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{
"id": "mp-25418",
"created_at": "2022-09-04T14:46:25.110019Z",
"structure_string": "Li2 Ti2 P2 C2 O14\n1.0\n6.336385 0.000000 0.000000\n0.000000 5.686126 0.000000\n0.000000 0.467426 8.579496\nLi Ti P C O\n2 2 2 2 14\ndirect\n0.895682 0.247754 0.165189 Li\n0.395682 0.752246 0.834811 Li\n0.774335 0.786296 0.338042 Ti\n0.274335 0.213704 0.661958 Ti\n0.276039 0.735633 0.456278 P\n0.776039 0.264367 0.543722 P\n0.736302 0.737815 0.055322 C\n0.236302 0.262185 0.944678 C\n0.579476 0.203071 0.642808 O\n0.766091 0.942304 0.120460 O\n0.268049 0.436875 0.835996 O\n0.768049 0.563125 0.164004 O\n0.471168 0.796126 0.355217 O\n0.782272 0.123170 0.394208 O\n0.971168 0.203874 0.644783 O\n0.282272 0.876830 0.605792 O\n0.079476 0.796929 0.357192 O\n0.275358 0.470000 0.507583 O\n0.678429 0.711387 0.920752 O\n0.178429 0.288613 0.079248 O\n0.775358 0.530000 0.492417 O\n0.266091 0.057696 0.879540 O\n",
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"formula_full": "Li2 Ti2 P2 C2 O14",
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},
{
"id": "mp-761016",
"created_at": "2022-09-04T14:44:04.821288Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n5.158492 0.000000 0.000000\n-0.172110 6.191394 0.000000\n-0.262831 -0.292752 9.427246\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.252842 0.051838 0.769975 Na\n0.747158 0.948162 0.230025 Na\n0.784291 0.752280 0.649586 Mn\n0.215709 0.247720 0.350414 Mn\n0.721338 0.243499 0.562111 P\n0.278662 0.756501 0.437889 P\n0.708097 0.750544 0.900522 C\n0.291903 0.249456 0.099478 C\n0.335386 0.241725 0.972137 O\n0.939500 0.766677 0.844110 O\n0.525972 0.727582 0.797645 O\n0.833120 0.448351 0.640561 O\n0.753386 0.065282 0.674907 O\n0.128806 0.811015 0.572548 O\n0.427285 0.255916 0.524953 O\n0.572715 0.744084 0.475047 O\n0.871194 0.188985 0.427452 O\n0.246614 0.934718 0.325093 O\n0.166880 0.551649 0.359439 O\n0.474028 0.272418 0.202355 O\n0.060500 0.233323 0.155890 O\n0.664614 0.758275 0.027863 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.569020667653197,
"density_atomic": 0.0730679019862518,
"volume": 301.08980006213187,
"volume_molar": 8.24184162442916,
"formula_full": "Na2 Mn2 P2 C2 O14",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.53012272,
"energy_per_atom": -7.615005578181819,
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"updated_at": "2021-11-28T01:36:23.569000Z",
"spacegroup": 2
},
{
"id": "mp-768599",
"created_at": "2022-09-04T14:43:33.537370Z",
"structure_string": "Li2 Cu2 C2 S2 O14\n1.0\n6.207335 0.000000 0.000000\n0.000000 5.162770 0.000000\n0.000000 0.530002 8.901014\nLi Cu C S O\n2 2 2 2 14\ndirect\n0.501623 0.767751 0.787956 Li\n0.001623 0.232249 0.212044 Li\n0.245870 0.226318 0.650139 Cu\n0.745870 0.773682 0.349861 Cu\n0.256435 0.273725 0.928633 C\n0.756435 0.726275 0.071367 C\n0.748652 0.278464 0.574048 S\n0.248652 0.721536 0.425952 S\n0.728684 0.702203 0.933693 O\n0.262123 0.050295 0.867994 O\n0.275997 0.473271 0.831637 O\n0.934078 0.208282 0.673935 O\n0.559938 0.171930 0.662821 O\n0.262432 0.835869 0.573417 O\n0.726319 0.566996 0.551739 O\n0.226319 0.433004 0.448261 O\n0.762432 0.164131 0.426583 O\n0.059938 0.828070 0.337179 O\n0.434078 0.791718 0.326065 O\n0.775997 0.526729 0.168363 O\n0.762123 0.949705 0.132006 O\n0.228684 0.297797 0.066307 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-Cu-Li-O-S",
"density": 2.6377401361956387,
"density_atomic": 0.07712501024396475,
"volume": 285.2511776712738,
