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{
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{
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"structure_string": "La20 Pb16\n1.0\n8.661117 0.000000 0.000000\n0.000000 8.764020 0.000000\n0.000000 0.000000 16.516208\nLa Pb\n20 16\ndirect\n0.879387 0.659448 0.117295 La\n0.379387 0.840552 0.382705 La\n0.620613 0.159448 0.882705 La\n0.120613 0.340552 0.617295 La\n0.120613 0.340552 0.882705 La\n0.620613 0.159448 0.617295 La\n0.379387 0.840552 0.117295 La\n0.879387 0.659448 0.382705 La\n0.028407 0.179017 0.101167 La\n0.528407 0.320983 0.398833 La\n0.471593 0.679017 0.898833 La\n0.971593 0.820983 0.601167 La\n0.971593 0.820983 0.898833 La\n0.471593 0.679017 0.601167 La\n0.528407 0.320983 0.101167 La\n0.028407 0.179017 0.398833 La\n0.710550 0.996762 0.250000 La\n0.210550 0.503238 0.250000 La\n0.789450 0.496762 0.750000 La\n0.289450 0.003238 0.750000 La\n0.077866 0.880255 0.250000 Pb\n0.577866 0.619745 0.250000 Pb\n0.422134 0.380255 0.750000 Pb\n0.922134 0.119745 0.750000 Pb\n0.834995 0.356264 0.250000 Pb\n0.334995 0.143736 0.250000 Pb\n0.665005 0.856264 0.750000 Pb\n0.165005 0.643736 0.750000 Pb\n0.779287 0.467784 0.956297 Pb\n0.279287 0.032216 0.543703 Pb\n0.720713 0.967784 0.043703 Pb\n0.220713 0.532216 0.456297 Pb\n0.220713 0.532216 0.043703 Pb\n0.720713 0.967784 0.456297 Pb\n0.279287 0.032216 0.956297 Pb\n0.779287 0.467784 0.543703 Pb\n",
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{
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"structure_string": "In2 Bi1\n1.0\n2.806151 -4.860395 0.000000\n2.806151 4.860395 0.000000\n0.000000 0.000000 3.308405\nIn Bi\n2 1\ndirect\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "mp-1223139",
"created_at": "2022-09-04T14:44:06.835521Z",
"structure_string": "La8 Bi2 Pb4\n1.0\n-4.957301 4.957301 4.935631\n4.957301 -4.957301 4.935631\n4.957301 4.957301 -4.935631\nLa Bi Pb\n8 2 4\ndirect\n0.017515 0.268327 0.894654 La\n0.373673 0.122861 0.105346 La\n0.232485 0.627139 0.750812 La\n0.876327 0.481673 0.249188 La\n0.372861 0.123673 0.605346 La\n0.518327 0.767515 0.394654 La\n0.731673 0.626327 0.749188 La\n0.877139 0.982485 0.250812 La\n0.500000 0.500000 0.000000 Bi\n0.750000 0.250000 0.500000 Bi\n0.998843 0.875000 0.623843 Pb\n0.251157 0.375000 0.376157 Pb\n0.125000 0.748843 0.123843 Pb\n0.625000 0.001157 0.876157 Pb\n",
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{
"id": "mp-8558",
"created_at": "2022-09-04T14:47:12.809490Z",
"structure_string": "Ba1 Np1 O3\n1.0\n4.429278 0.000000 0.000000\n0.000000 4.429278 0.000000\n0.000000 0.000000 4.429278\nBa Np O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:40:55.884400Z",
"structure_string": "Tb3 Ce1\n1.0\n1.777917 -3.079442 0.000000\n1.777917 3.079442 0.000000\n0.000000 0.000000 11.591720\nTb Ce\n3 1\ndirect\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.249892 Tb\n0.333333 0.666667 0.750108 Tb\n0.666667 0.333333 0.000000 Ce\n",
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{
"id": "mp-1377201",
"created_at": "2022-09-04T14:47:29.360297Z",
"structure_string": "Mg4 Bi8 O16\n1.0\n3.360267 0.000000 0.000000\n0.000000 10.671862 0.000000\n0.000000 0.000000 11.619221\nMg Bi O\n4 8 16\ndirect\n0.250000 0.218178 0.857364 Mg\n0.750000 0.781822 0.142636 Mg\n0.250000 0.718178 0.642636 Mg\n0.750000 0.281822 0.357364 Mg\n0.750000 0.417531 0.621626 Bi\n0.250000 0.082469 0.121626 Bi\n0.750000 0.917531 0.878374 Bi\n0.250000 0.582469 0.378374 Bi\n0.250000 0.600449 0.897544 Bi\n0.750000 0.399551 0.102456 Bi\n0.250000 0.100449 0.602456 Bi\n0.750000 0.899551 0.397544 Bi\n0.750000 0.965184 0.589913 O\n0.250000 0.034816 0.410087 O\n0.750000 0.465184 0.910087 O\n0.250000 0.534816 0.089913 O\n0.750000 0.967286 0.201377 O\n0.250000 0.032714 0.798623 O\n0.750000 0.467286 0.298623 O\n0.250000 0.532714 0.701377 O\n0.750000 0.693081 0.522818 O\n0.250000 0.306919 0.477182 O\n0.750000 0.193081 0.977182 O\n0.250000 0.806919 0.022818 O\n0.250000 0.740882 0.263056 O\n0.750000 0.259118 0.736944 O\n0.750000 0.759118 0.763056 O\n0.250000 0.240882 0.236944 O\n",
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{
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{
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{
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"structure_string": "Sm4 Ga4 Ni4\n1.0\n4.361785 0.000000 0.000000\n0.000000 7.019696 0.000000\n0.000000 0.000000 7.493644\nSm Ga Ni\n4 4 4\ndirect\n0.250000 0.020278 0.800922 Sm\n0.250000 0.520278 0.699078 Sm\n0.750000 0.979722 0.199078 Sm\n0.750000 0.479722 0.300922 Sm\n0.250000 0.179340 0.420791 Ga\n0.250000 0.679340 0.079209 Ga\n0.750000 0.820660 0.579209 Ga\n0.750000 0.320660 0.920791 Ga\n0.250000 0.793933 0.409490 Ni\n0.250000 0.293933 0.090510 Ni\n0.750000 0.206067 0.590510 Ni\n0.750000 0.706067 0.909490 Ni\n",
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],
"chemical_system": "P-Pd-Zr",
"density": 8.07007190293327,
"density_atomic": 0.06258484488517918,
"volume": 335.54449225731076,
"volume_molar": 9.62236268388693,
"formula_full": "Zr5 P7 Pd9",
"formula_reduced": "Zr5P7Pd9",
"formula_anonymous": "A5B7C9",
"energy": -146.8725073,
"energy_per_atom": -6.993928919047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.8725073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013629,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.972000Z",
"spacegroup": 38
}
]
}