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{
"id": "jvasp-45746",
"created_at": "2022-09-04T14:37:59.374524Z",
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"structure_string": "Na4 Sm2 P2 C2 O14\n1.0\n0.000000 5.083361 -0.034965\n7.042960 0.000000 0.000000\n0.000000 -0.066064 -9.461473\nNa Sm P C O\n4 2 2 2 14\ndirect\n0.243767 0.489047 0.202720 Na\n0.243767 0.010953 0.202720 Na\n0.756234 0.510953 0.797280 Na\n0.756234 0.989047 0.797280 Na\n0.776258 0.750000 0.387433 Sm\n0.223743 0.250000 0.612568 Sm\n0.706692 0.250000 0.406260 P\n0.293308 0.750000 0.593741 P\n0.747690 0.750000 0.089333 C\n0.252311 0.250000 0.910668 C\n0.456786 0.250000 0.823938 O\n0.156899 0.929313 0.651525 O\n0.156899 0.570687 0.651525 O\n0.731863 0.250000 0.572383 O\n0.593459 0.750000 0.623849 O\n0.406542 0.250000 0.376152 O\n0.975996 0.750000 0.152782 O\n0.843101 0.429313 0.348475 O\n0.843101 0.070687 0.348475 O\n0.543214 0.750000 0.176062 O\n0.024004 0.250000 0.847219 O\n0.279794 0.250000 0.043060 O\n0.268138 0.750000 0.427617 O\n0.720207 0.750000 0.956940 O\n",
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{
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"created_at": "2022-09-04T14:38:09.049029Z",
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"structure_string": "K4 Cr2 P2 C2 O14\n1.0\n0.000000 5.500074 -0.035356\n6.612280 0.000000 0.000000\n0.000000 0.000968 -9.625883\nK Cr P C O\n4 2 2 2 14\ndirect\n0.244153 0.473264 0.244786 K\n0.244153 0.026736 0.244786 K\n0.755847 0.526736 0.755214 K\n0.755847 0.973264 0.755214 K\n0.773267 0.750000 0.356296 Cr\n0.226732 0.250000 0.643704 Cr\n0.722499 0.250000 0.432269 P\n0.277500 0.750000 0.567731 P\n0.725952 0.750000 0.103892 C\n0.274047 0.250000 0.896109 C\n0.454471 0.250000 0.804237 O\n0.229508 0.940816 0.658075 O\n0.229508 0.559184 0.658075 O\n0.892192 0.250000 0.560117 O\n0.550333 0.750000 0.520957 O\n0.449667 0.250000 0.479044 O\n0.936999 0.750000 0.167735 O\n0.770492 0.440816 0.341925 O\n0.770492 0.059184 0.341925 O\n0.545529 0.750000 0.195763 O\n0.063001 0.250000 0.832265 O\n0.302477 0.250000 0.023883 O\n0.107808 0.750000 0.439883 O\n0.697523 0.750000 0.976117 O\n",
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{
"id": "jvasp-45745",
"created_at": "2022-09-04T14:37:33.570827Z",
"updated_at": "2022-09-04T14:37:33.570848Z",
"structure_string": "Na4 In2 P2 C2 O14\n1.0\n0.000000 5.220797 -0.031242\n6.768189 0.000000 0.000000\n0.000000 -0.014234 -9.122734\nNa In P C O\n4 2 2 2 14\ndirect\n0.229512 0.496528 0.214771 Na\n0.229512 0.003472 0.214771 Na\n0.770489 0.503472 0.785228 Na\n0.770489 0.996528 0.785228 Na\n0.779580 0.750000 0.365491 In\n0.220421 0.250000 0.634509 In\n0.715763 0.250000 0.419494 P\n0.284238 0.750000 0.580506 P\n0.716719 0.750000 0.076479 C\n0.283282 0.250000 0.923520 C\n0.472349 0.250000 0.824843 O\n0.187020 0.933863 0.663086 O\n0.187020 0.566138 0.663086 O\n0.815536 0.250000 0.580331 O\n0.585349 0.750000 0.573120 O\n0.414652 0.250000 0.426879 O\n0.946928 0.750000 0.132404 O\n0.812982 0.433863 0.336913 O\n0.812982 0.066137 0.336913 O\n0.527652 0.750000 0.175156 O\n0.053074 0.250000 0.867596 O\n0.328727 0.250000 0.058840 O\n0.184465 0.750000 0.419668 O\n0.671274 0.750000 0.941160 O\n",
