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{
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{
"id": "mp-1211927",
"created_at": "2022-09-04T14:45:19.736858Z",
"structure_string": "K4 U4 H4 Se4 O28\n1.0\n8.172156 0.000000 0.000000\n0.000000 8.474589 0.000000\n0.000000 4.080434 11.455085\nK U H Se O\n4 4 4 4 28\ndirect\n0.963643 0.943861 0.778173 K\n0.036357 0.056139 0.221827 K\n0.463643 0.056139 0.721827 K\n0.536357 0.943861 0.278173 K\n0.076095 0.454103 0.770631 U\n0.923905 0.545897 0.229369 U\n0.576095 0.545897 0.729369 U\n0.423905 0.454103 0.270631 U\n0.770881 0.706822 0.526501 H\n0.229119 0.293178 0.473499 H\n0.270881 0.293178 0.973499 H\n0.729119 0.706822 0.026501 H\n0.254894 0.824142 0.537973 Se\n0.745106 0.175858 0.462027 Se\n0.754894 0.175858 0.962027 Se\n0.245106 0.824142 0.037973 Se\n0.338079 0.506741 0.794746 O\n0.661921 0.493259 0.205254 O\n0.838079 0.493259 0.705254 O\n0.161921 0.506741 0.294746 O\n0.451554 0.757903 0.572393 O\n0.548446 0.242097 0.427607 O\n0.951554 0.242097 0.927607 O\n0.048446 0.757903 0.072393 O\n0.209250 0.962548 0.602310 O\n0.790750 0.037452 0.397690 O\n0.709250 0.037452 0.897690 O\n0.290750 0.962548 0.102310 O\n0.033812 0.608124 0.842720 O\n0.966188 0.391876 0.157280 O\n0.533812 0.391876 0.657280 O\n0.466188 0.608124 0.342720 O\n0.130489 0.654426 0.593022 O\n0.869511 0.345574 0.406978 O\n0.630489 0.345574 0.906978 O\n0.369511 0.654426 0.093022 O\n0.261460 0.895079 0.895140 O\n0.738540 0.104921 0.104860 O\n0.761460 0.104921 0.604860 O\n0.238540 0.895079 0.395140 O\n0.141973 0.282914 0.719274 O\n0.858027 0.717086 0.280726 O\n0.641973 0.717086 0.780726 O\n0.358027 0.282914 0.219274 O\n",
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],
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"volume_molar": 10.85804995523343,
"formula_full": "K4 U4 H4 Se4 O28",
"formula_reduced": "KUHSeO7",
"formula_anonymous": "ABCDE7",
"energy": -295.3916454,
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"updated_at": "2021-11-28T01:37:06.851000Z",
"spacegroup": 14
},
{
"id": "mp-770650",
"created_at": "2022-09-04T14:43:40.566245Z",
"structure_string": "Li2 V2 Si2 C2 O14\n1.0\n6.381732 0.000000 0.000000\n0.000000 5.332744 0.000000\n0.000000 0.897573 8.635387\nLi V Si C O\n2 2 2 2 14\ndirect\n0.468977 0.778921 0.810745 Li\n0.968977 0.221079 0.189255 Li\n0.247885 0.195359 0.660924 V\n0.747885 0.804641 0.339076 V\n0.751187 0.263155 0.564859 Si\n0.251187 0.736845 0.435141 Si\n0.252003 0.277344 0.934222 C\n0.752003 0.722656 0.065778 C\n0.717576 0.684877 0.929995 O\n0.253775 0.050409 0.880879 O\n0.280867 0.453997 0.817082 O\n0.963862 0.199520 0.666929 O\n0.549805 0.174827 0.668136 O\n0.261524 0.882544 0.593378 O\n0.754691 0.567152 0.503302 O\n0.254691 0.432848 0.496698 O\n0.761524 0.117456 0.406622 O\n0.049805 0.825173 0.331864 O\n0.463862 0.800480 0.333071 O\n0.780867 0.546003 0.182918 O\n0.753775 0.949591 0.119121 O\n0.217576 0.315123 0.070005 O\n",
"nsites": 22,
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"elements": [
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"V",
"Si",
"C",
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],
"chemical_system": "C-Li-O-Si-V",
"density": 2.372873277863504,
"density_atomic": 0.07486030245988128,
"volume": 293.8807255259237,
"volume_molar": 8.044504980763808,
"formula_full": "Li2 V2 Si2 C2 O14",
"formula_reduced": "LiVSiCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.03159209,
"energy_per_atom": -7.865072367727273,
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"updated_at": "2021-11-28T01:36:17.556000Z",
"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,
"nelements": 5,
"elements": [
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"S",
"O"
],
"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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"spacegroup": 4
},
{
"id": "mp-1101650",
