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{
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{
"id": "mp-1306750",
"created_at": "2022-09-04T14:40:55.757604Z",
"structure_string": "Li2 Co10 O14 F2\n1.0\n-0.085494 4.096129 4.103137\n4.093347 -0.087730 4.105851\n8.264037 4.093819 -4.271656\nLi Co O F\n2 10 14 2\ndirect\n0.023926 0.011550 0.008213 Li\n0.516760 0.014118 0.504581 Li\n0.359648 0.235603 0.121924 Co\n0.863377 0.246718 0.620186 Co\n0.936840 0.622033 0.314632 Co\n0.440196 0.629999 0.810801 Co\n0.182788 0.624254 0.561495 Co\n0.683693 0.616976 0.063426 Co\n0.921570 0.122982 0.309812 Co\n0.431928 0.129355 0.808708 Co\n0.433129 0.611086 0.309617 Co\n0.937456 0.623691 0.808341 Co\n0.559856 0.372539 0.185200 O\n0.068565 0.396625 0.674221 O\n0.020776 0.380415 0.195715 O\n0.520782 0.395032 0.692947 O\n0.577647 0.823408 0.195194 O\n0.084897 0.831963 0.693284 O\n0.797728 0.384129 0.414672 O\n0.290506 0.372205 0.917451 O\n0.073310 0.857028 0.214914 O\n0.589327 0.884471 0.706576 O\n0.286393 0.425050 0.431190 O\n0.792856 0.428288 0.928067 O\n0.854189 0.856657 0.430728 O\n0.360736 0.861880 0.928603 O\n0.314626 0.862577 0.455105 F\n0.826503 0.879378 0.944403 F\n",
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"formula_full": "Li2 Co10 O14 F2",
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"spacegroup": 8
},
{
"id": "mp-1176761",
"created_at": "2022-09-04T14:40:55.768881Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n4.971504 0.000000 0.000000\n0.000000 6.327003 0.000000\n0.000000 0.000000 9.530153\nLi Fe P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.469451 0.750000 0.148578 Fe\n0.969451 0.250000 0.351422 Fe\n0.030549 0.750000 0.648578 Fe\n0.530549 0.250000 0.851422 Fe\n0.462725 0.250000 0.181997 P\n0.962725 0.750000 0.318003 P\n0.037275 0.250000 0.681997 P\n0.537275 0.750000 0.818003 P\n0.770707 0.250000 0.156859 O\n0.334732 0.052145 0.112149 O\n0.334732 0.447855 0.112149 O\n0.892894 0.750000 0.156934 O\n0.392894 0.250000 0.343066 O\n0.834732 0.947855 0.387851 O\n0.834732 0.552145 0.387851 O\n0.270707 0.750000 0.343141 O\n0.729293 0.250000 0.656859 O\n0.165268 0.052145 0.612149 O\n0.165268 0.447855 0.612149 O\n0.607106 0.750000 0.656934 O\n0.107106 0.250000 0.843066 O\n0.665268 0.552145 0.887851 O\n0.665268 0.947855 0.887851 O\n0.229293 0.750000 0.843141 O\n",
"nsites": 28,
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"elements": [
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"P",
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],
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"density": 3.495529870508079,
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"volume": 299.76830105780994,
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"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
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"updated_at": "2021-11-28T01:34:59.767000Z",
"spacegroup": 62
},
{
"id": "mp-1221048",
"created_at": "2022-09-04T14:40:55.768841Z",
"structure_string": "Na2 Li2 V4 O12\n1.0\n4.970903 5.372634 0.000000\n-4.970903 5.372634 0.000000\n0.000000 2.334030 5.460354\nNa Li V O\n2 2 4 12\ndirect\n0.901655 0.098345 0.750000 Na\n0.098345 0.901655 0.250000 Na\n0.773877 0.226123 0.250000 Li\n0.226123 0.773877 0.750000 Li\n0.791739 0.611986 0.797261 V\n0.388014 0.208261 0.702739 V\n0.208261 0.388014 0.202739 V\n0.611986 0.791739 0.297261 V\n0.977892 0.767299 0.678113 O\n0.232701 0.022108 0.821887 O\n0.022108 0.232701 0.321887 O\n0.767299 0.977892 0.178113 O\n0.864505 0.386113 0.882540 O\n0.613887 0.135495 0.617460 O\n0.135495 0.613887 0.117460 O\n0.386113 0.864505 0.382540 O\n0.666014 0.636668 0.567493 O\n0.363332 0.333986 0.932507 O\n0.333986 0.363332 0.432507 O\n0.636668 0.666014 0.067493 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.06857355359912051,
