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{
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{
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{
"id": "mp-1235381",
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"structure_string": "Li1 Cu2 Rh4 O8\n1.0\n5.606765 -0.357926 -2.841029\n-3.676548 5.101203 -0.301190\n-0.157513 0.233265 5.995716\nLi Cu Rh O\n1 2 4 8\ndirect\n0.249998 0.874997 0.125002 Li\n0.956550 0.021724 0.978198 Cu\n0.543666 0.728236 0.271887 Cu\n0.749953 0.374983 0.124949 Rh\n0.749958 0.374980 0.625001 Rh\n0.249949 0.375019 0.624982 Rh\n0.250008 0.875046 0.625014 Rh\n0.231659 0.616412 0.383044 O\n0.766758 0.151412 0.383174 O\n0.716827 0.141005 0.858186 O\n0.783206 0.608969 0.391832 O\n0.231674 0.616880 0.848702 O\n0.268329 0.133630 0.866910 O\n0.268320 0.133167 0.401345 O\n0.733144 0.598540 0.866776 O\n",
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"formula_full": "Li1 Cu2 Rh4 O8",
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{
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{
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"created_at": "2022-09-04T14:46:41.243500Z",
"structure_string": "Pr2 Ga7 Ni1\n1.0\n4.299024 0.000000 0.000000\n0.000000 4.299024 0.000000\n0.000000 0.000000 10.426185\nPr Ga Ni\n2 7 1\ndirect\n0.000000 0.000000 0.997839 Pr\n0.500000 0.500000 0.484898 Pr\n0.000000 0.500000 0.232305 Ga\n0.500000 0.000000 0.755575 Ga\n0.500000 0.000000 0.232305 Ga\n0.000000 0.500000 0.755575 Ga\n0.000000 0.000000 0.618066 Ga\n0.000000 0.000000 0.380195 Ga\n0.500000 0.500000 0.910425 Ga\n0.500000 0.500000 0.132819 Ni\n",
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"formula_full": "Pr2 Ga7 Ni1",
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{
"id": "mp-1183554",
"created_at": "2022-09-04T14:46:57.271322Z",
"structure_string": "Ca1 Ho1 Hg2\n1.0\n0.000000 3.735905 3.735905\n3.735905 0.000000 3.735905\n3.735905 3.735905 0.000000\nCa Ho Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"created_at": "2022-09-04T14:46:40.897917Z",
"structure_string": "Ba6 Sm2 Ir2 Ru2 O18\n1.0\n3.001861 -5.199375 0.000000\n3.001861 5.199375 0.000000\n0.000000 0.000000 14.842844\nBa Sm Ir Ru O\n6 2 2 2 18\ndirect\n0.333333 0.666667 0.597411 Ba\n0.666667 0.333333 0.401992 Ba\n0.666667 0.333333 0.097411 Ba\n0.333333 0.666667 0.901992 Ba\n0.000000 0.000000 0.250315 Ba\n0.000000 0.000000 0.750315 Ba\n0.000000 0.000000 0.498910 Sm\n0.000000 0.000000 0.998910 Sm\n0.333333 0.666667 0.334340 Ir\n0.666667 0.333333 0.834340 Ir\n0.666667 0.333333 0.664449 Ru\n0.333333 0.666667 0.164449 Ru\n0.178327 0.356655 0.089579 O\n0.643345 0.821673 0.089579 O\n0.178327 0.821673 0.089579 O\n0.822342 0.644684 0.911637 O\n0.355316 0.177658 0.911637 O\n0.822342 0.177658 0.911637 O\n0.821673 0.643345 0.589579 O\n0.356655 0.178327 0.589579 O\n0.821673 0.178327 0.589579 O\n0.177658 0.355316 0.411637 O\n0.644684 0.822342 0.411637 O\n0.177658 0.822342 0.411637 O\n0.489335 0.510665 0.249650 O\n0.489335 0.978669 0.249650 O\n0.021331 0.510665 0.249650 O\n0.510665 0.489335 0.749650 O\n0.510665 0.021331 0.749650 O\n0.978669 0.489335 0.749650 O\n",
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"density": 7.165167059107088,
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"formula_full": "Ba6 Sm2 Ir2 Ru2 O18",
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{
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{
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{
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{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0278802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.658000Z",
"spacegroup": 225
}
]
}