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{
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"structure_string": "Zn2 Cd2 Te4\n1.0\n-3.215614 3.215614 6.357241\n3.215614 -3.215614 6.357241\n3.215614 3.215614 -6.357241\nZn Cd Te\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.648413 0.625000 0.523413 Te\n0.101587 0.125000 0.476587 Te\n0.875000 0.351587 0.976587 Te\n0.375000 0.898413 0.023413 Te\n",
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{
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"structure_string": "Li1 Sc2 Rh1\n1.0\n0.000000 3.286846 3.286846\n3.286846 0.000000 3.286846\n3.286846 3.286846 0.000000\nLi Sc Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Cu2 Ge1 S4\n1.0\n-2.654374 2.654374 4.983180\n2.654374 -2.654374 4.983180\n2.654374 2.654374 -4.983180\nCu Ge S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.876177 0.876177 0.507638 S\n0.123823 0.631461 0.000000 S\n0.368539 0.368539 0.492362 S\n0.631461 0.123823 0.000000 S\n",
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{
"id": "mp-1211944",
"created_at": "2022-09-04T14:40:20.966201Z",
"structure_string": "La12 Yb8 Ga12 O48\n1.0\n-6.597765 6.597765 6.597765\n6.597765 -6.597765 6.597765\n6.597765 6.597765 -6.597765\nLa Yb Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 La\n0.750000 0.625000 0.875000 La\n0.750000 0.125000 0.375000 La\n0.125000 0.250000 0.375000 La\n0.375000 0.750000 0.125000 La\n0.250000 0.875000 0.625000 La\n0.875000 0.750000 0.625000 La\n0.625000 0.250000 0.875000 La\n0.375000 0.125000 0.250000 La\n0.625000 0.875000 0.750000 La\n0.125000 0.375000 0.750000 La\n0.875000 0.625000 0.250000 La\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.471401 0.371671 0.279845 O\n0.528599 0.628329 0.720155 O\n0.591826 0.191556 0.220155 O\n0.908174 0.128329 0.599730 O\n0.279845 0.471401 0.371671 O\n0.308444 0.908174 0.279845 O\n0.408174 0.808444 0.779845 O\n0.091826 0.871671 0.400270 O\n0.720155 0.528599 0.628329 O\n0.691556 0.091826 0.720155 O\n0.028599 0.308444 0.900270 O\n0.220155 0.591826 0.191556 O\n0.128329 0.028599 0.220155 O\n0.971401 0.691556 0.099730 O\n0.779845 0.408174 0.808444 O\n0.871671 0.971401 0.779845 O\n0.599730 0.908174 0.128329 O\n0.191556 0.471401 0.599730 O\n0.400270 0.091826 0.871671 O\n0.808444 0.528599 0.400270 O\n0.900270 0.028599 0.308444 O\n0.371671 0.591826 0.900270 O\n0.099730 0.971401 0.691556 O\n0.628329 0.408174 0.099730 O\n0.371671 0.279845 0.471401 O\n0.591826 0.900270 0.371671 O\n0.628329 0.720155 0.528599 O\n0.408174 0.099730 0.628329 O\n0.128329 0.599730 0.908174 O\n0.028599 0.220155 0.128329 O\n0.871671 0.400270 0.091826 O\n0.971401 0.779845 0.871671 O\n0.308444 0.900270 0.028599 O\n0.908174 0.279845 0.308444 O\n0.691556 0.099730 0.971401 O\n0.091826 0.720155 0.691556 O\n0.191556 0.220155 0.591826 O\n0.471401 0.599730 0.191556 O\n0.808444 0.779845 0.408174 O\n0.528599 0.400270 0.808444 O\n0.279845 0.308444 0.908174 O\n0.720155 0.691556 0.091826 O\n0.220155 0.128329 0.028599 O\n0.779845 0.871671 0.971401 O\n0.900270 0.371671 0.591826 O\n0.099730 0.628329 0.408174 O\n0.599730 0.191556 0.471401 O\n0.400270 0.808444 0.528599 O\n",
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{
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{
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{
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{
