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{
"id": "mp-6121",
"created_at": "2022-09-04T14:43:06.612346Z",
"structure_string": "Ba4 Y8 Zn4 O20\n1.0\n5.771599 0.000000 0.000000\n0.000000 7.171362 0.000000\n0.000000 0.000000 12.463464\nBa Y Zn O\n4 8 4 20\ndirect\n0.250000 0.577129 0.398509 Ba\n0.750000 0.422871 0.601491 Ba\n0.750000 0.077129 0.101491 Ba\n0.250000 0.922871 0.898509 Ba\n0.250000 0.100835 0.574450 Y\n0.750000 0.899165 0.425550 Y\n0.750000 0.600835 0.925550 Y\n0.250000 0.399165 0.074450 Y\n0.250000 0.381782 0.791934 Y\n0.750000 0.618218 0.208066 Y\n0.750000 0.881782 0.708066 Y\n0.250000 0.118218 0.291934 Y\n0.250000 0.808357 0.149732 Zn\n0.750000 0.191643 0.850268 Zn\n0.750000 0.308357 0.350268 Zn\n0.250000 0.691643 0.649732 Zn\n0.250000 0.425680 0.600138 O\n0.750000 0.574320 0.399862 O\n0.750000 0.925680 0.899862 O\n0.250000 0.074320 0.100138 O\n0.000728 0.857427 0.275206 O\n0.500728 0.142573 0.724794 O\n0.999272 0.357427 0.224794 O\n0.499272 0.642573 0.775206 O\n0.999272 0.142573 0.724794 O\n0.499272 0.857427 0.275206 O\n0.000728 0.642573 0.775206 O\n0.500728 0.357427 0.224794 O\n0.497893 0.663367 0.066125 O\n0.997893 0.336633 0.933875 O\n0.502107 0.163367 0.433875 O\n0.002107 0.836633 0.566125 O\n0.997893 0.163367 0.433875 O\n0.497893 0.836633 0.566125 O\n0.002107 0.663367 0.066125 O\n0.502107 0.336633 0.933875 O\n",
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{
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"formula_full": "Ba2 Y2 Zn8 O13",
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{
"id": "mp-18204",
"created_at": "2022-09-04T14:44:04.087230Z",
"structure_string": "Ba5 Yb8 Zn4 O21\n1.0\n-6.922588 6.922588 2.838022\n6.922588 -6.922588 2.838022\n6.922588 6.922588 -2.838022\nBa Yb Zn O\n5 8 4 21\ndirect\n0.466918 0.855895 0.322813 Ba\n0.144105 0.466918 0.611023 Ba\n0.855895 0.533082 0.388977 Ba\n0.533082 0.144105 0.677187 Ba\n0.000000 0.000000 0.000000 Ba\n0.591500 0.639922 0.231422 Yb\n0.360078 0.591500 0.951578 Yb\n0.639922 0.408500 0.048422 Yb\n0.408500 0.360078 0.768578 Yb\n0.750216 0.833068 0.583284 Yb\n0.166932 0.750216 0.917148 Yb\n0.833068 0.249784 0.082852 Yb\n0.249784 0.166932 0.416716 Yb\n0.957770 0.754296 0.712066 Zn\n0.245704 0.957770 0.203474 Zn\n0.754296 0.042230 0.796526 Zn\n0.042230 0.245704 0.287934 Zn\n0.094665 0.977209 0.592800 O\n0.501865 0.094665 0.117456 O\n0.977209 0.384409 0.882544 O\n0.384409 0.501865 0.407200 O\n0.905335 0.022791 0.407200 O\n0.498135 0.905335 0.882544 O\n0.022791 0.615591 0.117456 O\n0.615591 0.498135 0.592800 O\n0.937318 0.799340 0.221487 O\n0.715831 0.937318 0.137978 O\n0.799340 0.577853 0.862022 O\n0.577853 0.715831 0.778513 O\n0.062682 0.200660 0.778513 O\n0.284169 0.062682 0.862022 O\n0.200660 0.422147 0.137978 O\n0.422147 0.284169 0.221487 O\n0.372605 0.031138 0.403743 O\n0.500000 0.500000 0.000000 O\n0.627395 0.968862 0.596257 O\n0.031138 0.627395 0.658533 O\n0.968862 0.372605 0.341467 O\n",
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"formula_full": "Ba5 Yb8 Zn4 O21",
