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{
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{
"id": "mp-1218121",
"created_at": "2022-09-04T14:42:09.804268Z",
"structure_string": "Ta4 Ga2 Co6\n1.0\n2.450495 -4.244382 0.000000\n2.450495 4.244382 0.000000\n0.000000 0.000000 7.630064\nTa Ga Co\n4 2 6\ndirect\n0.333333 0.666667 0.439362 Ta\n0.666667 0.333333 0.560638 Ta\n0.666667 0.333333 0.939362 Ta\n0.333333 0.666667 0.060638 Ta\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.827404 0.172596 0.250000 Co\n0.827404 0.654808 0.250000 Co\n0.345192 0.172596 0.250000 Co\n0.172596 0.827404 0.750000 Co\n0.172596 0.345192 0.750000 Co\n0.654808 0.827404 0.750000 Co\n",
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{
"id": "mp-1232176",
"created_at": "2022-09-04T14:42:09.657135Z",
"structure_string": "Ce8 Mg4 Se16\n1.0\n8.433083 0.000000 0.000000\n0.000000 7.666368 0.000000\n0.000000 0.000000 12.417972\nCe Mg Se\n8 4 16\ndirect\n0.043553 0.750000 0.313005 Ce\n0.956447 0.250000 0.686995 Ce\n0.456447 0.250000 0.813005 Ce\n0.543553 0.750000 0.186995 Ce\n0.068370 0.250000 0.030509 Ce\n0.931630 0.750000 0.969491 Ce\n0.431630 0.750000 0.530509 Ce\n0.568370 0.250000 0.469491 Ce\n0.183866 0.250000 0.413237 Mg\n0.816134 0.750000 0.586763 Mg\n0.316134 0.750000 0.913237 Mg\n0.683866 0.250000 0.086763 Mg\n0.144707 0.497283 0.843125 Se\n0.855293 0.502717 0.156875 Se\n0.355293 0.502717 0.343125 Se\n0.644707 0.497283 0.656875 Se\n0.644707 0.002717 0.656875 Se\n0.355293 0.997283 0.343125 Se\n0.855293 0.997283 0.156875 Se\n0.144707 0.002717 0.843125 Se\n0.898545 0.250000 0.451946 Se\n0.101455 0.750000 0.548054 Se\n0.601455 0.750000 0.951946 Se\n0.398545 0.250000 0.048054 Se\n0.212238 0.750000 0.109078 Se\n0.787762 0.250000 0.890922 Se\n0.287762 0.250000 0.609078 Se\n0.712238 0.750000 0.390922 Se\n",
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"updated_at": "2021-11-28T01:35:34.213000Z",
"spacegroup": 62
},
{
"id": "mp-1232202",
"created_at": "2022-09-04T14:42:09.670363Z",
"structure_string": "Ce16 Mg8 S32\n1.0\n7.767012 0.000000 0.000000\n0.000000 12.926206 0.000000\n0.000000 0.000000 12.936587\nCe Mg S\n16 8 32\ndirect\n0.885252 0.684728 0.108601 Ce\n0.114748 0.184728 0.891399 Ce\n0.885252 0.184728 0.391399 Ce\n0.114748 0.684728 0.608601 Ce\n0.384224 0.327302 0.124278 Ce\n0.615776 0.827302 0.875722 Ce\n0.384224 0.827302 0.375722 Ce\n0.615776 0.327302 0.624278 Ce\n0.629394 0.993733 0.133451 Ce\n0.370606 0.493733 0.866549 Ce\n0.629394 0.493733 0.366549 Ce\n0.370606 0.993733 0.633451 Ce\n0.128911 0.993226 0.134118 Ce\n0.871089 0.493226 0.865882 Ce\n0.128911 0.493226 0.365882 Ce\n0.871089 0.993226 0.634118 Ce\n0.383149 0.692801 0.108584 Mg\n0.616851 0.192801 0.891416 Mg\n0.383149 0.192801 0.391416 Mg\n0.616851 0.692801 0.608584 Mg\n0.878009 0.320660 0.123557 Mg\n0.121991 0.820660 0.876443 Mg\n0.878009 0.820660 0.376443 Mg\n0.121991 0.320660 0.623557 Mg\n0.880606 0.878289 0.011721 S\n0.119394 0.378289 0.988279 S\n0.880606 0.378289 0.488279 S\n0.119394 0.878289 0.511721 S\n0.380283 0.130338 