created_at": "2022-09-04T14:36:50.849869Z",
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"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.620807 4.070036 0.000000\n-2.620807 4.070036 0.000000\n0.000000 0.000000 5.943863\nLi Co Si O\n2 2 2 8\ndirect\n0.332030 0.332030 0.750000 Li\n0.667971 0.667971 0.250000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.342170 0.342170 0.250000 Si\n0.657831 0.657831 0.750000 Si\n0.272721 0.771001 0.750000 O\n0.229000 0.727280 0.250000 O\n0.232300 0.232300 0.025157 O\n0.232300 0.232300 0.474842 O\n0.767701 0.767701 0.525157 O\n0.767701 0.767701 0.974842 O\n0.727280 0.229000 0.250000 O\n0.771001 0.272721 0.750000 O\n",
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{
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"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
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{
"id": "jvasp-112358",
"created_at": "2022-09-04T14:38:26.137711Z",
"updated_at": "2022-09-04T14:38:26.137733Z",
"structure_string": "Li4 Ti4 Cr4 O16\n1.0\n4.950625 0.000011 -0.000001\n-0.000031 9.571740 -0.000007\n-0.000002 0.000003 5.926722\nLi Ti Cr O\n4 4 4 16\ndirect\n0.559924 0.966907 0.125000 Li\n0.559925 0.966907 0.625000 Li\n0.940074 0.466907 0.125000 Li\n0.940075 0.466907 0.624999 Li\n0.504890 0.643328 0.124999 Ti\n0.504890 0.643328 0.625000 Ti\n0.995109 0.143328 0.125000 Ti\n0.995109 0.143328 0.624999 Ti\n0.008287 0.862041 0.875000 Cr\n0.491714 0.362041 0.375000 Cr\n0.008287 0.862041 0.374999 Cr\n0.491714 0.362041 0.874999 Cr\n0.205569 0.214401 0.875000 O\n0.205570 0.214401 0.375000 O\n0.720411 0.285074 0.624999 O\n0.720411 0.285075 0.125000 O\n0.779589 0.785074 0.625000 O\n0.779588 0.785074 0.125000 O\n0.788624 0.037273 0.875000 O\n0.309391 0.457974 0.624999 O\n0.711376 0.537272 0.875000 O\n0.711376 0.537273 0.374999 O\n0.190610 0.957974 0.625000 O\n0.190610 0.957974 0.124999 O\n0.294431 0.714402 0.375000 O\n0.309390 0.457974 0.125000 O\n0.788623 0.037273 0.375000 O\n0.294430 0.714401 0.875000 O\n",
"nsites": 28,
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{
"id": "jvasp-112639",
"created_at": "2022-09-04T14:38:42.354639Z",
"updated_at": "2022-09-04T14:38:42.354672Z",
"structure_string": "Sr2 Ca2 Pb2 O8\n1.0\n3.472213 -0.000000 0.000000\n0.000000 6.039183 0.047416\n-0.000000 0.008256 10.032165\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.424422 0.184849 Sr\n0.500000 0.575578 0.815151 Sr\n0.500000 0.927458 0.322776 Ca\n0.500000 0.072542 0.677224 Ca\n-0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.121486 0.203637 O\n-0.000000 0.878514 0.796363 O\n-0.000000 0.652053 0.306272 O\n-0.000000 0.347947 0.693728 O\n0.500000 0.262287 0.449254 O\n0.500000 0.737713 0.550745 O\n0.500000 0.766488 0.047000 O\n0.500000 0.233513 0.953000 O\n",
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{
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"created_at": "2022-09-04T14:35:49.776405Z",
"updated_at": "2022-09-04T14:35:49.776425Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.743638 0.000000 0.000000\n-0.000000 6.109250 0.000000\n0.000000 0.000000 10.444246\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.469965 0.750001 0.218985 Mn\n0.030034 0.750001 0.718986 Mn\n0.969966 0.250000 0.281014 Mn\n0.530035 0.250000 0.781015 Mn\n0.088449 0.250000 0.590923 P\n0.411550 0.250000 0.090924 P\n0.911551 0.750001 0.409077 P\n0.588450 0.750001 0.909076 P\n0.278363 0.047817 0.160972 O\n0.734905 0.250000 0.093836 O\n0.221638 0.452181 0.660972 O\n0.786254 0.750001 0.546623 O\n0.213746 0.250000 0.453378 O\n0.286255 0.250000 0.953378 O\n0.713746 0.750001 0.046623 O\n0.234903 0.750001 0.406165 O\n0.721637 0.952182 0.839028 O\n0.721637 0.547818 0.839028 O\n0.265096 0.750001 0.906164 O\n0.221638 0.047817 0.660972 O\n0.278363 0.452181 0.160972 O\n0.778362 0.547818 0.339028 O\n0.778362 0.952182 0.339028 O\n0.765097 0.250000 0.593837 O\n",
