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{
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"structure_string": "Ba2 Si12\n1.0\n2.252109 -5.238193 0.000000\n2.252109 5.238193 0.000000\n0.000000 0.000000 12.007895\nBa Si\n2 12\ndirect\n0.279531 0.720469 0.250000 Ba\n0.720469 0.279531 0.750000 Ba\n0.978527 0.021473 0.097769 Si\n0.021473 0.978527 0.902231 Si\n0.754660 0.245340 0.463036 Si\n0.245340 0.754660 0.536964 Si\n0.245340 0.754660 0.963036 Si\n0.754660 0.245340 0.036964 Si\n0.437581 0.562419 0.646985 Si\n0.562419 0.437581 0.353015 Si\n0.562419 0.437581 0.146985 Si\n0.437581 0.562419 0.853015 Si\n0.978527 0.021473 0.402231 Si\n0.021473 0.978527 0.597769 Si\n",
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{
"id": "mp-1185856",
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{
"id": "mp-1206230",
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},
{
"id": "mp-24124",
"created_at": "2022-09-04T14:41:06.450303Z",
"structure_string": "Nd2 H4 Cl2 O4\n1.0\n3.895931 0.000000 0.000000\n0.000000 6.301314 0.000000\n0.000000 2.642161 6.358879\nNd H Cl O\n2 4 2 4\ndirect\n0.250000 0.691114 0.132916 Nd\n0.750000 0.308886 0.867084 Nd\n0.750000 0.307717 0.304739 H\n0.250000 0.692283 0.695261 H\n0.750000 0.883116 0.783531 H\n0.250000 0.116884 0.216469 H\n0.750000 0.750390 0.444035 Cl\n0.250000 0.249610 0.555965 Cl\n0.250000 0.100646 0.081082 O\n0.750000 0.899354 0.918918 O\n0.250000 0.571140 0.836076 O\n0.750000 0.428860 0.163924 O\n",
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{
"id": "mp-542598",
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"structure_string": "Li88 Si20\n1.0\n0.000000 9.290618 9.290618\n9.290618 0.000000 9.290618\n9.290618 9.290618 0.000000\nLi Si\n88 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.826800 0.826800 0.826800 Li\n0.826800 0.519599 0.826800 Li\n0.826800 0.826800 0.519599 Li\n0.519599 0.826800 0.826800 Li\n0.172337 0.827663 0.172337 Li\n0.172337 0.172337 0.827663 Li\n0.827663 0.172337 0.172337 Li\n0.172337 0.827663 0.827663 Li\n0.827663 0.827663 0.172337 Li\n0.827663 0.172337 0.827663 Li\n0.583069 0.916931 0.583069 Li\n0.583069 0.583069 0.916931 Li\n0.916931 0.583069 0.583069 Li\n0.583069 0.916931 0.916931 Li\n0.916931 0.916931 0.583069 Li\n0.916931 0.583069 0.916931 Li\n0.005876 0.319445 0.668803 Li\n0.668803 0.005876 0.319445 Li\n0.319445 0.668803 0.005876 Li\n0.005876 0.005876 0.319445 Li\n0.005876 0.668803 0.005876 Li\n0.319445 0.005876 0.668803 Li\n0.005876 0.005876 0.668803 Li\n0.005876 0.319445 0.005876 Li\n0.668803 0.319445 0.005876 Li\n0.319445 0.005876 0.005876 Li\n0.668803 0.005876 0.005876 Li\n0.005876 0.668803 0.319445 Li\n0.816366 0.506412 0.506412 Li\n0.506412 0.816366 0.506412 Li\n0.506412 0.506412 0.816366 Li\n0.816366 0.170810 0.506412 Li\n0.816366 0.506412 0.170810 Li\n0.506412 0.170810 0.506412 Li\n0.170810 0.816366 0.506412 Li\n0.170810 0.506412 0.816366 Li\n0.506412 0.506412 0.170810 Li\n0.506412 0.816366 0.170810 Li\n0.506412 0.170810 0.816366 Li\n0.170810 0.506412 0.506412 Li\n0.258503 0.922629 0.258503 Li\n0.258503 0.258503 0.922629 Li\n0.922629 0.258503 0.258503 Li\n0.258503 0.560364 0.922629 Li\n0.258503 0.258503 0.560364 Li\n0.922629 0.560364 0.258503 Li\n0.560364 0.258503 0.258503 Li\n0.560364 0.922629 0.258503 Li\n0.258503 0.922629 0.560364 Li\n0.922629 0.258503 0.560364 Li\n0.258503 0.560364 0.258503 Li\n0.560364 0.258503 0.922629 Li\n0.749894 0.421433 0.749894 Li\n0.749894 0.749894 0.421433 Li\n0.421433 0.749894 0.749894 Li\n0.749894 0.078779 0.421433 Li\n0.749894 0.749894 0.078779 Li\n0.421433 0.078779 0.749894 Li\n0.078779 0.749894 0.749894 Li\n0.078779 0.421433 0.749894 Li\n0.749894 0.421433 0.078779 Li\n0.421433 0.749894 0.078779 Li\n0.749894 0.078779 0.749894 Li\n0.078779 0.749894 0.421433 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.071485 0.071485 0.071485 Li\n0.071485 0.785544 0.071485 Li\n0.071485 0.071485 0.785544 Li\n0.785544 0.071485 0.071485 Li\n0.167930 0.167930 0.167930 Li\n0.167930 0.496211 0.167930 Li\n0.167930 0.167930 0.496211 Li\n0.496211 0.167930 0.167930 Li\n0.324941 0.324942 0.324941 Li\n0.324941 0.025176 0.324941 Li\n0.324941 0.324942 0.025176 Li\n0.025176 0.324942 0.324941 Li\n0.423264 0.423264 0.423264 Li\n0.423264 0.730207 0.423264 Li\n0.423264 0.423264 0.730207 Li\n0.730207 0.423264 0.423264 Li\n0.582820 0.582820 