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{
"id": "jvasp-46819",
"created_at": "2022-09-04T14:38:05.761484Z",
"updated_at": "2022-09-04T14:38:05.761514Z",
"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
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{
"id": "jvasp-44367",
"created_at": "2022-09-04T14:38:06.444545Z",
"updated_at": "2022-09-04T14:38:06.444584Z",
"structure_string": "Li4 V2 B2 P2 O14\n1.0\n0.000000 5.173768 -0.048194\n6.147378 0.000000 0.000000\n0.000000 -0.523144 -8.679864\nLi V B P O\n4 2 2 2 14\ndirect\n0.744056 0.473527 0.193062 Li\n0.744056 0.026473 0.193062 Li\n0.255946 0.526473 0.806937 Li\n0.255946 0.973527 0.806937 Li\n0.204253 0.250000 0.323637 V\n0.795748 0.750000 0.676362 V\n0.256963 0.250000 0.050656 B\n0.743038 0.750000 0.949343 B\n0.289713 0.750000 0.439644 P\n0.710288 0.250000 0.560355 P\n0.540884 0.750000 0.830516 O\n0.799079 0.052560 0.660602 O\n0.799079 0.447440 0.660602 O\n0.154637 0.750000 0.593104 O\n0.415948 0.250000 0.530325 O\n0.584054 0.750000 0.469674 O\n0.019763 0.250000 0.128360 O\n0.200922 0.552561 0.339398 O\n0.200922 0.947440 0.339398 O\n0.459117 0.250000 0.169484 O\n0.980238 0.750000 0.871639 O\n0.715506 0.750000 0.099087 O\n0.845364 0.250000 0.406895 O\n0.284495 0.250000 0.900912 O\n",
"nsites": 24,
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"density_atomic": 0.08688757881667888,
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"formula_full": "Li4 V2 B2 P2 O14",
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{
"id": "jvasp-44574",
"created_at": "2022-09-04T14:38:10.614672Z",
"updated_at": "2022-09-04T14:38:10.614693Z",
"structure_string": "Na4 Mn2 As2 C2 O14\n1.0\n0.000000 5.311906 -0.108412\n6.650796 0.000000 0.000000\n0.000000 -0.156654 -9.118072\nNa Mn As C O\n4 2 2 2 14\ndirect\n0.785039 0.498603 0.221187 Na\n0.785039 0.001398 0.221187 Na\n0.214962 0.501398 0.778812 Na\n0.214962 0.998603 0.778812 Na\n0.228661 0.250000 0.349218 Mn\n0.771340 0.750000 0.650782 Mn\n0.304932 0.750000 0.428082 As\n0.695069 0.250000 0.571918 As\n0.302543 0.250000 0.072254 C\n0.697459 0.750000 0.927746 C\n0.497523 0.750000 0.848154 O\n0.773898 0.044577 0.675853 O\n0.773898 0.455423 0.675853 O\n0.162326 0.750000 0.595585 O\n0.367489 0.250000 0.545784 O\n0.632513 0.750000 0.454215 O\n0.089114 0.250000 0.150364 O\n0.226103 0.544578 0.324146 O\n0.226103 0.955423 0.324146 O\n0.502478 0.250000 0.151845 O\n0.910887 0.750000 0.849635 O\n0.704212 0.750000 0.065387 O\n0.837676 0.250000 0.404415 O\n0.295789 0.250000 0.934613 O\n",
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{
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"created_at": "2022-09-04T14:38:06.226515Z",
"updated_at": "2022-09-04T14:38:06.226537Z",
"structure_string": "Li4 Fe2 Si2 C2 O14\n1.0\n0.000000 5.127399 -0.022356\n6.155897 0.000000 0.000000\n0.000000 -0.376353 -8.444556\nLi Fe Si C O\n4 2 2 2 14\ndirect\n0.780593 0.476216 0.214714 Li\n0.780593 0.023784 0.214714 Li\n0.219407 0.523784 0.785287 Li\n0.219407 0.976216 0.785287 Li\n0.208070 0.250000 0.346003 Fe\n0.791930 0.750000 0.653998 Fe\n0.295087 0.750000 0.435559 Si\n0.704914 0.250000 0.564442 Si\n0.275231 0.250000 0.047070 C\n0.724769 0.750000 0.952931 C\n0.520990 0.750000 0.856985 O\n0.801934 0.042549 0.673501 O\n0.801934 0.457452 0.673501 O\n0.175785 0.750000 0.610960 O\n0.381718 0.250000 0.539047 O\n0.618282 0.750000 0.460954 O\n0.051051 0.250000 0.117981 O\n0.198067 0.542549 0.326500 O\n0.198067 0.957452 0.326500 O\n0.479010 0.250000 0.143016 O\n0.948950 0.750000 0.882020 O\n0.715735 0.750000 0.102496 O\n0.824216 0.250000 0.389041 O\n0.284266 0.250000 0.897505 O\n",