"volume": 291.65762820050946,
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"formula_full": "Na2 Li2 V4 O12",
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"updated_at": "2021-11-28T01:35:00.621000Z",
"spacegroup": 15
},
{
"id": "mp-21319",
"created_at": "2022-09-04T14:40:55.836608Z",
"structure_string": "Ce3 Tl1 C1\n1.0\n5.862354 0.000000 0.000000\n0.000000 5.862354 0.000000\n0.000000 0.000000 5.862354\nCe Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
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],
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"updated_at": "2021-11-28T01:35:00.843000Z",
"spacegroup": 221
},
{
"id": "mp-1200336",
"created_at": "2022-09-04T14:40:55.774135Z",
"structure_string": "H36 C12 S12 N4 O20\n1.0\n5.789341 0.000000 0.000000\n0.000000 23.334145 0.000000\n-5.173800 0.000000 7.713371\nH C S N O\n36 12 12 4 20\ndirect\n0.541629 0.082711 0.526168 H\n0.541629 0.417289 0.026168 H\n0.458371 0.917289 0.473832 H\n0.458371 0.582711 0.973832 H\n0.269996 0.045894 0.333185 H\n0.269996 0.454106 0.833185 H\n0.730004 0.954106 0.666815 H\n0.730004 0.545894 0.166815 H\n0.226226 0.120452 0.367657 H\n0.226226 0.379548 0.867657 H\n0.773774 0.879548 0.632343 H\n0.773774 0.620452 0.132343 H\n0.186537 0.273747 0.959015 H\n0.186537 0.226253 0.459015 H\n0.813463 0.726253 0.040985 H\n0.813463 0.773747 0.540985 H\n0.384927 0.222662 0.925906 H\n0.384927 0.277338 0.425906 H\n0.615073 0.777338 0.074094 H\n0.615073 0.722662 0.574094 H\n0.496321 0.241812 0.144181 H\n0.496321 0.258188 0.644181 H\n0.503679 0.758188 0.855819 H\n0.503679 0.741812 0.355819 H\n0.217860 0.057620 0.683506 H\n0.217860 0.442380 0.183506 H\n0.782140 0.942380 0.316494 H\n0.782140 0.557620 0.816494 H\n0.483755 0.104322 0.843706 H\n0.483755 0.395678 0.343706 H\n0.516245 0.895678 0.156294 H\n0.516245 0.604322 0.656294 H\n0.119561 0.127597 0.714363 H\n0.119561 0.372403 0.214363 H\n0.880439 0.872403 0.285637 H\n0.880439 0.627597 0.785637 H\n0.374171 0.087018 0.388012 C\n0.374171 0.412982 0.888012 C\n0.625829 0.912982 0.611988 C\n0.625829 0.587018 0.111988 C\n0.318428 0.235405 0.010826 C\n0.318428 0.264595 0.510826 C\n0.681572 0.764595 0.989174 C\n0.681572 0.735405 0.489174 C\n0.264726 0.091770 0.777379 C\n0.264726 0.408230 0.277379 C\n0.735274 0.908230 0.222621 C\n0.735274 0.591770 0.722621 C\n0.211998 0.057889 0.931455 S\n0.211998 0.442111 0.431455 S\n0.788002 0.942111 0.068545 S\n0.788002 0.557889 0.568545 S\n0.544537 0.108328 0.286856 S\n0.544537 0.391672 0.786856 S\n0.455463 0.891672 0.713144 S\n0.455463 0.608328 0.213144 S\n0.098354 0.181765 0.007270 S\n0.098354 0.318235 0.507270 S\n0.901646 0.818235 0.992730 S\n0.901646 0.681765 0.492730 S\n0.290683 0.119393 0.071964 N\n0.290683 0.380607 0.571964 N\n0.709317 0.880607 0.928036 N\n0.709317 0.619393 0.428036 N\n0.706615 0.060665 0.290174 O\n0.706615 0.439335 0.790174 O\n0.293385 0.939335 0.709826 O\n0.293385 0.560665 0.209826 O\n0.675111 0.163244 0.355293 O\n0.675111 0.336756 0.855293 O\n0.324889 0.836756 0.644707 O\n0.324889 0.663244 0.144707 O\n0.872772 0.171197 0.829730 O\n0.872772 0.328803 0.329730 O\n0.127228 0.828803 0.170270 O\n0.127228 0.671197 0.670270 O\n0.037887 0.195421 0.134392 O\n0.037887 0.304579 0.634392 O\n0.962113 0.804579 0.865608 O\n0.962113 0.695421 0.365608 O\n0.912163 0.043958 0.834779 O\n0.912163 0.456042 0.334779 O\n0.087837 0.956042 0.165221 O\n0.087837 0.543958 0.665221 O\n",
"nsites": 84,
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"elements": [
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],
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"volume": 1041.9940614121476,
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"formula_full": "H36 C12 S12 N4 O20",
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{