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"energy": -232.86045907,
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"updated_at": "2021-11-28T01:36:19.940000Z",
"spacegroup": 87
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{
"id": "mp-754383",
"created_at": "2022-09-04T14:46:13.371676Z",
"structure_string": "Ba2 Yb4 O8\n1.0\n-3.501917 3.501917 5.169347\n3.501917 -3.501917 5.169347\n3.501917 3.501917 -5.169347\nBa Yb O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.875000 0.625000 0.250000 Yb\n0.375000 0.125000 0.750000 Yb\n0.375000 0.625000 0.250000 Yb\n0.375000 0.625000 0.750000 Yb\n0.150514 0.433581 0.283067 O\n0.183581 0.400514 0.783067 O\n0.617447 0.400514 0.216933 O\n0.599486 0.382553 0.783067 O\n0.150514 0.867447 0.716933 O\n0.132553 0.849486 0.283067 O\n0.566419 0.849486 0.716933 O\n0.599486 0.816419 0.216933 O\n",
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"formula_full": "Ba2 Yb4 O8",
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{
"id": "mp-754422",
"created_at": "2022-09-04T14:41:27.395751Z",
"structure_string": "Ba4 Yb8 O16\n1.0\n3.544479 0.000000 0.000000\n0.000000 10.374066 0.000000\n0.000000 0.000000 12.115223\nBa Yb O\n4 8 16\ndirect\n0.250000 0.748447 0.654103 Ba\n0.750000 0.751553 0.154103 Ba\n0.250000 0.248447 0.845897 Ba\n0.750000 0.251553 0.345897 Ba\n0.250000 0.577964 0.391202 Yb\n0.250000 0.578964 0.892372 Yb\n0.750000 0.921036 0.392372 Yb\n0.750000 0.922036 0.891202 Yb\n0.250000 0.077964 0.108798 Yb\n0.250000 0.078964 0.607628 Yb\n0.750000 0.421036 0.107628 Yb\n0.750000 0.422036 0.608798 Yb\n0.750000 0.516206 0.277968 O\n0.250000 0.569923 0.080360 O\n0.750000 0.618469 0.517564 O\n0.750000 0.713332 0.833314 O\n0.250000 0.786668 0.333314 O\n0.250000 0.881531 0.017564 O\n0.750000 0.930077 0.580360 O\n0.250000 0.983794 0.777968 O\n0.750000 0.016206 0.222032 O\n0.250000 0.069923 0.419640 O\n0.750000 0.118469 0.982436 O\n0.750000 0.213332 0.666686 O\n0.250000 0.286668 0.166686 O\n0.250000 0.381531 0.482436 O\n0.750000 0.430077 0.919640 O\n0.250000 0.483794 0.722032 O\n",
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{
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{
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{
"id": "mp-15751",
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"structure_string": "Ba3 Y4 O9\n1.0\n8.750568 -3.080364 0.000000\n8.750568 3.080364 0.000000\n7.666222 0.000000 5.223995\nBa Y O\n3 4 9\ndirect\n0.416454 0.416454 0.416454 Ba\n0.835212 0.835212 0.835212 Ba\n0.001720 0.001720 0.001720 Ba\n0.700381 0.700381 0.700381 Y\n0.262277 0.262277 0.262277 Y\n0.136864 0.136864 0.136864 Y\n0.574730 0.574730 0.574730 Y\n0.419594 0.961635 0.544057 O\n0.961635 0.544057 0.419594 O\n0.544057 0.419594 0.961635 O\n0.290448 0.877591 0.420365 O\n0.877591 0.420365 0.290448 O\n0.420365 0.290448 0.877591 O\n0.418099 0.854078 0.983496 O\n0.983496 0.418099 0.854078 O\n0.854078 0.983496 0.418099 O\n",
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{
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