0.028670 S\n0.619717 0.630338 0.971330 S\n0.380283 0.630338 0.471330 S\n0.619717 0.130338 0.528670 S\n0.370445 0.867489 0.022084 S\n0.629555 0.367489 0.977916 S\n0.370445 0.367489 0.477916 S\n0.629555 0.867489 0.522084 S\n0.871236 0.140494 0.043705 S\n0.128764 0.640494 0.956295 S\n0.871236 0.640494 0.456295 S\n0.128764 0.140494 0.543705 S\n0.878762 0.497551 0.209161 S\n0.121238 0.997551 0.790839 S\n0.878762 0.997551 0.290839 S\n0.121238 0.497551 0.709161 S\n0.380338 0.522393 0.209137 S\n0.619662 0.022393 0.790863 S\n0.380338 0.022393 0.290863 S\n0.619662 0.522393 0.709137 S\n0.131284 0.772856 0.233335 S\n0.868716 0.272856 0.766665 S\n0.131284 0.272856 0.266665 S\n0.868716 0.772856 0.733335 S\n0.633847 0.775140 0.232197 S\n0.366153 0.275140 0.767803 S\n0.633847 0.275140 0.267803 S\n0.366153 0.775140 0.732197 S\n",
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"elements": [
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"chemical_system": "Ce-Mg-S",
"density": 4.426684436497701,
"density_atomic": 0.043116476662573996,
"volume": 1298.8074243229892,
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"formula_full": "Ce16 Mg8 S32",
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"formula_anonymous": "AB2C4",
"energy": -357.74741569,
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"updated_at": "2021-11-28T01:35:40.756000Z",
"spacegroup": 29
},
{
"id": "mp-1235032",
"created_at": "2022-09-04T14:42:10.420041Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.046177 -0.022234 5.902728\n-0.040506 5.725480 -0.025860\n-8.212093 2.911937 2.866285\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.116815 0.635139 0.783088 Sr\n0.785442 0.329022 0.225663 Sr\n0.663048 0.078230 0.774356 Sr\n0.341479 0.926642 0.222088 Sr\n0.218927 0.473268 0.159475 Li\n0.550675 0.511663 0.939206 Mn\n0.005929 0.997629 0.998352 Mn\n0.677882 0.671824 0.493173 Ga\n0.319056 0.322452 0.516546 Ga\n0.213582 0.282020 0.013170 O\n0.276980 0.784099 0.996159 O\n0.736630 0.212950 0.996346 O\n0.785449 0.725546 0.996359 O\n0.688236 0.678212 0.692369 O\n0.336649 0.303344 0.315967 O\n0.118641 0.121359 0.712814 O\n0.878362 0.877299 0.296179 O\n0.344310 0.668205 0.498849 O\n0.656195 0.329666 0.505554 O\n",
"nsites": 19,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Li-Mn-O-Sr",
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"density_atomic": 0.06844547088190704,
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"volume_molar": 8.798450331929706,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
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"energy": -130.4761179,
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"spacegroup": 1
},
{
"id": "mp-1044625",
"created_at": "2022-09-04T14:42:11.332118Z",
