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{
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"structure_string": "Zn4 Ge4 O12\n1.0\n5.102720 0.000000 0.000000\n0.000000 7.358535 0.000000\n0.000000 0.000000 5.026770\nGe O Zn\n4 12 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.058871 0.250000 0.115771 O\n0.308718 0.561792 0.185289 O\n0.308718 0.938208 0.185289 O\n0.808718 0.561792 0.314711 O\n0.808718 0.938208 0.314711 O\n0.558871 0.250000 0.384229 O\n0.441129 0.750000 0.615771 O\n0.191282 0.061792 0.685289 O\n0.191282 0.438208 0.685289 O\n0.691282 0.061792 0.814711 O\n0.691282 0.438208 0.814711 O\n0.941129 0.750000 0.884229 O\n0.540861 0.750000 0.005670 Zn\n0.040861 0.750000 0.494330 Zn\n0.959139 0.250000 0.505670 Zn\n0.459139 0.250000 0.994330 Zn\n",
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{
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"created_at": "2022-09-04T16:03:14.317491Z",
"updated_at": "2022-09-04T16:03:14.317524Z",
"structure_string": "Sr4 Er2 Ta2 O12\n1.0\n5.784344 0.000000 0.000000\n0.000000 5.831846 0.000000\n-5.755309 0.000000 8.204617\nEr O Sr Ta\n2 12 4 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.266171 0.300489 0.041430 O\n0.346437 0.776509 0.042953 O\n0.816518 0.479691 0.236794 O\n0.183482 0.979691 0.263206 O\n0.653563 0.276509 0.457047 O\n0.733829 0.800489 0.458570 O\n0.266171 0.199511 0.541430 O\n0.346437 0.723491 0.542953 O\n0.816518 0.020309 0.736794 O\n0.183482 0.520309 0.763206 O\n0.653563 0.223491 0.957047 O\n0.733829 0.699511 0.958570 O\n0.257104 0.532022 0.249999 Sr\n0.742896 0.032022 0.250001 Sr\n0.257104 0.967978 0.749999 Sr\n0.742896 0.467978 0.750001 Sr\n0.500000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n",
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{
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"created_at": "2022-09-04T16:03:14.317369Z",
"updated_at": "2022-09-04T16:03:14.317401Z",
"structure_string": "Na2 Sm4 Nb2 O12\n1.0\n5.503069 0.000000 0.000000\n0.000000 5.906863 0.000000\n-5.263427 0.000000 7.962113\nNa Nb O Sm\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.353290 0.174438 0.055967 O\n0.245578 0.715584 0.079703 O\n0.095934 0.062937 0.232085 O\n0.904066 0.562937 0.267915 O\n0.754422 0.215584 0.420297 O\n0.646710 0.674438 0.444033 O\n0.353290 0.325562 0.555967 O\n0.245578 0.784416 0.579703 O\n0.095934 0.437063 0.732085 O\n0.904066 0.937063 0.767915 O\n0.754422 0.284416 0.920297 O\n0.646710 0.825562 0.944033 O\n0.719910 0.930183 0.243534 Sm\n0.280090 0.430183 0.256466 Sm\n0.719910 0.569817 0.743534 Sm\n0.280090 0.069817 0.756466 Sm\n",
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"created_at": "2022-09-04T16:03:14.316686Z",
