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{
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{
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{
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{
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"structure_string": "Ba2 W12 O36\n1.0\n3.880579 10.221593 0.000000\n-3.880579 10.221593 0.000000\n0.000000 0.002169 8.988040\nBa W O\n2 12 36\ndirect\n0.875782 0.875782 0.085380 Ba\n0.124218 0.124218 0.914620 Ba\n0.468719 0.967655 0.206347 W\n0.284635 0.779137 0.206563 W\n0.967655 0.468719 0.206347 W\n0.779137 0.284635 0.206563 W\n0.126662 0.623197 0.432974 W\n0.623197 0.126662 0.432974 W\n0.873338 0.376803 0.567026 W\n0.376803 0.873338 0.567026 W\n0.220863 0.715365 0.793437 W\n0.531281 0.032345 0.793653 W\n0.032345 0.531281 0.793653 W\n0.715365 0.220863 0.793437 W\n0.374246 0.875687 0.144872 O\n0.875687 0.374246 0.144872 O\n0.216525 0.216525 0.198435 O\n0.719300 0.719300 0.202238 O\n0.531517 0.531517 0.203865 O\n0.032535 0.032535 0.196835 O\n0.187918 0.696165 0.276489 O\n0.696165 0.187918 0.276489 O\n0.560433 0.055570 0.276430 O\n0.055570 0.560433 0.276430 O\n0.311339 0.810401 0.409459 O\n0.874898 0.874898 0.424832 O\n0.375119 0.375119 0.429197 O\n0.438873 0.939340 0.409519 O\n0.939340 0.438873 0.409519 O\n0.810401 0.311339 0.409459 O\n0.624881 0.624881 0.570803 O\n0.125102 0.125102 0.575168 O\n0.688661 0.189599 0.590541 O\n0.561127 0.060660 0.590481 O\n0.189599 0.688661 0.590541 O\n0.060660 0.561127 0.590481 O\n0.439567 0.944430 0.723570 O\n0.303835 0.812082 0.723511 O\n0.944430 0.439567 0.723570 O\n0.812082 0.303835 0.723511 O\n0.280700 0.280700 0.797762 O\n0.967465 0.967465 0.803165 O\n0.468483 0.468483 0.796135 O\n0.783475 0.783475 0.801565 O\n0.124313 0.625754 0.855128 O\n0.625754 0.124313 0.855128 O\n0.500000 0.000000 0.000000 O\n0.753542 0.246458 0.000000 O\n0.000000 0.500000 0.000000 O\n0.246458 0.753542 0.000000 O\n",
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"formula_full": "Ba2 W12 O36",
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{
"id": "mp-1032293",
"created_at": "2022-09-04T14:47:55.877425Z",
"structure_string": "Sr1 Mg6 Co1 O8\n1.0\n8.673820 0.000000 0.000000\n0.000000 4.500254 0.000000\n0.000000 0.000000 4.500254\nSr Mg Co O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.237972 0.000000 0.500000 Mg\n0.762028 0.000000 0.500000 Mg\n0.237972 0.500000 0.000000 Mg\n0.762028 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.227305 0.000000 0.000000 O\n0.772695 0.000000 0.000000 O\n0.248700 0.500000 0.500000 O\n0.751300 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ca4 Zn6 Sn12\n1.0\n3.197427 -13.653551 0.000000\n3.197427 13.653551 0.000000\n0.000000 0.000000 6.393270\nCa Zn Sn\n4 6 12\ndirect\n0.401441 0.598559 0.750000 Ca\n0.598559 0.401441 0.250000 Ca\n0.097087 0.902913 0.750000 Ca\n0.902913 0.097087 0.250000 Ca\n0.719011 0.719011 0.000000 Zn\n0.719011 0.719011 0.500000 Zn\n0.280989 0.280989 0.000000 Zn\n0.280989 0.280989 0.500000 Zn\n0.850566 0.149434 0.750000 Zn\n0.149434 0.850566 0.250000 Zn\n0.465434 0.072154 0.980649 Sn\n0.072154 0.465434 0.019351 Sn\n0.465434 0.072154 0.519351 Sn\n0.072154 0.465434 0.480649 Sn\n0.534566 0.927846 0.019351 Sn\n0.927846 0.534566 0.980649 Sn\n0.534566 0.927846 0.480649 Sn\n0.927846 0.534566 0.519351 Sn\n0.948057 0.051943 0.750000 Sn\n0.051943 0.948057 0.250000 Sn\n0.569466 0.430534 0.750000 Sn\n0.430534 0.569466 0.250000 Sn\n",
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{
