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{
"id": "mp-1028253",
"created_at": "2022-09-04T14:40:03.562337Z",
"structure_string": "Mg14 Al1 Cu1\n1.0\n6.222032 -0.008900 0.000000\n-3.118724 5.401787 0.000000\n0.000000 0.000000 10.216449\nMg Al Cu\n14 1 1\ndirect\n0.168697 0.334348 0.625000 Mg\n0.167836 0.833918 0.625000 Mg\n0.672846 0.336449 0.125000 Mg\n0.665905 0.333409 0.625000 Mg\n0.672846 0.836396 0.125000 Mg\n0.665905 0.832496 0.625000 Mg\n0.326146 0.161358 0.358750 Mg\n0.326146 0.161358 0.891250 Mg\n0.326146 0.664788 0.358750 Mg\n0.326146 0.664788 0.891250 Mg\n0.838317 0.169159 0.371551 Mg\n0.838317 0.169159 0.878449 Mg\n0.841263 0.670632 0.366250 Mg\n0.841263 0.670632 0.883750 Mg\n0.160179 0.330089 0.125000 Al\n0.162043 0.831021 0.125000 Cu\n",
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{
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{
"id": "mp-1226542",
"created_at": "2022-09-04T14:48:21.394309Z",
"structure_string": "Ce1 Y1 Cu4\n1.0\n-2.153607 3.442850 3.686090\n2.153607 -3.442850 3.686090\n2.153607 3.442850 -3.686090\nCe Y Cu\n1 1 4\ndirect\n0.039569 0.539569 0.500000 Ce\n0.462591 0.462591 0.000000 Y\n0.464535 0.164857 0.299678 Cu\n0.034456 0.834063 0.200393 Cu\n0.633670 0.834063 0.799607 Cu\n0.865179 0.164857 0.700322 Cu\n",
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"volume": 109.32273339561237,
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"formula_full": "Ce1 Y1 Cu4",
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"formula_anonymous": "ABC4",
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},
{
"id": "mp-1110700",
"created_at": "2022-09-04T14:46:42.597049Z",
"structure_string": "Rb2 Na1 Sb1 Br6\n1.0\n0.000000 5.731248 5.731248\n5.731248 0.000000 5.731248\n5.731248 5.731248 0.000000\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754805 0.245195 0.245195 Br\n0.245195 0.245195 0.754805 Br\n0.245195 0.754805 0.754805 Br\n0.245195 0.754805 0.245195 Br\n0.754805 0.245195 0.754805 Br\n0.754805 0.754805 0.245195 Br\n",
"nsites": 10,
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"density_atomic": 0.026559653198578382,
"volume": 376.51094030607504,
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"formula_full": "Rb2 Na1 Sb1 Br6",
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"updated_at": "2021-11-28T01:37:44.063000Z",
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{
"id": "mp-867214",
"created_at": "2022-09-04T14:41:16.739369Z",
"structure_string": "Er2 Ir1 Ru1\n1.0\n0.000000 3.380717 3.380717\n3.380717 0.000000 3.380717\n3.380717 3.380717 0.000000\nEr Ir Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
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"volume": 77.27810219526214,
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"updated_at": "2021-11-28T01:35:09.459000Z",
"spacegroup": 225
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{
"id": "mp-1076000",
"created_at": "2022-09-04T14:47:57.461659Z",
"structure_string": "La1 Ag1 O3\n1.0\n4.108444 0.000000 0.000000\n0.000000 4.108444 0.000000\n0.000000 0.000000 4.108444\nLa Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"Ag",
"O"
],
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"density": 7.0583472226186075,
"density_atomic": 0.07210043570686307,
"volume": 69.34770852603963,
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"formula_full": "La1 Ag1 O3",
"formula_reduced": "LaAgO3",
"formula_anonymous": "ABC3",
"energy": -32.053202580000004,
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{
"id": "mp-1094072",
"created_at": "2022-09-04T14:43:34.031182Z",
"structure_string": "Pr3 Al1 N1\n1.0\n5.048162 0.000000 0.000000\n0.000000 5.048162 0.000000\n0.000000 0.000000 5.048162\nPr Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"volume": 128.64705538918736,
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"formula_full": "Pr3 Al1 N1",
"formula_reduced": "Pr3AlN",
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"spacegroup": 221
},
{
"id": "mp-1217684",
"created_at": "2022-09-04T14:46:41.175895Z",
"structure_string": "Tb2 Te1 S2\n1.0\n-2.116247 2.688693 6.804231\n2.116247 -2.688693 6.804231\n2.116247 2.688693 -6.804231\nTb Te S\n2 1 2\ndirect\n0.833886 0.333886 0.500000 Tb\n0.166114 0.666114 0.500000 Tb\n0.000000 0.000000 0.000000 Te\n0.705476 0.705476 0.000000 S\n0.294524 0.294524 0.000000 S\n",
"nsites": 5,
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],
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"density": 5.464059954117586,
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"volume": 154.86262358774349,
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"formula_full": "Tb2 Te1 S2",
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"formula_anonymous": "AB2C2",
"energy": -31.41804298,
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"spacegroup": 71
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{
"id": "mp-1187118",
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"structure_string": "Sn2 Pb6\n1.0\n3.498496 -6.059573 0.000000\n3.498496 6.059573 0.000000\n0.000000 0.000000 5.789706\nSn Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.169304 0.338608 0.250000 Pb\n0.661392 0.830696 0.250000 Pb\n0.169304 0.830696 0.250000 Pb\n0.830696 0.661392 0.750000 Pb\n0.338608 0.169304 0.750000 Pb\n0.830696 0.169304 0.750000 Pb\n",
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{
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"structure_string": "Lu1 B1 Pd3\n1.0\n4.286119 0.000000 0.000000\n0.000000 4.286119 0.000000\n0.000000 0.000000 4.286119\nLu B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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{
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"structure_string": "Co2 Se4\n1.0\n3.642936 0.000000 0.000000\n0.000000 4.895853 0.000000\n0.000000 0.000000 5.821293\nCo Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.218103 0.369086 Se\n0.000000 0.781897 0.630914 Se\n0.500000 0.718103 0.130914 Se\n0.500000 0.281897 0.869086 Se\n",
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{
"id": "mp-561317",
"created_at": "2022-09-04T14:47:29.900120Z",
"structure_string": "Rb2 Ni1 F4\n1.0\n-2.080294 2.080294 6.933736\n2.080294 -2.080294 6.933736\n2.080294 2.080294 -6.933736\nRb Ni F\n2 1 4\ndirect\n0.645952 0.645952 0.000000 Rb\n0.354048 0.354048 0.000000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.853903 0.853903 0.000000 F\n0.146097 0.146097 0.000000 F\n",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:38:15.034000Z",
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}
]
}