"created_at": "2022-09-04T14:48:23.102979Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n-9.017498 0.114830 -0.162981\n-0.164278 6.261094 -5.261002\n0.005957 -6.278716 -5.286834\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.766087 0.372689 0.379068 Na\n0.766561 0.624653 0.125178 Na\n0.237999 0.106114 0.128277 Na\n0.240550 0.611359 0.634318 Na\n0.656081 0.483002 0.733996 Mn\n0.656386 0.984186 0.234324 Mn\n0.344145 0.523863 0.260907 Mn\n0.342548 0.022233 0.758915 Mn\n0.569405 0.269632 0.019562 P\n0.566866 0.763557 0.512401 P\n0.431576 0.237015 0.482439 P\n0.432031 0.738107 0.980807 P\n0.924169 0.003089 0.266874 C\n0.923866 0.507186 0.760582 C\n0.079678 0.488811 0.238309 C\n0.071566 0.992825 0.740862 C\n0.943443 0.469241 0.229274 O\n0.936488 0.976064 0.731067 O\n0.858111 0.396365 0.651683 O\n0.858603 0.893017 0.157010 O\n0.822516 0.095933 0.362075 O\n0.822335 0.603112 0.853011 O\n0.675706 0.146820 0.093018 O\n0.669850 0.626706 0.570393 O\n0.668339 0.340075 0.896089 O\n0.663967 0.818067 0.376207 O\n0.530560 0.418008 0.166790 O\n0.574703 0.312680 0.558636 O\n0.574754 0.810659 0.060828 O\n0.523006 0.905984 0.653929 O\n0.472892 0.096052 0.333680 O\n0.428447 0.190771 0.946126 O\n0.422211 0.685928 0.438299 O\n0.473111 0.598193 0.831040 O\n0.331482 0.175461 0.609513 O\n0.329163 0.370683 0.418448 O\n0.331224 0.672482 0.106188 O\n0.330101 0.872242 0.919265 O\n0.180233 0.396891 0.142715 O\n0.170648 0.897810 0.643657 O\n0.138264 0.105311 0.847336 O\n0.142411 0.603765 0.344560 O\n0.059022 0.020347 0.278781 O\n0.058893 0.520914 0.775666 O\n",
"nsites": 44,
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],
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"density": 2.5952430460691143,
"density_atomic": 0.07381371699664287,
"volume": 596.0951675418428,
"volume_molar": 8.158565921119909,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"updated_at": "2021-11-28T01:39:14.702000Z",
"spacegroup": 1
},
{
"id": "mp-769579",
"created_at": "2022-09-04T14:40:16.446552Z",
"structure_string": "K2 Fe2 P2 C2 O14\n1.0\n10.030647 0.000000 -0.107191\n0.000000 6.439156 0.000000\n0.178066 0.000000 5.442974\nK Fe P C O\n2 2 2 2 14\ndirect\n0.241529 0.420396 0.247079 K\n0.758471 0.920396 0.752921 K\n0.362431 0.773230 0.780292 Fe\n0.637569 0.273230 0.219708 Fe\n0.439760 0.266579 0.726984 P\n0.560240 0.766579 0.273016 P\n0.110110 0.743891 0.720381 C\n0.889890 0.243891 0.279619 C\n0.012137 0.219209 0.315903 O\n0.160506 0.752054 0.937066 O\n0.197378 0.760381 0.541387 O\n0.349324 0.076537 0.778112 O\n0.350590 0.459077 0.774923 O\n0.437085 0.761023 0.106996 O\n0.487347 0.265474 0.452851 O\n0.512653 0.765474 0.547149 O\n0.562915 0.261023 0.893004 O\n0.649410 0.959077 0.225077 O\n0.650676 0.576537 0.221888 O\n0.802622 0.260381 0.458613 O\n0.839494 0.252054 0.062934 O\n0.987863 0.719209 0.684097 O\n",
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"formula_full": "K2 Fe2 P2 C2 O14",
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"updated_at": "2021-11-28T01:34:54.945000Z",
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{
"id": "mp-756880",
"created_at": "2022-09-04T14:39:18.010153Z",
"structure_string": "K2 Ce2 P2 C2 O14\n1.0\n7.092321 0.000000 0.000000\n0.000000 5.818369 0.000000\n0.000000 0.086244 10.193922\nK Ce P C O\n2 2 2 2 14\ndirect\n0.543098 0.750984 0.781193 K\n0.043098 0.249016 0.218807 K\n0.225037 0.218664 0.650258 Ce\n0.725037 0.781336 0.349742 Ce\n0.732778 0.281243 0.564641 P\n0.232778 0.718757 0.435359 P\n0.267599 0.274428 0.915888 C\n0.767599 0.725572 0.084112 C\n0.776849 0.694191 0.964630 O\n0.261578 0.069253 0.858256 O\n0.260927 0.446279 0.826541 O\n0.908980 0.230189 0.650228 O\n0.552409 0.217398 0.642588 O\n0.245600 0.863248 0.563530 O\n0.727296 0.541874 0.527217 O\n0.227296 0.458126 0.472783 O\n0.745600 0.136752 0.436470 O\n0.052409 0.782602 0.357412 O\n0.408980 0.769811 0.349772 O\n0.760927 0.553721 0.173459 O\n0.761578 0.930747 0.141744 O\n0.276849 0.305809 0.035370 O\n",
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{
"id": "mp-1223559",
"created_at": "2022-09-04T14:42:21.535652Z",
"structure_string": "K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n",
"nsites": 16,
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"elements": [
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"Cd",
"C",
"N",
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"formula_full": "K1 Cr1 Cd1 C6 N6 O1",
"formula_reduced": "KCrCdC6N6O",
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{
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