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"density_atomic": 0.09250847079390186,
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"formula_full": "Li4 Mn4 P4 O16",
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},
{
"id": "jvasp-47509",
"created_at": "2022-09-04T14:37:04.738317Z",
"updated_at": "2022-09-04T14:37:04.738337Z",
"structure_string": "Li1 Fe1 P1 O4\n1.0\n0.000000 4.816762 0.000000\n2.408381 -2.408380 3.674526\n4.816762 -0.000000 0.000000\nLi Fe P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.750000 0.500001 0.749999 P\n0.444410 0.259519 0.060112 O\n0.680369 0.740482 0.444409 O\n0.815109 0.259519 0.680369 O\n0.060113 0.740482 0.815108 O\n",
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"formula_full": "Li1 Fe1 P1 O4",
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},
{
"id": "jvasp-117418",
"created_at": "2022-09-04T14:38:26.549355Z",
"updated_at": "2022-09-04T14:38:26.549385Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n4.928550 -0.210895 -2.904454\n-1.647691 4.643355 -2.914670\n0.065844 0.210895 5.720325\nLi V Co O\n2 2 2 8\ndirect\n0.372226 0.122226 0.250000 Li\n0.627773 0.877773 0.750000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.499999 -0.000000 V\n-0.000000 0.499999 -0.000000 Co\n-0.000000 0.000000 0.500001 Co\n0.212083 0.738657 0.473426 O\n0.765230 0.738656 0.026574 O\n0.758930 0.735400 0.476470 O\n0.758931 0.282461 0.023530 O\n0.241068 0.717538 0.976471 O\n0.241069 0.264599 0.523530 O\n0.234769 0.261343 0.973427 O\n0.787916 0.261342 0.526574 O\n",
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"formula_full": "Li2 V2 Co2 O8",
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{
"id": "jvasp-36133",
"created_at": "2022-09-04T14:38:26.713637Z",
"updated_at": "2022-09-04T14:38:26.713659Z",
"structure_string": "Sn4 P4 O16 F4\n1.0\n6.450310 0.000000 0.000000\n0.000000 7.196389 0.000000\n0.000000 0.000000 7.809678\nSn P O F\n4 4 16 4\ndirect\n0.750000 0.252137 0.876256 Sn\n0.750000 0.247863 0.376256 Sn\n0.250000 0.747863 0.123744 Sn\n0.250000 0.752137 0.623744 Sn\n0.750000 0.865364 0.125208 P\n0.750000 0.634636 0.625208 P\n0.250000 0.134636 0.874793 P\n0.250000 0.365364 0.374792 P\n0.250000 0.484355 0.211010 O\n0.250000 0.015646 0.711010 O\n0.750000 0.515646 0.788990 O\n0.750000 0.984355 0.288990 O\n0.938833 0.765825 0.624881 O\n0.561167 0.734175 0.124881 O\n0.438833 0.234175 0.375119 O\n0.061167 0.265825 0.875120 O\n0.561167 0.765825 0.624881 O\n0.438833 0.265825 0.875120 O\n0.938833 0.734175 0.124881 O\n0.250000 0.485278 0.539381 O\n0.250000 0.014722 0.039380 O\n0.750000 0.514722 0.460620 O\n0.750000 0.985278 0.960620 O\n0.061167 0.234175 0.375119 O\n0.250000 0.649623 0.873657 F\n0.750000 0.350377 0.126343 F\n0.750000 0.149623 0.626343 F\n0.250000 0.850377 0.373657 F\n",
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{
"id": "jvasp-47661",
"created_at": "2022-09-04T14:37:18.919380Z",
"updated_at": "2022-09-04T14:37:18.919406Z",