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"formula_full": "Li2 Cu2 C2 S2 O14",
"formula_reduced": "LiCuCSO7",
"formula_anonymous": "ABCDE7",
"energy": -144.71222511,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:24.167000Z",
"spacegroup": 4
},
{
"id": "mp-754499",
"created_at": "2022-09-04T14:42:14.357600Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.804861 0.000000 0.000000\n0.000000 5.089238 0.000000\n0.000000 0.719214 8.677696\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477004 0.788841 0.816206 Li\n0.977004 0.211159 0.183794 Li\n0.253127 0.226822 0.654003 Mn\n0.753127 0.773178 0.345997 Mn\n0.249003 0.280641 0.927225 C\n0.749003 0.719359 0.072775 C\n0.756963 0.252460 0.582958 S\n0.256963 0.747540 0.417042 S\n0.708589 0.690707 0.937261 O\n0.259492 0.049599 0.866644 O\n0.278184 0.476208 0.818608 O\n0.934394 0.200942 0.675034 O\n0.581948 0.158896 0.671647 O\n0.267684 0.872100 0.567157 O\n0.735765 0.545371 0.541130 O\n0.235765 0.454629 0.458870 O\n0.767684 0.127900 0.432843 O\n0.081948 0.841104 0.328353 O\n0.434394 0.799058 0.324966 O\n0.778184 0.523792 0.181392 O\n0.759492 0.950401 0.133356 O\n0.208589 0.309293 0.062739 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.408577366734021,
"density_atomic": 0.07320592445739679,
"volume": 300.52212526601187,
"volume_molar": 8.226302453846708,
"formula_full": "Li2 Mn2 C2 S2 O14",
"formula_reduced": "LiMnCSO7",
"formula_anonymous": "ABCDE7",
"energy": -161.73134330000002,
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"updated_at": "2021-11-28T01:35:39.908000Z",
"spacegroup": 4
},
{
"id": "mp-769599",
"created_at": "2022-09-04T14:42:10.658504Z",
"structure_string": "Na2 Cr2 P2 C2 O14\n1.0\n6.298476 0.000000 0.000000\n0.000000 5.282538 0.000000\n0.000000 0.342902 9.060022\nNa Cr P C O\n2 2 2 2 14\ndirect\n0.522719 0.762445 0.767876 Na\n0.022719 0.237555 0.232124 Na\n0.235772 0.213733 0.659880 Cr\n0.735772 0.786267 0.340120 Cr\n0.742965 0.279838 0.566384 P\n0.242965 0.720162 0.433616 P\n0.256102 0.271586 0.920826 C\n0.756102 0.728414 0.079174 C\n0.757055 0.688195 0.946811 O\n0.250219 0.049204 0.859322 O\n0.258802 0.455824 0.812334 O\n0.938862 0.219042 0.667008 O\n0.550143 0.204537 0.663675 O\n0.254396 0.879929 0.572589 O\n0.735114 0.565211 0.524518 O\n0.235114 0.434789 0.475482 O\n0.754396 0.120071 0.427411 O\n0.050143 0.795463 0.336325 O\n0.438862 0.780958 0.332992 O\n0.758802 0.544176 0.187666 O\n0.750219 0.950796 0.140678 O\n0.257055 0.311805 0.053189 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Na2 Cr2 P2 C2 O14",
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},
{
"id": "mp-779262",
"created_at": "2022-09-04T14:43:01.771408Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.411918 0.021223 0.024901\n0.425758 5.125246 -0.002821\n0.038603 -0.010969 12.884041\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.108451 0.770089 0.126282 Li\n0.281921 0.244656 0.727062 Li\n0.890219 0.230449 0.378066 Li\n0.890611 0.224920 0.876153 Li\n0.331721 0.805112 0.376299 Fe\n0.336796 0.801837 0.878864 Fe\n0.665757 0.196168 0.125686 Fe\n0.665539 0.200316 0.624663 Fe\n0.422255 0.726276 0.126316 P\n0.423426 0.732673 0.626226 P\n0.575129 0.276935 0.373371 P\n0.579313 0.276126 0.875022 P\n0.045684 0.703681 0.869370 C\n0.042787 0.707015 0.377224 C\n0.957471 0.292863 0.123988 C\n0.957020 0.286226 0.628623 C\n0.073706 0.949401 0.375722 O\n0.074592 0.947869 0.875046 O\n0.093048 0.378513 0.123842 O\n0.099753 0.334019 0.638207 O\n0.174363 0.537989 0.863965 O\n0.167836 0.538490 0.377646 