"structure_string": "Ca6 Ag12 O24\n1.0\n3.322560 -5.754844 0.000000\n3.322560 5.754844 0.000000\n0.000000 0.000000 16.154645\nCa Ag O\n6 12 24\ndirect\n0.333333 0.666667 0.954694 Ca\n0.000000 0.000000 0.621569 Ca\n0.000000 0.000000 0.000243 Ca\n0.666667 0.333333 0.284220 Ca\n0.333333 0.666667 0.714258 Ca\n0.000000 0.000000 0.373834 Ca\n0.834351 0.668701 0.833946 Ag\n0.331299 0.165649 0.833946 Ag\n0.498650 0.997300 0.498971 Ag\n0.834351 0.165649 0.833946 Ag\n0.666667 0.333333 0.665792 Ag\n0.002700 0.501350 0.498971 Ag\n0.169102 0.338204 0.166266 Ag\n0.498650 0.501350 0.498971 Ag\n0.169102 0.830898 0.166266 Ag\n0.333333 0.666667 0.334040 Ag\n0.661796 0.830898 0.166266 Ag\n0.666667 0.333333 0.042080 Ag\n0.694606 0.847303 0.903051 O\n0.000000 0.000000 0.760110 O\n0.152697 0.847303 0.903051 O\n0.152697 0.305394 0.903051 O\n0.525332 0.050663 0.760556 O\n0.374440 0.187220 0.576573 O\n0.525332 0.474668 0.760556 O\n0.666667 0.333333 0.908385 O\n0.812780 0.187220 0.576573 O\n0.666667 0.333333 0.428793 O\n0.949337 0.474668 0.760556 O\n0.812780 0.625560 0.576573 O\n0.184077 0.368154 0.421443 O\n0.042126 0.521063 0.245318 O\n0.184077 0.815923 0.421443 O\n0.333333 0.666667 0.573235 O\n0.333333 0.666667 0.094029 O\n0.478937 0.521063 0.245318 O\n0.631846 0.815923 0.421443 O\n0.478937 0.957874 0.245318 O\n0.845031 0.690062 0.098048 O\n0.000000 0.000000 0.233320 O\n0.845031 0.154969 0.098048 O\n0.309938 0.154969 0.098048 O\n",
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"volume": 617.7799400911972,
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"formula_full": "Ca6 Ag12 O24",
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"spacegroup": 156
},
{
"id": "mp-1042979",
"created_at": "2022-09-04T14:42:11.836151Z",
"structure_string": "Zn2 Bi4 O10\n1.0\n2.170467 -5.494216 0.000000\n2.170467 5.494216 0.000000\n0.000000 0.000000 10.927140\nZn Bi O\n2 4 10\ndirect\n0.182866 0.817134 0.750000 Zn\n0.817134 0.182866 0.250000 Zn\n0.859808 0.140192 0.570558 Bi\n0.140192 0.859808 0.429442 Bi\n0.140192 0.859808 0.070558 Bi\n0.859808 0.140192 0.929442 Bi\n0.240785 0.759215 0.250000 O\n0.759215 0.240785 0.750000 O\n0.696659 0.303341 0.079764 O\n0.303341 0.696659 0.920236 O\n0.303341 0.696659 0.579764 O\n0.696659 0.303341 0.420236 O\n0.054338 0.945662 0.614661 O\n0.945662 0.054338 0.385339 O\n0.054338 0.945662 0.885339 O\n0.945662 0.054338 0.114661 O\n",
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"volume": 260.61260629949396,
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"formula_full": "Zn2 Bi4 O10",
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"energy": -90.91587993,
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"spacegroup": 63
},
{
"id": "mp-1214968",
"created_at": "2022-09-04T14:42:09.682400Z",
"structure_string": "Be4 Ni2 N4 O12 F16\n1.0\n-6.033253 0.000000 1.678887\n0.047784 0.000000 -8.540810\n0.000000 -11.729088 0.000000\nBe Ni N O F\n4 2 4 12 16\ndirect\n0.723810 0.555252 0.895819 Be\n0.276190 0.444748 0.104181 Be\n0.276190 0.944748 0.395819 Be\n0.723810 0.055252 0.604181 Be\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.951743 0.592991 0.170872 N\n0.048257 0.407009 0.829128 N\n0.048257 0.907009 0.670872 N\n0.951743 0.092991 0.329128 N\n0.770964 0.975924 0.965779 O\n0.229036 0.024076 0.034221 O\n0.229036 0.524076 0.465779 O\n0.770964 0.475924 0.534221 