"id": "mp-22320",
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"structure_string": "Ga1 Ru1\n1.0\n3.030010 0.000000 0.000000\n0.000000 3.030010 0.000000\n0.000000 0.000000 3.030010\nGa Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ru\n",
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{
"id": "mp-572951",
"created_at": "2022-09-04T14:40:55.777626Z",
"structure_string": "Cs8 Na8 Si16 O40\n1.0\n4.985844 0.000000 0.000000\n0.000000 13.567401 0.000000\n0.000000 0.000000 17.398457\nCs Na Si O\n8 8 16 40\ndirect\n0.736678 0.506378 0.266202 Cs\n0.752635 0.641352 0.516656 Cs\n0.247365 0.141352 0.483344 Cs\n0.747365 0.641352 0.016656 Cs\n0.236678 0.006378 0.233798 Cs\n0.263322 0.006378 0.733798 Cs\n0.763322 0.506378 0.766202 Cs\n0.252635 0.141352 0.983344 Cs\n0.261289 0.734511 0.654376 Na\n0.744324 0.912361 0.096144 Na\n0.255676 0.412361 0.903856 Na\n0.755676 0.912361 0.596144 Na\n0.238711 0.734511 0.154376 Na\n0.738711 0.234511 0.345624 Na\n0.244324 0.412361 0.403856 Na\n0.761289 0.234511 0.845624 Na\n0.277167 0.688415 0.855411 Si\n0.722833 0.188415 0.144589 Si\n0.275434 0.862903 0.474770 Si\n0.222833 0.688415 0.355411 Si\n0.775434 0.362903 0.025230 Si\n0.270428 0.458576 0.104513 Si\n0.224566 0.862903 0.974770 Si\n0.218434 0.284204 0.223898 Si\n0.281566 0.284204 0.723898 Si\n0.724566 0.362903 0.525230 Si\n0.718434 0.784204 0.276102 Si\n0.777167 0.188415 0.644589 Si\n0.729572 0.958576 0.895487 Si\n0.229572 0.458576 0.604513 Si\n0.770428 0.958576 0.395487 Si\n0.781566 0.784204 0.776102 Si\n0.696836 0.359883 0.936602 O\n0.091963 0.739367 0.785743 O\n0.913866 0.907196 0.965015 O\n0.784026 0.895729 0.815025 O\n0.803164 0.359883 0.436602 O\n0.284026 0.395729 0.684975 O\n0.215974 0.395729 0.184975 O\n0.777515 0.251466 0.064257 O\n0.913834 0.435228 0.579492 O\n0.776699 0.073035 0.883515 O\n0.303164 0.859883 0.063398 O\n0.722485 0.251466 0.564257 O\n0.222485 0.751466 0.935743 O\n0.907318 0.711944 0.330478 O\n0.086134 0.407196 0.034985 O\n0.223301 0.573035 0.116485 O\n0.408037 0.739367 0.285743 O\n0.701910 0.787185 0.687572 O\n0.201910 0.287185 0.812428 O\n0.723301 0.073035 0.383515 O\n0.591963 0.239367 0.714257 O\n0.413834 0.935228 0.920508 O\n0.277515 0.751466 0.435743 O\n0.798090 0.787185 0.187572 O\n0.908037 0.239367 0.214257 O\n0.715974 0.895729 0.315025 O\n0.276699 0.573035 0.616485 O\n0.592682 0.711944 0.830478 O\n0.269582 0.573999 0.367520 O\n0.769582 0.073999 0.132480 O\n0.196836 0.859883 0.563398 O\n0.586134 0.907196 0.465015 O\n0.407318 0.211944 0.169522 O\n0.230418 0.573999 0.867520 O\n0.092682 0.211944 0.669522 O\n0.730418 0.073999 0.632480 O\n0.086166 0.935228 0.420508 O\n0.413866 0.407196 0.534985 O\n0.586166 0.435228 0.079492 O\n0.298090 0.287185 0.312428 O\n",
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{
"id": "mp-1237008",
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"structure_string": "Er4 Sb4 O16\n1.0\n5.377596 0.000000 0.000000\n0.000000 7.561841 0.000000\n0.000000 1.234772 7.577090\nEr Sb O\n4 4 16\ndirect\n0.730697 0.374683 0.346673 Er\n0.269303 0.625317 0.653327 Er\n0.769303 0.874683 0.346673 Er\n0.230697 0.125317 0.653327 Er\n0.761892 0.811371 0.839649 Sb\n0.238108 0.188629 0.160351 Sb\n0.261892 0.688629 0.160351 Sb\n0.738108 0.311371 0.839649 Sb\n0.912115 0.306032 0.070121 O\n0.087885 0.693968 0.929879 O\n0.384320 0.438634 0.176394 O\n0.615680 0.561366 0.823606 O\n0.115680 0.938634 0.176394 O\n0.884320 0.061366 0.823606 O\n0.587885 0.806032 0.070121 O\n0.412115 0.193968 0.929879 O\n0.954635 0.820639 0.612303 O\n0.045365 0.179361 0.387697 O\n0.454635 0.679361 0.387697 O\n0.545365 0.320639 0.612303 O\n0.530457 0.113698 0.308710 O\n0.469543 0.886302 0.691290 O\n0.969543 0.613698 0.308710 O\n0.030457 0.386302 0.691290 O\n",
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