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{
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{
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{
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},
{
"id": "mp-28546",
"created_at": "2022-09-04T14:39:27.984625Z",
"structure_string": "Eu8 Cl12 O2\n1.0\n4.745555 -8.219543 0.000000\n4.745555 8.219543 0.000000\n0.000000 0.000000 7.193870\nEu Cl O\n8 12 2\ndirect\n0.802962 0.197038 0.500892 Eu\n0.605924 0.802962 0.000892 Eu\n0.197038 0.394076 0.000892 Eu\n0.802962 0.605924 0.500892 Eu\n0.394076 0.197038 0.500892 Eu\n0.197038 0.802962 0.000892 Eu\n0.666667 0.333333 0.933496 Eu\n0.333333 0.666667 0.433496 Eu\n0.465829 0.931657 0.714851 Cl\n0.534171 0.068343 0.214851 Cl\n0.931657 0.465829 0.214851 Cl\n0.465829 0.534171 0.714851 Cl\n0.857858 0.142142 0.891259 Cl\n0.715716 0.857858 0.391259 Cl\n0.534171 0.465829 0.214851 Cl\n0.068343 0.534171 0.714851 Cl\n0.142142 0.857858 0.391259 Cl\n0.284284 0.142142 0.891259 Cl\n0.857858 0.715716 0.891259 Cl\n0.142142 0.284284 0.391259 Cl\n0.333333 0.666667 0.106597 O\n0.666667 0.333333 0.606597 O\n",
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{
"id": "mp-1229209",
"created_at": "2022-09-04T14:43:52.807400Z",
"structure_string": "Ag12 Hg2 Ge2 Se12\n1.0\n7.793247 0.000000 0.000000\n0.000000 8.248364 0.000000\n0.000000 0.000000 11.111678\nAg Hg Ge Se\n12 2 2 12\ndirect\n0.403455 0.000000 0.025438 Ag\n0.596545 0.500000 0.525438 Ag\n0.912684 0.215272 0.836570 Ag\n0.912684 0.784728 0.836570 Ag\n0.087316 0.284728 0.336570 Ag\n0.087316 0.715272 0.336570 Ag\n0.469807 0.244330 0.284286 Ag\n0.469807 0.755670 0.284286 Ag\n0.530193 0.255670 0.784286 Ag\n0.530193 0.744330 0.784286 Ag\n0.242640 0.000000 0.491176 Ag\n0.757360 0.500000 0.991176 Ag\n0.949017 0.000000 0.149410 Hg\n0.050983 0.500000 0.649410 Hg\n0.753124 0.000000 0.528572 Ge\n0.246876 0.500000 0.028572 Ge\n0.737430 0.000000 0.978595 Se\n0.262570 0.500000 0.478595 Se\n0.498294 0.000000 0.646209 Se\n0.501706 0.500000 0.146209 Se\n0.243609 0.259016 0.908481 Se\n0.243609 0.740984 0.908481 Se\n0.756391 0.240984 0.408481 Se\n0.756391 0.759016 0.408481 Se\n0.995785 0.000000 0.656327 Se\n0.004215 0.500000 0.156327 Se\n0.249169 0.000000 0.253898 Se\n0.750831 0.500000 0.753898 Se\n",
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"formula_full": "Ag12 Hg2 Ge2 Se12",
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},
{
"id": "mp-10547",
"created_at": "2022-09-04T14:44:42.148762Z",
"structure_string": "Rb4 Au4 O4\n1.0\n-5.073157 5.073157 2.973542\n5.073157 -5.073157 2.973542\n5.073157 5.073157 -2.973542\nRb Au O\n4 4 4\ndirect\n0.193297 0.500000 0.693297 Rb\n0.500000 0.193297 0.693297 Rb\n0.500000 0.806703 0.306703 Rb\n0.806703 0.500000 0.306703 Rb\n0.851621 0.851621 0.703243 Au\n0.148379 0.851621 0.000000 Au\n0.851621 0.148379 0.000000 Au\n0.148379 0.148379 0.296757 Au\n0.712666 0.000000 0.712666 O\n0.000000 0.712666 0.712666 O\n0.000000 0.287334 0.287334 O\n0.287334 0.000000 0.287334 O\n",
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{
"id": "mp-12719",
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"structure_string": "Li1 Nd1 Sn1\n1.0\n0.000000 3.369778 3.369778\n3.369778 0.000000 3.369778\n3.369778 3.369778 0.000000\nLi Nd Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sn\n",
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},
{
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"structure_string": "Cs2 Nb4 S8\n1.0\n-1.741376 -3.013944 0.000000\n-5.069643 2.924791 0.000000\n0.000000 0.000000 -17.530613\nCs Nb S\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000252 0.000933 0.749997 Nb\n0.500252 0.500933 0.750003 Nb\n0.999748 0.999067 0.250003 Nb\n0.499748 0.499067 0.249997 Nb\n0.499934 0.166294 0.662331 S\n0.999896 0.664508 0.662316 S\n0.000104 0.335492 0.337684 S\n0.500066 0.833706 0.337669 S\n0.000066 0.333706 0.162331 S\n0.500104 0.835492 0.162316 S\n0.499896 0.164508 0.837684 S\n0.999934 0.666294 0.837669 S\n",