0.582820 Li\n0.582820 0.251540 0.582820 Li\n0.582820 0.582820 0.251540 Li\n0.251540 0.582820 0.582820 Li\n0.911545 0.911545 0.911545 Si\n0.911545 0.265366 0.911545 Si\n0.911545 0.911545 0.265366 Si\n0.265366 0.911545 0.911545 Si\n0.666669 0.666669 0.666669 Si\n0.666669 0.999994 0.666669 Si\n0.666669 0.666669 0.999994 Si\n0.999994 0.666669 0.666669 Si\n0.324177 0.675823 0.324177 Si\n0.324177 0.324177 0.675823 Si\n0.675823 0.324177 0.324177 Si\n0.324177 0.675823 0.675823 Si\n0.675823 0.675823 0.324177 Si\n0.675823 0.324177 0.675823 Si\n0.074092 0.425908 0.074092 Si\n0.074092 0.074092 0.425908 Si\n0.425908 0.074092 0.074092 Si\n0.074092 0.425908 0.425908 Si\n0.425908 0.425908 0.074092 Si\n0.425908 0.074092 0.425908 Si\n",
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"elements": [
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"volume": 1603.850214891716,
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"formula_full": "Li88 Si20",
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{
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"created_at": "2022-09-04T14:41:00.851991Z",
"structure_string": "As2 Rh2 O8\n1.0\n-3.226453 3.226453 3.027711\n3.226453 -3.226453 3.027711\n3.226453 3.226453 -3.027711\nAs Rh O\n2 2 8\ndirect\n0.754347 0.254347 0.500000 As\n0.504347 0.504347 0.000000 As\n0.244256 0.744256 0.500000 Rh\n0.994256 0.994256 0.000000 Rh\n0.457024 0.265532 0.191492 O\n0.923967 0.735167 0.188800 O\n0.515532 0.824040 0.308508 O\n0.985167 0.296366 0.311200 O\n0.985167 0.673967 0.688800 O\n0.515532 0.207024 0.691492 O\n0.546366 0.735167 0.811200 O\n0.074040 0.265532 0.808508 O\n",
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{
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"structure_string": "Ba1 Sr1 Ce2 O6\n1.0\n0.000000 0.000000 4.481404\n4.410269 -4.354315 0.000000\n4.410269 4.354315 0.000000\nBa Sr Ce O\n1 1 2 6\ndirect\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 -0.000000 0.500000 Ce\n-0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n-0.000000 0.316257 0.683743 O\n0.000000 0.683743 0.316257 O\n-0.000000 0.811099 0.811099 O\n-0.000000 0.188901 0.188901 O\n",
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{
"id": "mp-1210342",
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"structure_string": "Th6 In26 Ni8\n1.0\n9.657443 0.000000 0.000000\n0.000000 9.657443 0.000000\n0.000000 0.000000 9.657443\nTh In Ni\n6 26 8\ndirect\n0.250000 0.000000 0.500000 Th\n0.750000 0.000000 0.500000 Th\n0.500000 0.250000 0.000000 Th\n0.500000 0.750000 0.000000 Th\n0.000000 0.500000 0.250000 Th\n0.000000 0.500000 0.750000 Th\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.155463 0.304505 In\n0.000000 0.844537 0.695495 In\n0.000000 0.844537 0.304505 In\n0.000000 0.155463 0.695495 In\n0.304505 0.000000 0.155463 In\n0.655463 0.500000 0.195495 In\n0.695495 0.000000 0.844537 In\n0.344537 0.500000 0.804505 In\n0.304505 0.000000 0.844537 In\n0.344537 0.500000 0.195495 In\n0.695495 0.000000 0.155463 In\n0.655463 0.500000 0.804505 In\n0.155463 0.304505 0.000000 In\n0.500000 0.804505 0.344537 In\n0.844537 0.695495 0.000000 In\n0.500000 0.195495 0.655463 In\n0.155463 0.695495 0.000000 In\n0.500000 0.195495 0.344537 In\n0.844537 0.304505 0.000000 In\n0.500000 0.804505 0.655463 In\n0.195495 0.655463 0.500000 In\n0.804505 0.344537 0.500000 In\n0.195495 0.344537 0.500000 In\n0.804505 0.655463 0.500000 In\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.750000 0.750000 0.250000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.250000 0.750000 Ni\n0.250000 0.750000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.750000 0.250000 0.250000 Ni\n",
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{
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"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Cs2 Li1 In1 Br6\n1.0\n0.000000 5.546396 5.546396\n5.546396 0.000000 5.546396\n5.546396 5.546396 0.000000\nCs Li In Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.254074 0.745926 0.745926 Br\n0.254074 0.745926 0.254074 Br\n0.745926 0.254074 0.745926 Br\n0.745926 0.745926 0.254074 Br\n0.254074 0.254074 0.745926 Br\n0.745926 0.254074 0.254074 Br\n",
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{
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{
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]
}