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{
"id": "jvasp-45941",
"created_at": "2022-09-04T14:38:00.833508Z",
"updated_at": "2022-09-04T14:38:00.833537Z",
"structure_string": "Na4 Ga2 P2 C2 O14\n1.0\n0.000000 5.139570 0.019973\n6.491386 0.000000 0.000000\n0.000000 -0.106800 -8.908029\nNa Ga P C O\n4 2 2 2 14\ndirect\n0.771060 0.506619 0.221565 Na\n0.771060 0.993382 0.221565 Na\n0.228940 0.493381 0.778435 Na\n0.228940 0.006619 0.778435 Na\n0.217673 0.250000 0.357204 Ga\n0.782327 0.750000 0.642797 Ga\n0.280484 0.750000 0.426688 P\n0.719516 0.250000 0.573312 P\n0.287296 0.250000 0.081813 C\n0.712704 0.750000 0.918187 C\n0.530321 0.750000 0.810039 O\n0.800142 0.058011 0.663984 O\n0.800142 0.441989 0.663984 O\n0.146999 0.750000 0.582016 O\n0.416173 0.250000 0.545983 O\n0.583827 0.750000 0.454018 O\n0.052107 0.250000 0.134400 O\n0.199858 0.558011 0.336016 O\n0.199858 0.941990 0.336016 O\n0.469679 0.250000 0.189961 O\n0.947892 0.750000 0.865601 O\n0.656145 0.750000 0.054651 O\n0.853001 0.250000 0.417985 O\n0.343854 0.250000 0.945350 O\n",
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{
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"created_at": "2022-09-04T14:38:16.412983Z",
"updated_at": "2022-09-04T14:38:16.413008Z",
"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.816383 -0.036498\n6.387049 0.000000 0.000000\n0.000000 -1.197119 -9.063637\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783249 0.483267 0.167661 Li\n0.783249 0.016733 0.167661 Li\n0.216751 0.983267 0.832340 Li\n0.216751 0.516733 0.832340 Li\n0.255951 0.250000 0.366196 Mn\n0.744049 0.750000 0.633804 Mn\n0.272606 0.250000 0.070967 C\n0.727393 0.750000 0.929034 C\n0.234101 0.750000 0.396643 S\n0.765898 0.250000 0.603357 S\n0.518788 0.750000 0.820228 O\n0.873913 0.063256 0.687940 O\n0.873913 0.436744 0.687940 O\n0.149881 0.750000 0.546567 O\n0.453301 0.250000 0.586722 O\n0.546698 0.750000 0.413278 O\n0.021577 0.250000 0.107482 O\n0.126086 0.563256 0.312060 O\n0.126086 0.936745 0.312060 O\n0.481212 0.250000 0.179773 O\n0.978422 0.750000 0.892519 O\n0.677366 0.750000 0.063334 O\n0.850118 0.250000 0.453434 O\n0.322633 0.250000 0.936666 O\n",
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{
"id": "jvasp-44490",
"created_at": "2022-09-04T14:37:30.689938Z",
"updated_at": "2022-09-04T14:37:30.689970Z",
"structure_string": "Na4 Sn2 B2 As2 O14\n1.0\n0.000000 5.422206 0.048796\n6.920589 0.000000 0.000000\n0.000000 -0.542739 -9.588416\nNa Sn B As O\n4 2 2 2 14\ndirect\n0.766707 0.490799 0.175554 Na\n0.766707 0.009201 0.175554 Na\n0.233293 0.509201 0.824446 Na\n0.233293 0.990799 0.824446 Na\n0.220823 0.250000 0.341825 Sn\n0.779177 0.750000 0.658175 Sn\n0.285711 0.250000 0.081914 B\n0.714289 0.750000 0.918086 B\n0.266239 0.750000 0.429957 As\n0.733761 0.250000 0.570043 As\n0.523245 0.750000 0.805173 O\n0.822390 0.054306 0.669159 O\n0.822390 0.445694 0.669159 O\n0.137174 0.750000 0.588601 O\n0.413282 0.250000 0.536331 O\n0.586718 0.750000 0.463669 O\n0.051176 0.250000 0.141562 O\n0.177610 0.554306 0.330841 O\n0.177610 0.945694 0.330841 O\n0.476756 0.250000 0.194827 O\n0.948825 0.750000 0.858438 O\n0.671516 0.750000 0.051333 O\n0.862827 0.250000 0.411399 O\n0.328485 0.250000 0.948667 O\n",
