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{
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{
"id": "mp-1228178",
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"structure_string": "Ba3 Sr1 Y2 Sb2 O12\n1.0\n6.000252 0.000000 0.000000\n2.999711 5.201332 0.000000\n2.999697 1.719191 9.795561\nBa Sr Y Sb O\n3 1 2 2 12\ndirect\n0.624540 0.624450 0.126580 Ba\n0.125417 0.125559 0.623404 Ba\n0.374214 0.375133 0.874592 Ba\n0.876148 0.874814 0.375525 Sr\n0.999534 0.999688 0.001330 Y\n0.500431 0.500291 0.498696 Y\n0.249060 0.249469 0.251810 Sb\n0.750910 0.750568 0.748161 Sb\n0.128629 0.606949 0.134969 O\n0.634371 0.103518 0.628195 O\n0.867606 0.394928 0.867865 O\n0.369323 0.894703 0.368937 O\n0.327965 0.387462 0.378788 O\n0.838418 0.878736 0.877713 O\n0.666688 0.627032 0.615934 O\n0.161975 0.121106 0.122757 O\n0.884833 0.348618 0.358560 O\n0.385974 0.857861 0.857782 O\n0.618747 0.136787 0.147931 O\n0.115217 0.642328 0.640472 O\n",
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"spacegroup": 1
},
{
"id": "mp-1520523",
"created_at": "2022-09-04T14:41:36.852742Z",
"structure_string": "Ba2 Sr2 Tb2 Sb2 O12\n1.0\n5.976392 0.009640 0.009618\n0.011650 5.976476 -0.012439\n0.015748 -0.015601 8.443569\nBa Sr Tb Sb O\n2 2 2 2 12\ndirect\n0.996383 0.015232 0.249837 Ba\n0.003617 0.984768 0.750163 Ba\n0.502888 0.525312 0.251403 Sr\n0.497112 0.474688 0.748597 Sr\n0.500000 0.000000 -0.000000 Tb\n-0.000000 0.500000 0.500000 Tb\n-0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.212980 0.241550 0.971615 O\n0.295182 0.734167 0.531842 O\n0.787020 0.758450 0.028385 O\n0.704818 0.265833 0.468158 O\n0.262521 0.707707 0.965619 O\n0.241838 0.213965 0.524006 O\n0.737479 0.292293 0.034381 O\n0.758162 0.786035 0.475994 O\n0.452753 0.977160 0.264420 O\n0.065819 0.499760 0.235009 O\n0.547247 0.022840 0.735580 O\n0.934181 0.500240 0.764991 O\n",
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"formula_full": "Ba2 Sr2 Tb2 Sb2 O12",
"formula_reduced": "BaSrTbSbO6",
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"updated_at": "2021-11-28T01:35:25.728000Z",
"spacegroup": 2
},
{
"id": "mp-1520387",
"created_at": "2022-09-04T14:43:39.927354Z",
"structure_string": "Ba4 Sr4 Tb4 Sb4 O24\n1.0\n8.468206 0.000000 0.000000\n0.000000 8.465692 0.000000\n0.000000 0.000000 8.460825\nBa Sr Tb Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.252043 0.250488 0.250764 Tb\n0.747957 0.749512 0.250764 Tb\n0.747957 0.250488 0.749236 Tb\n0.252043 0.749512 0.749236 Tb\n0.746687 0.749219 0.749934 Sb\n0.253313 0.250781 0.749934 Sb\n0.253313 0.749219 0.250066 Sb\n0.746687 0.250781 0.250066 Sb\n0.984330 0.229395 0.268780 O\n0.015670 0.770605 0.268780 O\n0.015670 0.229395 0.731220 O\n0.984330 0.770605 0.731220 O\n0.279168 0.985870 0.224556 O\n0.279168 0.014130 0.775444 O\n0.720832 0.014130 0.224556 O\n0.720832 0.985870 0.775444 O\n0.233204 0.272849 0.986630 O\n0.766796 0.272849 0.013370 O\n0.233204 0.727151 0.013370 O\n0.766796 0.727151 0.986630 O\n0.512606 0.282220 0.223244 O\n0.487394 0.717780 0.223244 O\n0.487394 0.282220 0.776756 O\n0.512606 0.717780 0.776756 O\n0.225722 0.513922 0.281873 O\n0.225722 0.486078 0.718127 O\n0.774278 0.486078 0.281873 O\n0.774278 0.513922 0.718127 O\n0.280668 0.220929 0.514890 O\n0.719332 0.220929 0.485110 O\n0.280668 0.779071 0.485110 O\n0.719332 0.779071 0.514890 O\n",
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"density_atomic": 0.06594675051678618,