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"structure_string": "Lu4 Sc4 O12\n1.0\n5.639018 0.000000 0.000000\n0.000000 7.811396 0.000000\n0.000000 0.000000 5.315829\nLu O Sc\n4 12 4\ndirect\n0.434769 0.250000 0.020265 Lu\n0.934769 0.250000 0.479735 Lu\n0.065231 0.750000 0.520265 Lu\n0.565231 0.750000 0.979735 Lu\n0.934411 0.750000 0.140369 O\n0.688907 0.072417 0.184758 O\n0.688907 0.427583 0.184758 O\n0.188907 0.072417 0.315242 O\n0.188907 0.427583 0.315242 O\n0.434411 0.750000 0.359631 O\n0.565589 0.250000 0.640369 O\n0.811093 0.572417 0.684758 O\n0.811093 0.927583 0.684758 O\n0.311093 0.572417 0.815242 O\n0.311093 0.927583 0.815242 O\n0.065589 0.250000 0.859631 O\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.500000 Sc\n",
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"structure_string": "Na2 Nd2 Hg2 W2 O12\n1.0\n5.618982 0.000000 0.000000\n0.000000 5.815674 0.000000\n-0.052880 0.000000 8.129794\nHg Na Nd O W\n2 2 2 12 2\ndirect\n0.752443 0.246217 0.267251 Hg\n0.247557 0.746217 0.732749 Hg\n0.744272 0.794997 0.498482 Na\n0.255728 0.294997 0.501518 Na\n0.730425 0.694167 0.000789 Nd\n0.269575 0.194167 0.999211 Nd\n0.130736 0.804627 0.012337 O\n0.417298 0.496358 0.172321 O\n0.521270 0.940302 0.178599 O\n0.940892 0.615315 0.278646 O\n0.117142 0.058503 0.295343 O\n0.350056 0.698837 0.466308 O\n0.649944 0.198837 0.533692 O\n0.882858 0.558503 0.704657 O\n0.059108 0.115315 0.721354 O\n0.478730 0.440302 0.821401 O\n0.582702 0.996358 0.827679 O\n0.869264 0.304627 0.987663 O\n0.237355 0.758077 0.256433 W\n0.762645 0.258077 0.743567 W\n",
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"structure_string": "Sr4 Eu2 Bi2 O12\n1.0\n5.954116 0.000000 0.000000\n0.000000 6.137430 0.000000\n-5.937125 0.000000 8.473825\nBi Eu O Sr\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Eu\n0.000000 0.500000 0.500000 Eu\n0.839501 0.311504 0.053151 O\n0.744435 0.783438 0.061539 O\n0.624664 0.452669 0.235325 O\n0.375336 0.952669 0.264675 O\n0.255565 0.283438 0.438461 O\n0.160499 0.811504 0.446849 O\n0.839501 0.188496 0.553151 O\n0.744435 0.716562 0.561539 O\n0.624664 0.047331 0.735325 O\n0.375336 0.547331 0.764675 O\n0.255565 0.216562 0.938461 O\n0.160499 0.688496 0.946849 O\n0.233006 0.553144 0.248470 Sr\n0.766994 0.053144 0.251530 Sr\n0.233006 0.946856 0.748470 Sr\n0.766994 0.446856 0.751530 Sr\n",
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"structure_string": "K2 Rb4 Tm2 F12\n1.0\n6.267637 0.000000 0.000000\n0.000000 6.414288 0.000000\n-6.201862 0.000000 8.937518\nF K Rb Tm\n12 2 4 2\ndirect\n0.320985 0.820733 0.043035 F\n0.221592 0.276844 0.048169 F\n0.138856 0.971263 0.228430 F\n0.861144 0.471263 0.271570 F\n0.778408 0.776844 0.451831 F\n0.679015 0.320733 0.456965 F\n0.320985 0.679267 0.543035 F\n0.221592 0.223156 0.548169 F\n0.138856 0.528737 0.728430 F\n0.861144 0.028737 0.771570 F\n0.778408 0.723156 0.951831 F\n0.679015 0.179267 0.956965 F\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.738149 0.049617 0.249637 Rb\n0.261851 0.549617 0.250363 Rb\n0.738149 0.450383 0.749637 Rb\n0.261851 0.950383 0.750363 Rb\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n",
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"formula_full": "Sm2 Eu4 Nb2 O12",
"formula_reduced": "SmEu2NbO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.4505868627772527,
"spacegroup": 14
}
]
}