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{
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"created_at": "2022-09-04T14:37:35.928138Z",
"updated_at": "2022-09-04T14:37:35.928159Z",
"structure_string": "Li4 Fe2 As2 C2 O14\n1.0\n0.000000 5.018637 -0.005231\n6.560819 0.000000 0.000000\n0.000000 -0.377462 -8.581615\nLi Fe As C O\n4 2 2 2 14\ndirect\n0.792964 0.482920 0.204025 Li\n0.792964 0.017080 0.204025 Li\n0.207037 0.517081 0.795974 Li\n0.207037 0.982920 0.795974 Li\n0.219944 0.250000 0.344786 Fe\n0.780057 0.750000 0.655213 Fe\n0.281021 0.750000 0.417660 As\n0.718980 0.250000 0.582339 As\n0.256968 0.250000 0.047810 C\n0.743033 0.750000 0.952189 C\n0.543965 0.750000 0.847146 O\n0.828109 0.044123 0.687333 O\n0.828109 0.455877 0.687333 O\n0.175984 0.750000 0.606488 O\n0.373926 0.250000 0.557235 O\n0.626075 0.750000 0.442765 O\n0.020239 0.250000 0.105145 O\n0.171892 0.544123 0.312667 O\n0.171892 0.955877 0.312667 O\n0.456036 0.250000 0.152853 O\n0.979762 0.750000 0.894854 O\n0.705576 0.750000 0.097225 O\n0.824017 0.250000 0.393512 O\n0.294425 0.250000 0.902774 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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],
"chemical_system": "As-C-Fe-Li-O",
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"density_atomic": 0.08493339103109096,
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"formula_full": "Li4 Fe2 As2 C2 O14",
"formula_reduced": "Li2FeAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9214101458333337,
"spacegroup": 11
},
{
"id": "jvasp-30308",
"created_at": "2022-09-04T14:38:29.869911Z",
"updated_at": "2022-09-04T14:38:29.869931Z",
"structure_string": "Na4 Dy2 P2 C2 O14\n1.0\n9.393520 0.000000 -0.193788\n0.000000 6.972251 0.000000\n0.014736 0.000000 5.028516\nNa Dy P C O\n4 2 2 2 14\ndirect\n0.208504 0.488108 0.233576 Na\n0.208504 0.011891 0.233576 Na\n0.791497 0.511891 0.766424 Na\n0.791497 0.988108 0.766424 Na\n0.374876 0.750000 0.771703 Dy\n0.625124 0.250000 0.228297 Dy\n0.411528 0.250000 0.695567 P\n0.588472 0.750000 0.304433 P\n0.082745 0.750000 0.730700 C\n0.917255 0.250000 0.269301 C\n0.829525 0.250000 0.472092 O\n0.654688 0.931979 0.185020 O\n0.654688 0.568021 0.185020 O\n0.576639 0.250000 0.755457 O\n0.604582 0.750000 0.613277 O\n0.395418 0.250000 0.386723 O\n0.147119 0.750000 0.963696 O\n0.345313 0.431979 0.814981 O\n0.345313 0.068021 0.814981 O\n0.170475 0.750000 0.527909 O\n0.852881 0.250000 0.036304 O\n0.050481 0.250000 0.300742 O\n0.423362 0.750000 0.244543 O\n0.949519 0.750000 0.699259 O\n",
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],
"chemical_system": "C-Dy-Na-O-P",
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"formula_full": "Na4 Dy2 P2 C2 O14",
"formula_reduced": "Na2DyPCO7",
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}
]
}