"structure_string": "Li4 Co4 Sn4 O16\n1.0\n6.047705 0.000000 0.000000\n0.000000 6.047705 -0.000000\n-0.000000 0.000000 8.540879\nLi Co Sn O\n4 4 4 16\ndirect\n0.000000 0.203021 0.000000 Li\n0.000000 0.796980 0.500000 Li\n0.203021 0.000000 0.250000 Li\n0.796980 0.000000 0.750000 Li\n0.253637 0.253637 0.625000 Co\n0.253637 0.746364 0.875000 Co\n0.746364 0.253637 0.375000 Co\n0.746364 0.746364 0.125000 Co\n0.776527 0.500000 0.750000 Sn\n0.500000 0.776527 0.500000 Sn\n0.500000 0.223474 0.000000 Sn\n0.223474 0.500000 0.250000 Sn\n0.747806 0.006769 0.502381 O\n0.747806 0.993232 -0.002381 O\n0.743004 0.482077 0.994722 O\n0.743004 0.517923 0.505278 O\n0.517923 0.743004 0.744722 O\n0.517923 0.256997 0.755278 O\n0.482077 0.743004 0.255278 O\n0.993232 0.747806 0.252381 O\n0.256997 0.517923 0.494722 O\n0.256997 0.482077 0.005278 O\n0.252195 0.006769 0.497619 O\n0.252195 0.993232 0.002381 O\n0.006769 0.252195 0.752381 O\n0.993232 0.252195 0.247619 O\n0.482077 0.256997 0.244722 O\n0.006769 0.747806 0.747619 O\n",
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"formula_full": "Li4 Co4 Sn4 O16",
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"spacegroup": 95
},
{
"id": "jvasp-43052",
"created_at": "2022-09-04T14:38:05.554826Z",
"updated_at": "2022-09-04T14:38:05.554851Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.939422 -0.171251 0.017274\n-1.049742 -5.030730 -0.128996\n-1.719636 0.161524 -5.674280\nLi Fe P O\n2 2 2 8\ndirect\n0.725411 0.688619 0.039841 Li\n0.274590 0.311381 -0.039840 Li\n0.012151 0.790319 0.623128 Fe\n-0.012152 0.209682 0.376873 Fe\n0.345815 0.808092 0.228402 P\n0.654184 0.191909 0.771599 P\n0.206347 0.631225 0.398868 O\n0.317107 0.147955 0.684183 O\n0.728638 0.326501 0.014956 O\n0.239555 0.076259 0.202212 O\n0.760445 0.923742 0.797789 O\n0.271363 0.673499 -0.014955 O\n0.682893 0.852045 0.315818 O\n0.793653 0.368776 0.601133 O\n",
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"formula_full": "Li2 Fe2 P2 O8",
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},
{
"id": "jvasp-8650",
"created_at": "2022-09-04T14:37:05.479338Z",
"updated_at": "2022-09-04T14:37:05.479358Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.964368 -0.000000 -0.000001\n-2.482183 3.314886 2.482184\n0.000001 -0.000000 4.964368\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698017 0.762981 0.435603 O\n0.801417 0.237020 0.698016 O\n0.435604 0.237020 0.064964 O\n0.064965 0.762981 0.801416 O\n",
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"formula_full": "Li1 Cu1 P1 O4",
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"spacegroup": 82
},
{
"id": "jvasp-50709",
"created_at": "2022-09-04T14:35:52.704375Z",
"updated_at": "2022-09-04T14:35:52.704401Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n0.000000 7.808902 0.072711\n5.291983 0.000000 0.000000\n0.000000 -2.096183 -8.122209\nLi Cu P O\n4 4 4 16\ndirect\n0.036690 0.856157 0.928817 Li\n0.503386 0.320132 0.722427 Li\n0.036689 0.143843 0.428817 Li\n0.503386 0.679868 0.222427 Li\n0.120026 0.333469 0.798783 Cu\n0.623736 0.830756 0.606073 Cu\n0.120026 0.666530 0.298783 Cu\n0.623736 0.169243 0.106073 Cu\n0.260624 0.182278 0.179528 P\n0.752397 0.336600 0.480512 P\n0.260624 0.817722 0.679528 P\n0.752397 0.663400 0.980512 P\n0.423109 0.338753 0.164061 O\n0.779194 0.198635 0.324351 O\n0.309653 0.905982 0.232853 O\n0.179452 0.306520 0.311238 O\n0.683534 0.608668 0.437395 O\n0.944074 0.321956 0.592624 O\n0.622366 0.193884 0.559574 O\n0.683534 0.391332 0.937395 O\n0.423109 0.661246 0.664061 O\n0.779194 0.801364 0.824352 O\n0.309654 0.094018 0.732853 O\n0.179452 0.693479 0.811238 O\n0.622365 0.806116 0.059574 O\n0.122959 0.181150 0.007965 O\n0.122959 0.818850 0.507965 O\n0.944074 0.678043 0.092624 O\n",
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"formula_full": "Li4 Cu4 P4 O16",
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"spacegroup": 7
}
]
}