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"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.390673 0.000000 0.000000\n0.000000 9.448495 0.000000\n0.000000 4.365222 8.827152\nLi Co P C O\n12 4 4 4 28\ndirect\n0.250922 0.098255 0.318627 Li\n0.249078 0.098255 0.818627 Li\n0.012988 0.279226 0.491564 Li\n0.487012 0.279226 0.991564 Li\n0.753133 0.346524 0.686840 Li\n0.746867 0.346524 0.186840 Li\n0.246867 0.653476 0.313160 Li\n0.253133 0.653476 0.813160 Li\n0.987012 0.720774 0.508436 Li\n0.512988 0.720774 0.008436 Li\n0.749078 0.901745 0.681373 Li\n0.750922 0.901745 0.181373 Li\n0.493778 0.275766 0.488562 Co\n0.006222 0.275766 0.988562 Co\n0.506222 0.724234 0.511438 Co\n0.993778 0.724234 0.011438 Co\n0.247576 0.408679 0.685717 P\n0.252424 0.408679 0.185717 P\n0.752424 0.591321 0.314283 P\n0.747576 0.591321 0.814283 P\n0.741429 0.038346 0.378361 C\n0.758571 0.038346 0.878361 C\n0.258571 0.961654 0.621639 C\n0.241429 0.961654 0.121639 C\n0.747579 0.068939 0.739232 O\n0.752421 0.068939 0.239232 O\n0.262584 0.110718 0.515055 O\n0.738479 0.148510 0.422985 O\n0.237416 0.110718 0.015055 O\n0.761521 0.148510 0.922985 O\n0.056653 0.314133 0.678362 O\n0.440959 0.309931 0.679271 O\n0.059041 0.309931 0.179271 O\n0.443347 0.314133 0.178362 O\n0.744665 0.420624 0.445635 O\n0.252082 0.420947 0.338934 O\n0.755335 0.420624 0.945635 O\n0.247918 0.420947 0.838934 O\n0.747918 0.579053 0.661066 O\n0.255335 0.579376 0.554365 O\n0.752082 0.579053 0.161066 O\n0.244665 0.579376 0.054365 O\n0.943347 0.685867 0.321638 O\n0.559041 0.690069 0.320729 O\n0.940959 0.690069 0.820729 O\n0.556653 0.685867 0.821638 O\n0.261521 0.851490 0.577015 O\n0.737416 0.889282 0.484945 O\n0.238479 0.851490 0.077015 O\n0.762584 0.889282 0.984945 O\n0.252421 0.931061 0.260768 O\n0.247579 0.931061 0.760768 O\n",
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{
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],
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"formula_full": "Li1 Ho2 Os1",
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{
"id": "mp-1218154",
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"structure_string": "Sr1 La1 Fe1 O4\n1.0\n-1.968579 1.968579 6.302072\n1.968579 -1.968579 6.302072\n1.968579 1.968579 -6.302072\nSr La Fe O\n1 1 1 4\ndirect\n0.642009 0.642009 0.000000 Sr\n0.358317 0.358317 0.000000 La\n0.004177 0.004177 0.000000 Fe\n0.833462 0.833462 0.000000 O\n0.172627 0.172627 0.000000 O\n0.994704 0.494704 0.500000 O\n0.494704 0.994704 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:47:55.904991Z",
"structure_string": "Ca1 Mn6 O5 F7\n1.0\n-4.131893 4.131647 3.038467\n-0.092453 4.888095 -4.195025\n-4.887471 0.092951 -4.194964\nCa Mn O F\n1 6 5 7\ndirect\n0.833234 0.407564 0.925771 Ca\n0.833335 0.894465 0.438878 Mn\n0.715826 0.407678 0.447301 Mn\n0.333345 0.690733 0.642476 Mn\n0.191589 0.280424 0.353019 Mn\n0.475149 0.980236 0.052859 Mn\n0.950903 0.885994 0.925754 Mn\n0.645388 0.641056 0.599625 O\n0.928317 0.201683 0.310456 O\n0.738274 0.022906 0.131664 O\n0.021281 0.733652 0.692344 O\n0.333235 0.974595 0.358564 O\n0.653337 0.064800 0.720149 F\n0.333425 0.388233 0.945159 F\n0.281848 0.878868 0.908626 F\n0.384773 0.424910 0.454225 F\n0.662666 0.640422 0.089677 F\n0.004171 0.243615 0.693082 F\n0.013237 0.613168 0.268702 F\n",
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{
"id": "mp-1026788",
"created_at": "2022-09-04T14:47:55.908061Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.541819 0.000000 0.000000\n-3.270910 5.665381 0.000000\n-0.000000 0.000000 10.375262\nLa Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.181246 0.840622 0.125000 Mg\n0.161015 0.830507 0.625000 Mg\n0.659378 0.318754 0.125000 Mg\n0.669493 0.338985 0.625000 Mg\n0.659378 0.840622 0.125000 Mg\n0.669493 0.830507 0.625000 Mg\n0.333946 0.166054 0.386081 Mg\n0.333946 0.166054 0.863919 Mg\n0.333946 0.667893 0.386081 Mg\n0.333946 0.667893 0.863919 Mg\n0.832107 0.166054 0.386081 Mg\n0.832107 0.166054 0.863919 Mg\n0.833333 0.666667 0.364617 Mg\n0.833333 0.666667 0.885383 Mg\n0.166667 0.333333 0.625000 Ga\n",
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"density": 2.370360490484892,
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"formula_full": "La1 Mg14 Ga1",
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}