"volume": 606.5499768607756,
"volume_molar": 9.131823346575834,
"formula_full": "Ba4 Sr4 Tb4 Sb4 O24",
"formula_reduced": "BaSrTbSbO6",
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"energy": -291.32855154,
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"updated_at": "2021-11-28T01:36:15.271000Z",
"spacegroup": 16
},
{
"id": "mp-1520471",
"created_at": "2022-09-04T14:43:40.026476Z",
"structure_string": "Ba1 Sr1 Tb1 Sb1 O6\n1.0\n0.000000 -4.239647 -4.239647\n4.239647 -0.000000 -4.239647\n4.239647 -4.239647 0.000000\nBa Sr Tb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Sb\n0.763424 0.236576 0.236576 O\n0.236576 0.763424 0.763424 O\n0.763424 0.236576 0.763424 O\n0.236576 0.763424 0.236576 O\n0.763424 0.763424 0.236576 O\n0.236576 0.236576 0.763424 O\n",
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"elements": [
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"chemical_system": "Ba-O-Sb-Sr-Tb",
"density": 6.554787086121979,
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"volume": 152.41197461316494,
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"formula_full": "Ba1 Sr1 Tb1 Sb1 O6",
"formula_reduced": "BaSrTbSbO6",
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"energy": -72.69288659,
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"updated_at": "2021-11-28T01:36:19.350000Z",
"spacegroup": 216
},
{
"id": "mp-555078",
"created_at": "2022-09-04T14:44:55.017450Z",
"structure_string": "Ba6 Sr2 Sb4 O18\n1.0\n6.172911 0.000000 0.000000\n-3.035738 5.383340 0.000000\n-0.506795 -0.637048 15.353123\nBa Sr Sb O\n6 2 4 18\ndirect\n0.319002 0.647405 0.406792 Ba\n0.680998 0.352595 0.593208 Ba\n0.655962 0.330841 0.902794 Ba\n0.979582 0.002027 0.250447 Ba\n0.020418 0.997973 0.749553 Ba\n0.344038 0.669159 0.097206 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.300865 0.639579 0.843928 Sb\n0.636788 0.305158 0.343246 Sb\n0.363212 0.694842 0.656754 Sb\n0.699135 0.360421 0.156072 Sb\n0.223922 0.419719 0.568682 O\n0.894054 0.226288 0.102403 O\n0.259506 0.907186 0.595801 O\n0.776078 0.580281 0.431318 O\n0.569410 0.755242 0.934476 O\n0.464175 0.508194 0.752977 O\n0.901147 0.693387 0.111327 O\n0.430590 0.244758 0.065524 O\n0.098853 0.306613 0.888673 O\n0.699137 0.853059 0.612947 O\n0.105946 0.773712 0.897597 O\n0.050923 0.536064 0.729184 O\n0.535825 0.491806 0.247023 O\n0.949077 0.463936 0.270816 O\n0.740494 0.092814 0.404199 O\n0.300863 0.146941 0.387053 O\n0.516487 0.053231 0.231724 O\n0.483513 0.946769 0.768276 O\n",
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],
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"formula_full": "Ba6 Sr2 Sb4 O18",
"formula_reduced": "Ba3SrSb2O9",
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{
"id": "mp-1523133",
"created_at": "2022-09-04T14:43:47.934863Z",
"structure_string": "Ba4 Y4 Sn4 Sb4 O24\n1.0\n8.468153 0.000000 0.000000\n0.000000 8.407559 0.000000\n0.000000 0.000000 8.461464\nBa Y Sn Sb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.250000 Y\n0.750000 0.250000 0.750000 Y\n0.250000 0.750000 0.750000 Y\n0.500000 -0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.985171 0.222634 0.289576 O\n0.014829 0.777366 0.289576 O\n0.014829 0.222634 0.710424 O\n0.985171 0.777366 0.710424 O\n0.268437 0.986113 0.221181 O\n0.268437 0.013887 0.778819 O\n0.731563 0.013887 0.221181 O\n0.731563 0.986113 0.778819 O\n0.208354 0.276364 0.985064 O\n0.791646 0.276364 0.014936 O\n0.208354 0.723636 0.014936 O\n0.791646 0.723636 0.985064 O\n0.514829 0.277366 0.210424 O\n0.485171 0.722634 0.210424 O\n0.485171 0.277366 0.789576 O\n0.514829 0.722634 0.789576 O\n0.231563 0.513887 0.278819 O\n0.231563 0.486113 0.721181 O\n0.768437 0.486113 0.278819 O\n0.768437 0.513887 0.721181 O\n0.291646 0.223636 0.514936 O\n0.708354 0.223636 0.485064 O\n0.291646 0.776364 0.485064 O\n0.708354 0.776364 0.514936 O\n",