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{
"id": "mp-1219674",
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"structure_string": "Rb8 Hg3 Ge43\n1.0\n7.867262 -7.868528 0.000000\n7.867262 7.868528 0.000000\n-0.002532 0.000000 11.126883\nRb Hg Ge\n8 3 43\ndirect\n0.249870 0.249870 0.249870 Rb\n0.750130 0.750130 0.750130 Rb\n0.500000 0.249663 0.750337 Rb\n0.249663 0.750337 0.500000 Rb\n0.750337 0.500000 0.249663 Rb\n0.000000 0.249657 0.750343 Rb\n0.249657 0.750343 0.000000 Rb\n0.750343 0.000000 0.249657 Rb\n0.749921 0.250079 0.000000 Hg\n0.250079 0.000000 0.749921 Hg\n0.000000 0.749921 0.250079 Hg\n0.553938 0.249839 0.367797 Ge\n0.249839 0.367797 0.553938 Ge\n0.367797 0.553938 0.249839 Ge\n0.946556 0.249921 0.133449 Ge\n0.249921 0.133449 0.946556 Ge\n0.133449 0.946556 0.249921 Ge\n0.249821 0.367687 0.946241 Ge\n0.133541 0.553602 0.250008 Ge\n0.250008 0.133541 0.553602 Ge\n0.367687 0.946241 0.249821 Ge\n0.553602 0.250008 0.133541 Ge\n0.946241 0.249821 0.367687 Ge\n0.632203 0.750161 0.446062 Ge\n0.446398 0.866459 0.749992 Ge\n0.750179 0.053759 0.632313 Ge\n0.866551 0.750079 0.053444 Ge\n0.053759 0.632313 0.750179 Ge\n0.749992 0.446398 0.866459 Ge\n0.053444 0.866551 0.750079 Ge\n0.750079 0.053444 0.866551 Ge\n0.446062 0.632203 0.750161 Ge\n0.750161 0.446062 0.632203 Ge\n0.866459 0.749992 0.446398 Ge\n0.632313 0.750179 0.053759 Ge\n0.434462 0.434462 0.434462 Ge\n0.067544 0.067544 0.067544 Ge\n0.066670 0.433324 0.066921 Ge\n0.433885 0.066283 0.434071 Ge\n0.433324 0.066921 0.066670 Ge\n0.066283 0.434071 0.433885 Ge\n0.066921 0.066670 0.433324 Ge\n0.434071 0.433885 0.066283 Ge\n0.565929 0.933717 0.566115 Ge\n0.933079 0.566676 0.933330 Ge\n0.932456 0.932456 0.932456 Ge\n0.565538 0.565538 0.565538 Ge\n0.933717 0.566115 0.565929 Ge\n0.566676 0.933330 0.933079 Ge\n0.566115 0.565929 0.933717 Ge\n0.933330 0.933079 0.566676 Ge\n0.749787 0.250213 0.500000 Ge\n0.250213 0.500000 0.749787 Ge\n0.500000 0.749787 0.250213 Ge\n",
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{
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"structure_string": "Al36 O18\n1.0\n5.605583 0.064038 -0.018773\n2.858849 4.931244 0.027185\n-0.141646 0.358814 50.173018\nAl O\n36 18\nSelective dynamics\ndirect\n0.492068 0.507948 0.001058 T T T Al\n0.992314 0.507576 0.001381 T T T Al\n0.492367 0.007719 0.001258 T T T Al\n0.162726 0.170450 0.048738 T T T Al\n0.163628 0.671100 0.048585 T T T Al\n0.663246 0.670335 0.048749 T T T Al\n0.664311 0.171439 0.048600 T T T Al\n0.333325 0.333350 0.095239 F F F Al\n0.333325 0.833350 0.095239 F F F Al\n0.833325 0.833350 0.095239 F F F Al\n0.833325 0.333350 0.095239 F F F Al\n0.999992 0.500017 0.142858 F F F Al\n0.499992 0.500017 0.142858 F F F Al\n0.499992 0.000017 0.142858 F F F Al\n0.999992 0.000017 0.142858 F F F Al\n0.177437 0.165990 0.188460 T T T Al\n0.673616 0.160473 0.189026 T T T Al\n0.677631 0.667830 0.188673 T T T Al\n0.173567 0.662641 0.189506 T T T Al\n0.853626 0.331445 0.232936 T T T Al\n0.356565 0.835838 0.233365 T T T Al\n0.359403 0.336526 0.239022 T T T Al\n0.859166 0.844007 0.241187 T T T Al\n0.953089 0.428234 0.281365 T T T Al\n0.508618 0.952835 0.293816 T T T Al\n0.430689 0.442046 0.309035 T T T Al\n0.977319 0.984540 0.324831 T T T Al\n0.254887 0.704178 0.368855 T T T Al\n0.789378 0.285973 0.381935 T T T Al\n0.647919 0.831395 0.385101 T T T Al\n0.220200 0.380731 0.416415 T T T Al\n0.193740 