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"structure_string": "Na4 P2 H22 O16\n1.0\n6.438716 0.000000 0.000000\n0.000000 7.173386 0.000000\n0.000000 0.000000 9.310498\nNa P H O\n4 2 22 16\ndirect\n0.502396 0.500000 0.847354 Na\n0.497604 0.000000 0.347354 Na\n0.460794 0.500000 0.271549 Na\n0.539206 0.000000 0.771549 Na\n0.853134 0.500000 0.501995 P\n0.146866 0.000000 0.001995 P\n0.898285 0.500000 0.352508 H\n0.101715 0.000000 0.852508 H\n0.217898 0.713655 0.640517 H\n0.217898 0.286345 0.640517 H\n0.782102 0.786345 0.140517 H\n0.782102 0.213655 0.140517 H\n0.451470 0.665864 0.605490 H\n0.451470 0.334136 0.605490 H\n0.548530 0.834136 0.105490 H\n0.548530 0.165864 0.105490 H\n0.813680 0.888504 0.543532 H\n0.813680 0.111496 0.543532 H\n0.186320 0.611496 0.043532 H\n0.186320 0.388504 0.043532 H\n0.851789 0.708606 0.748203 H\n0.851789 0.291394 0.748203 H\n0.148211 0.791394 0.248203 H\n0.148211 0.208606 0.248203 H\n0.866125 0.747151 0.915294 H\n0.866125 0.252849 0.915294 H\n0.133875 0.752849 0.415294 H\n0.133875 0.247151 0.415294 H\n0.615540 0.500000 0.515565 O\n0.384460 0.000000 0.015565 O\n0.955244 0.679496 0.562980 O\n0.955244 0.320504 0.562980 O\n0.044756 0.820504 0.062980 O\n0.044756 0.179496 0.062980 O\n0.361389 0.731970 0.675231 O\n0.361389 0.268030 0.675231 O\n0.638611 0.768030 0.175231 O\n0.638611 0.231970 0.175231 O\n0.722403 0.000000 0.540259 O\n0.277597 0.500000 0.040259 O\n0.767261 0.730341 0.835338 O\n0.767261 0.269659 0.835338 O\n0.232739 0.769659 0.335338 O\n0.232739 0.230341 0.335338 O\n",
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},
{
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"created_at": "2022-09-04T14:40:21.042341Z",
"structure_string": "Zn2 Sn4 O10\n1.0\n1.996786 -5.247205 0.000000\n1.996786 5.247205 0.000000\n0.000000 0.000000 10.441338\nZn Sn O\n2 4 10\ndirect\n0.181965 0.818035 0.750000 Zn\n0.818035 0.181965 0.250000 Zn\n0.863602 0.136398 0.566791 Sn\n0.136398 0.863602 0.433209 Sn\n0.136398 0.863602 0.066791 Sn\n0.863602 0.136398 0.933209 Sn\n0.223787 0.776213 0.250000 O\n0.776213 0.223787 0.750000 O\n0.693730 0.306270 0.060514 O\n0.306270 0.693730 0.939486 O\n0.306270 0.693730 0.560514 O\n0.693730 0.306270 0.439486 O\n0.051430 0.948570 0.612910 O\n0.948570 0.051430 0.387090 O\n0.051430 0.948570 0.887090 O\n0.948570 0.051430 0.112910 O\n",
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"chemical_system": "O-Sn-Zn",
"density": 5.810785091889065,
"density_atomic": 0.07312641411306117,
"volume": 218.79918759946725,
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"formula_full": "Zn2 Sn4 O10",
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"updated_at": "2021-11-28T01:34:55.241000Z",
"spacegroup": 63
},
{
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"structure_string": "Ba4 Na1 Cu1 C2 O10\n1.0\n-2.955060 2.955060 7.834022\n2.955060 -2.955060 7.834022\n2.955060 2.955060 -7.834022\nBa Na Cu C O\n4 1 1 2 10\ndirect\n0.116944 0.616944 0.500000 Ba\n0.383056 0.883056 0.500000 Ba\n0.883056 0.383056 0.500000 Ba\n0.616944 0.116944 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Cu\n0.233525 0.233525 0.000000 C\n0.766475 0.766475 0.000000 C\n0.590592 0.590592 0.727921 O\n0.137330 0.409408 0.000000 O\n0.850370 0.850370 0.000000 O\n0.149630 0.149630 0.000000 O\n0.409408 0.137330 0.000000 O\n0.862670 0.862670 0.272079 O\n0.720553 0.720553 0.446680 O\n0.279447 0.726126 0.000000 O\n0.726126 0.279447 0.000000 O\n0.273874 0.273874 0.553320 O\n",
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"updated_at": "2021-11-28T01:34:56.592000Z",
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}
]
}