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"formula_full": "Ba4 Y4 Sn4 Sb4 O24",
"formula_reduced": "BaYSnSbO6",
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{
"id": "mp-1523351",
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"structure_string": "Ba2 Y2 Sn2 Sb2 O12\n1.0\n5.921632 0.000000 0.000000\n0.000000 5.921632 0.000000\n-0.000000 0.000000 8.519607\nBa Y Sn Sb O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Ba\n0.500000 -0.000000 0.750000 Ba\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.500000 -0.000000 0.250000 Sn\n-0.000000 0.500000 0.750000 Sn\n0.000000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.237051 O\n0.500000 0.500000 0.262949 O\n-0.000000 -0.000000 0.762949 O\n0.500000 0.500000 0.737051 O\n0.282849 0.188110 0.011935 O\n0.717151 0.811890 0.011935 O\n0.811890 0.282849 0.988065 O\n0.188110 0.717151 0.988065 O\n0.782849 0.311890 0.511935 O\n0.217151 0.688110 0.511935 O\n0.311890 0.217151 0.488065 O\n0.688110 0.782849 0.488065 O\n",
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"updated_at": "2021-11-28T01:37:52.154000Z",
"spacegroup": 118
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{
"id": "mp-1523132",
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"structure_string": "Ba1 Y1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.230557 -4.230557\n4.230557 -0.000000 -4.230557\n4.230557 -4.230557 -0.000000\nBa Y Sn Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Sn\n-0.000000 0.000000 -0.000000 Sb\n0.763359 0.236641 0.236641 O\n0.236641 0.763359 0.763359 O\n0.763359 0.236641 0.763359 O\n0.236641 0.763359 0.236641 O\n0.763359 0.763359 0.236641 O\n0.236641 0.236641 0.763359 O\n",
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{
"id": "mp-1522867",
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"structure_string": "Ba4 Sr4 Sm4 Sb4 O24\n1.0\n8.532833 0.000000 0.000000\n0.000000 8.539636 0.000000\n0.000000 0.000000 8.526503\nBa Sr Sm Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.252107 0.250478 0.250669 Sm\n0.747893 0.749522 0.250669 Sm\n0.747893 0.250478 0.749331 Sm\n0.252107 0.749522 0.749331 Sm\n0.746332 0.749292 0.750514 Sb\n0.253668 0.250708 0.750514 Sb\n0.253668 0.749292 0.249486 Sb\n0.746332 0.250708 0.249486 Sb\n0.981952 0.225205 0.271736 O\n0.018048 0.774795 0.271736 O\n0.018048 0.225205 0.728264 O\n0.981952 0.774795 0.728264 O\n0.282407 0.983113 0.220101 O\n0.282407 0.016887 0.779899 O\n0.717593 0.016887 0.220101 O\n0.717593 0.983113 0.779899 O\n0.228715 0.275409 0.984027 O\n0.771285 0.275409 0.015973 O\n0.228715 0.724591 0.015973 O\n0.771285 0.724591 0.984027 O\n0.515549 0.286564 0.220002 O\n0.484451 0.713436 0.220002 O\n0.484451 0.286564 0.779998 O\n0.515549 0.713436 0.779998 O\n0.221892 0.516860 0.285932 O\n0.221892 0.483140 0.714068 O\n0.778108 0.483140 0.285932 O\n0.778108 0.516860 0.714068 O\n0.284800 0.217739 0.517596 O\n0.715200 0.217739 0.482404 O\n0.284800 0.782261 0.482404 O\n0.715200 0.782261 0.517596 O\n",
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