0.936450 0.430013 T T T Al\n0.090522 0.668003 0.475912 T T T Al\n0.500731 0.078667 0.477468 T T T Al\n0.816147 0.348055 0.486497 T T T Al\n0.992173 0.007870 0.001026 T T T Al\n0.338487 0.327779 0.279463 T T T O\n0.853443 0.799716 0.278310 T T T O\n0.624605 0.590738 0.300888 T T T O\n0.132141 0.100920 0.302280 T T T O\n0.621147 0.100042 0.321805 T T T O\n0.183470 0.631813 0.333372 T T T O\n0.027298 0.055908 0.358953 T T T O\n0.622412 0.592809 0.361572 T T T O\n0.017422 0.649618 0.389158 T T T O\n0.527532 0.193601 0.390178 T T T O\n0.403910 0.772637 0.401833 T T T O\n0.965328 0.259398 0.412370 T T T O\n0.167182 0.646107 0.439818 T T T O\n0.375541 0.098604 0.442780 T T T O\n0.864007 0.039347 0.471579 T T T O\n0.759849 0.686803 0.482275 T T T O\n0.443423 0.445300 0.487683 T T T O\n0.177641 0.187322 0.494087 T T T O\n",
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],
"chemical_system": "Al-O",
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"volume": 1377.6348070464226,
"volume_molar": 15.363538377609252,
"formula_full": "Al36 O18",
"formula_reduced": "Al2O",
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"updated_at": "2021-11-28T01:37:44.660000Z",
"spacegroup": 1
},
{
"id": "mp-11830",
"created_at": "2022-09-04T14:48:12.558399Z",
"structure_string": "Li1 Ce1 Sn1\n1.0\n0.000000 3.369866 3.369866\n3.369866 0.000000 3.369866\n3.369866 3.369866 0.000000\nLi Ce Sn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ce",
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],
"chemical_system": "Ce-Li-Sn",
"density": 5.766101199821208,
"density_atomic": 0.03919704824947586,
"volume": 76.53637541546551,
"volume_molar": 15.363760867071226,
"formula_full": "Li1 Ce1 Sn1",
"formula_reduced": "LiCeSn",
"formula_anonymous": "ABC",
"energy": -12.94012209,
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"updated_at": "2021-11-28T01:38:45.419000Z",
"spacegroup": 216
},
{
"id": "mp-726642",
"created_at": "2022-09-04T14:45:25.272025Z",
"structure_string": "Cd4 C4 N12 Cl8 O4\n1.0\n7.030841 0.000000 0.000000\n0.000000 9.344638 0.000000\n0.000000 0.000000 12.425902\nCd C N Cl O\n4 4 12 8 4\ndirect\n0.051289 0.295516 0.041542 Cd\n0.948711 0.704484 0.541542 Cd\n0.448711 0.795516 0.541542 Cd\n0.551289 0.204484 0.041542 Cd\n0.064157 0.707920 0.130719 C\n0.935843 0.292080 0.630719 C\n0.435843 0.207920 0.630719 C\n0.564157 0.792080 0.130719 C\n0.879641 0.656317 0.893611 N\n0.120359 0.343683 0.393611 N\n0.620359 0.156317 0.393611 N\n0.379641 0.843683 0.893611 N\n0.896438 0.537984 0.898894 N\n0.103562 0.462016 0.398894 N\n0.603562 0.037984 0.398894 N\n0.396438 0.962016 0.898894 N\n0.039725 0.836216 0.115776 N\n0.960275 0.163784 0.615776 N\n0.460275 0.336216 0.615776 N\n0.539725 0.663784 0.115776 N\n0.778199 0.340237 0.170054 Cl\n0.221801 0.659763 0.670054 Cl\n0.721801 0.840237 0.670054 Cl\n0.278199 0.159763 0.170054 Cl\n0.831305 0.137746 0.925324 Cl\n0.168695 0.862254 0.425324 Cl\n0.668695 0.637746 0.425324 Cl\n0.331305 0.362254 0.925324 Cl\n0.084963 0.582207 0.146179 O\n0.915037 0.417793 0.646179 O\n0.415037 0.082207 0.646179 O\n0.584963 0.917793 0.146179 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
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"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cd-Cl-N-O",
"density": 2.0612350315510954,
"density_atomic": 0.03919695186284568,
"volume": 816.3900119573435,
"volume_molar": 15.363798647078768,
"formula_full": "Cd4 C4 N12 Cl8 O4",
"formula_reduced": "CdCN3Cl2O",
"formula_anonymous": "ABCD2E3",
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"total_magnetization": 3.9996793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.421000Z",
"spacegroup": 33
}
]
}