O\n0.390713 0.591140 0.620220 O\n0.609287 0.408860 0.379780 O\n0.609287 0.908860 0.120220 O\n0.390713 0.091140 0.879780 O\n0.364807 0.843771 0.898650 O\n0.635193 0.156229 0.101350 O\n0.635193 0.656229 0.398650 O\n0.364807 0.343771 0.601350 O\n0.053265 0.755145 0.686080 F\n0.946735 0.244855 0.313920 F\n0.946735 0.744855 0.186080 F\n0.053265 0.255145 0.813920 F\n0.908210 0.683717 0.932243 F\n0.091790 0.316283 0.067757 F\n0.091790 0.816283 0.432243 F\n0.908210 0.183717 0.567757 F\n0.802870 0.883875 0.643266 F\n0.197130 0.116125 0.356734 F\n0.197130 0.616125 0.143266 F\n0.802870 0.383875 0.856734 F\n0.493581 0.523578 0.871181 F\n0.506419 0.476422 0.128819 F\n0.506419 0.976422 0.371181 F\n0.493581 0.023578 0.628819 F\n",
"nsites": 38,
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"elements": [
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"volume": 603.445668482283,
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"formula_full": "Be4 Ni2 N4 O12 F16",
"formula_reduced": "Be2NiN2(O3F4)2",
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"energy": -179.00485891,
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"spacegroup": 14
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{
"id": "mp-775903",
"created_at": "2022-09-04T14:42:09.694758Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n0.411942 -7.098473 0.263103\n-8.658641 0.256892 0.068563\n0.525587 2.997093 -9.755924\nLi Mn P O\n8 4 8 28\ndirect\n0.626493 0.851166 0.292622 Li\n0.626430 0.851205 0.792591 Li\n0.337171 0.676917 0.007916 Li\n0.337190 0.676851 0.507871 Li\n0.927121 0.399665 0.028000 Li\n0.927053 0.399538 0.528036 Li\n0.375525 0.155543 0.209798 Li\n0.375521 0.155443 0.709768 Li\n0.507196 0.494724 0.754462 Mn\n0.005110 0.004679 0.500341 Mn\n0.507476 0.494570 0.254587 Mn\n0.004874 0.004874 0.000722 Mn\n0.183667 0.797980 0.273787 P\n0.183667 0.797975 0.773889 P\n0.770623 0.690681 0.063206 P\n0.770638 0.690641 0.563284 P\n0.226740 0.317729 0.435161 P\n0.226703 0.317714 0.935171 P\n0.816227 0.204191 0.231626 P\n0.816222 0.204197 0.731626 P\n0.210937 0.945444 0.202611 O\n0.210982 0.945322 0.702519 O\n0.763887 0.841063 0.491551 O\n0.763727 0.841104 0.991579 O\n0.139749 0.820062 0.409692 O\n0.139768 0.820262 0.909762 O\n0.629199 0.686428 0.150665 O\n0.629024 0.686471 0.650573 O\n0.364008 0.702947 0.298523 O\n0.363940 0.702879 0.798643 O\n0.997318 0.680759 0.165830 O\n0.997237 0.680759 0.665944 O\n0.731256 0.544091 0.463857 O\n0.731181 0.544109 0.963815 O\n0.269606 0.462418 0.038611 O\n0.269476 0.462399 0.538600 O\n0.984897 0.321260 0.356281 O\n0.984931 0.321312 0.856262 O\n0.628784 0.286416 0.210838 O\n0.628787 0.286507 0.710739 O\n0.328811 0.327114 0.325910 O\n0.328841 0.326961 0.825919 O\n0.892095 0.201384 0.107867 O\n0.892125 0.201267 0.607881 O\n0.247459 0.167056 0.007183 O\n0.247551 0.167032 0.507144 O\n0.799098 0.046650 0.291685 O\n0.799016 0.046742 0.791760 O\n",
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"formula_full": "Li8 Mn4 P8 O28",
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