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{
"id": "mp-1096799",
"created_at": "2022-09-04T14:40:41.760058Z",
"structure_string": "Al2 O4\n1.0\n1.488162 -5.402833 0.000000\n1.488162 5.402833 0.000000\n0.000000 0.000000 3.646612\nAl O\n2 4\ndirect\n0.331867 0.668133 0.750000 Al\n0.668133 0.331867 0.250000 Al\n0.705816 0.294184 0.750000 O\n0.294184 0.705816 0.250000 O\n0.938928 0.061072 0.750000 O\n0.061072 0.938928 0.250000 O\n",
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{
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"formula_full": "Al40 O60",
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{
"id": "mp-1182887",
"created_at": "2022-09-04T14:48:12.881832Z",
"structure_string": "Al4 O12\n1.0\n5.486950 0.000000 0.000000\n-0.968542 -6.022290 0.000000\n-0.529114 0.052386 -6.935052\nAl O\n4 12\ndirect\n0.520558 0.834422 0.171124 Al\n0.479442 0.165578 0.828876 Al\n0.004716 0.671817 0.332260 Al\n0.995284 0.328183 0.667740 Al\n0.245619 0.920507 0.278159 O\n0.754381 0.079493 0.721841 O\n0.715174 0.413095 0.767222 O\n0.284826 0.586905 0.232778 O\n0.137804 0.610755 0.579504 O\n0.862196 0.389245 0.420496 O\n0.641963 0.116360 0.069653 O\n0.358037 0.883640 0.930347 O\n0.739328 0.813791 0.388024 O\n0.260672 0.186209 0.611976 O\n0.209198 0.299392 0.886453 O\n0.790802 0.700608 0.113547 O\n",
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"density": 2.173254669377904,
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"volume_molar": 8.625282120704199,
"formula_full": "Al4 O12",
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"spacegroup": 2
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{
"id": "mp-642363",
"created_at": "2022-09-04T14:39:23.042672Z",
"structure_string": "Al4 O6\n1.0\n1.336959 -4.477065 0.000000\n1.336959 4.477065 0.000000\n0.000000 0.000000 7.045032\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.246019 0.753981 0.250000 Al\n0.753981 0.246019 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.633200 0.366800 0.419938 O\n0.892661 0.107339 0.250000 O\n0.366800 0.633200 0.580062 O\n0.366800 0.633200 0.919938 O\n0.107339 0.892661 0.750000 O\n0.633200 0.366800 0.080062 O\n",
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{
"id": "mp-734251",
"created_at": "2022-09-04T14:45:14.760937Z",
"structure_string": "Al4 O8\n1.0\n3.005076 0.000000 0.000000\n0.000000 4.157061 0.000000\n0.000000 0.000000 10.612694\nAl O\n4 8\ndirect\n0.250000 0.640283 0.661915 Al\n0.250000 0.859717 0.161915 Al\n0.750000 0.359717 0.338085 Al\n0.750000 0.140283 0.838085 Al\n0.750000 0.843430 0.960736 O\n0.750000 0.656570 0.460736 O\n0.250000 0.156570 0.039264 O\n0.250000 0.343430 0.539264 O\n0.750000 0.649643 0.202984 O\n0.750000 0.850357 0.702984 O\n0.250000 0.350357 0.797016 O\n0.250000 0.149643 0.297016 O\n",
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"volume": 132.5767900175049,
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"formula_full": "Al4 O8",
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{
"id": "mp-1245215",
"created_at": "2022-09-04T14:47:00.985737Z",
"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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"formula_full": "Al36 O18",
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{
"id": "mp-1182893",
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"structure_string": "Al10 O16\n1.0\n2.802596 -4.854239 0.000000\n2.802596 4.854239 0.000000\n0.000000 0.000000 8.971693\nAl O\n10 16\ndirect\n0.838393 0.161607 0.869132 Al\n0.838393 0.676786 0.869132 Al\n0.323214 0.161607 0.869132 Al\n0.161607 0.838393 0.369132 Al\n0.161607 0.323214 0.369132 Al\n0.676786 0.838393 0.369132 Al\n0.333333 0.666667 0.648246 Al\n0.666667 0.333333 0.148246 Al\n0.666667 0.333333 0.557066 Al\n0.333333 0.666667 0.057066 Al\n0.000000 0.000000 0.471032 O\n0.000000 0.000000 0.971032 O\n0.487386 0.512614 0.499628 O\n0.487386 0.974771 0.499628 O\n0.025229 0.512614 0.499628 O\n0.512614 0.487386 0.999628 O\n0.512614 0.025229 0.999628 O\n0.974771 0.487386 0.999628 O\n0.659809 0.829904 0.758455 O\n0.170096 0.829904 0.758455 O\n0.170096 0.340191 0.758455 O\n0.340191 0.170096 0.258455 O\n0.829904 0.170096 0.258455 O\n0.829904 0.659809 0.258455 O\n0.666667 0.333333 0.760062 O\n0.333333 0.666667 0.260062 O\n",
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{
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}