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{
"id": "mp-1400837",
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{
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{
"id": "mp-1247741",
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"structure_string": "Ba12 Na12\n1.0\n-8.918369 -8.918369 0.000000\n-8.918369 0.000000 -8.918369\n-0.000000 -8.918369 -8.918369\nBa Na\n12 12\ndirect\n0.592377 0.222870 0.592377 Ba\n0.527130 0.157623 0.157623 Ba\n0.592377 0.592377 0.592377 Ba\n0.157623 0.157623 0.527130 Ba\n0.222870 0.592377 0.592377 Ba\n0.157623 0.527130 0.157623 Ba\n0.592377 0.592377 0.222870 Ba\n0.157623 0.157623 0.157623 Ba\n0.375000 0.375000 0.375000 Ba\n0.375000 0.375000 0.875000 Ba\n0.375000 0.875000 0.375000 Ba\n0.875000 0.375000 0.375000 Ba\n0.211713 0.788287 0.788287 Na\n0.961713 0.961713 0.538287 Na\n0.788287 0.211713 0.211713 Na\n0.538287 0.538287 0.961713 Na\n0.788287 0.211713 0.788287 Na\n0.538287 0.961713 0.961713 Na\n0.211713 0.788287 0.211713 Na\n0.961713 0.538287 0.538287 Na\n0.788287 0.788287 0.211713 Na\n0.961713 0.538287 0.961713 Na\n0.211713 0.211713 0.788287 Na\n0.538287 0.961713 0.538287 Na\n",
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{
"id": "mp-1194349",
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"structure_string": "Nb12 Ni12 C4\n1.0\n0.000000 5.699531 5.699531\n5.699531 0.000000 5.699531\n5.699531 5.699531 0.000000\nNb Ni C\n12 12 4\ndirect\n0.804424 0.804424 0.195576 Nb\n0.195576 0.195576 0.804424 Nb\n0.804424 0.195576 0.804424 Nb\n0.195576 0.804424 0.195576 Nb\n0.195576 0.804424 0.804424 Nb\n0.804424 0.195576 0.195576 Nb\n0.445576 0.445576 0.054424 Nb\n0.054424 0.054424 0.445576 Nb\n0.445576 0.054424 0.445576 Nb\n0.054424 0.445576 0.054424 Nb\n0.054424 0.445576 0.445576 Nb\n0.445576 0.054424 0.054424 Nb\n0.125000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n0.740640 0.419787 0.419787 Ni\n0.419787 0.740640 0.419787 Ni\n0.419787 0.419787 0.740640 Ni\n0.419787 0.419787 0.419787 Ni\n0.509360 0.830213 0.830213 Ni\n0.830213 0.509360 0.830213 Ni\n0.830213 0.830213 0.509360 Ni\n0.830213 0.830213 0.830213 Ni\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.125000 0.125000 0.125000 C\n",
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"formula_full": "Nb12 Ni12 C4",
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"energy": -235.70508466,
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{
"id": "mp-1080360",
"created_at": "2022-09-04T14:42:40.966316Z",
"structure_string": "Ce8 Se16\n1.0\n0.000000 12.806962 12.806962\n12.806962 0.000000 12.806962\n12.806962 12.806962 0.000000\nCe Se\n8 16\ndirect\n0.563576 0.309271 0.563576 Ce\n0.563576 0.563576 0.563576 Ce\n0.309271 0.563576 0.563576 Ce\n0.563576 0.563576 0.309271 Ce\n0.686424 0.940729 0.686424 Ce\n0.686424 0.686424 0.686424 Ce\n0.940729 0.686424 0.686424 Ce\n0.686424 0.686424 0.940729 Ce\n0.379474 0.620526 0.620526 Se\n0.379474 0.379474 0.620526 Se\n0.620526 0.379474 0.620526 Se\n0.620526 0.620526 0.379474 Se\n0.379474 0.620526 0.379474 Se\n0.620526 0.379474 0.379474 Se\n0.870526 0.629474 0.629474 Se\n0.870526 0.870526 0.629474 Se\n0.629474 0.870526 0.629474 Se\n0.629474 0.629474 0.870526 Se\n0.870526 0.629474 0.870526 Se\n0.629474 0.870526 0.870526 Se\n0.625000 0.125000 0.625000 Se\n0.625000 0.625000 0.625000 Se\n0.125000 0.625000 0.625000 Se\n0.625000 0.625000 0.125000 Se\n",
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{
"id": "mp-755041",
"created_at": "2022-09-04T14:42:41.259687Z",
"structure_string": "Tm4 Mn4 O14\n1.0\n0.000000 4.969216 4.969216\n4.969216 0.000000 4.969216\n4.969216 4.969216 0.000000\nTm Mn O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Tm\n0.125000 0.125000 0.625000 Tm\n0.625000 0.125000 0.125000 Tm\n0.125000 0.125000 0.125000 Tm\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.293087 0.706913 0.706913 O\n0.543087 0.956913 0.956913 O\n0.706913 0.706913 0.293087 O\n0.293087 0.293087 0.706913 O\n0.000000 0.000000 0.000000 O\n0.293087 0.706913 0.293087 O\n0.706913 0.293087 0.706913 O\n0.956913 0.543087 0.956913 O\n0.543087 0.543087 0.956913 O\n0.956913 0.956913 0.543087 O\n0.250000 0.250000 0.250000 O\n0.543087 0.956913 0.543087 O\n0.706913 0.293087 0.293087 O\n0.956913 0.543087 0.543087 O\n",
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{
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"structure_string": "Sm2 Fe4\n1.0\n4.520873 0.000000 2.610127\n1.506958 4.262320 2.610127\n0.000000 0.000000 5.220255\nSm Fe\n2 4\ndirect\n0.875000 0.875000 0.875000 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
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{
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{
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"structure_string": "Li4 Co4 O8\n1.0\n-2.894017 2.907427 4.119085\n2.894017 -2.907427 4.119085\n2.894017 2.907427 -4.119085\nLi Co O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.723958 0.746701 0.977257 O\n0.262306 0.750477 0.988171 O\n0.269444 0.746701 0.522743 O\n0.262306 0.274135 0.511829 O\n0.737694 0.725865 0.488171 O\n0.730556 0.253299 0.477257 O\n0.737694 0.249523 0.011829 O\n0.276042 0.253299 0.022743 O\n",
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}