O\n0.321438 0.793200 0.529773 O\n0.311958 0.795580 0.031680 O\n0.307459 0.795223 0.218679 O\n0.318781 0.833807 0.720044 O\n0.423410 0.130259 0.372521 O\n0.421698 0.140007 0.868375 O\n0.477095 0.431477 0.125557 O\n0.465865 0.431133 0.638967 O\n0.520479 0.571534 0.369543 O\n0.526745 0.572242 0.876730 O\n0.574485 0.871906 0.126653 O\n0.580833 0.867002 0.623086 O\n0.691122 0.204514 0.281512 O\n0.682411 0.218664 0.469322 O\n0.691784 0.208602 0.781693 O\n0.685438 0.196101 0.969168 O\n0.831088 0.459483 0.123503 O\n0.839856 0.467175 0.623835 O\n0.906611 0.624079 0.375948 O\n0.910863 0.617944 0.872097 O\n0.928158 0.049695 0.124428 O\n0.909211 0.053232 0.623250 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-755407",
"created_at": "2022-09-04T14:43:09.667464Z",
"structure_string": "K4 V4 P4 C4 O28\n1.0\n0.190571 0.001247 5.370382\n10.372368 6.277475 -0.100342\n-10.374131 6.280057 0.103256\nK V P C O\n4 4 4 4 28\ndirect\n0.236984 0.305389 0.087828 K\n0.236929 0.805244 0.587643 K\n0.763779 0.837424 0.055049 K\n0.763744 0.337536 0.555081 K\n0.779228 0.064465 0.712461 V\n0.220788 0.962467 0.314365 V\n0.779269 0.564341 0.212319 V\n0.220742 0.462397 0.814423 V\n0.720500 0.360007 0.911185 P\n0.720586 0.860055 0.411176 P\n0.279437 0.660979 0.109820 P\n0.279363 0.160965 0.609822 P\n0.707281 0.436376 0.311708 C\n0.707382 0.936203 0.811556 C\n0.292545 0.561379 0.686083 C\n0.292602 0.061398 0.185997 C\n0.328158 0.112321 0.121014 O\n0.328097 0.612301 0.621112 O\n0.671760 0.871183 0.862440 O\n0.671556 0.371428 0.362649 O\n0.931492 0.466312 0.286398 O\n0.931553 0.966226 0.786283 O\n0.068355 0.536305 0.716320 O\n0.068414 0.036350 0.216247 O\n0.529143 0.487182 0.269029 O\n0.529174 0.987034 0.768940 O\n0.470784 0.518572 0.736722 O\n0.470826 0.018592 0.236632 O\n0.777291 0.216293 0.857035 O\n0.777462 0.716302 0.356820 O\n0.223409 0.607244 0.966133 O\n0.223525 0.107300 0.466138 O\n0.777460 0.409866 0.051909 O\n0.777384 0.909897 0.551897 O\n0.221567 0.801717 0.160203 O\n0.221617 0.301726 0.660255 O\n0.111310 0.599343 0.164466 O\n0.111127 0.099388 0.664491 O\n0.888719 0.415265 0.850230 O\n0.888758 0.915464 0.350309 O\n0.441605 0.377431 0.890329 O\n0.441684 0.877484 0.390254 O\n0.558360 0.640281 0.127407 O\n0.558250 0.140275 0.627522 O\n",
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"formula_full": "K4 V4 P4 C4 O28",
"formula_reduced": "KVPCO7",
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{
"id": "mp-773432",
"created_at": "2022-09-04T14:45:42.433668Z",
"structure_string": "K2 Mn2 P2 C2 O14\n1.0\n6.211377 0.000000 0.000000\n0.000000 5.403057 0.000000\n0.000000 0.225941 10.006577\nK Mn P C O\n2 2 2 2 14\ndirect\n0.592241 0.755100 0.765017 K\n0.092241 0.244900 0.234983 K\n0.228837 0.226460 0.645824 Mn\n0.728837 0.773540 0.354176 Mn\n0.733635 0.274499 0.557339 P\n0.233635 0.725501 0.442661 P\n0.253973 0.280508 0.887582 C\n0.753973 0.719492 0.112418 C\n0.779886 0.687857 0.991389 O\n0.243651 0.064545 0.829659 O\n0.237210 0.462445 0.797025 O\n0.923319 0.220505 0.655599 O\n0.539339 0.224318 0.652860 O\n0.237564 0.892834 0.563841 O\n0.732497 0.552057 0.513619 O\n0.232497 0.447943 0.486381 O\n0.737564 0.107166 0.436159 O\n0.039339 0.775682 0.347140 O\n0.423319 0.779495 0.344401 O\n0.737210 0.537555 0.202975 O\n0.743651 0.935455 0.170341 O\n0.279886 0.312143 0.008611 O\n",
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"formula_full": "K2 Mn2 P2 C2 O14",
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{
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