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{
"id": "mp-1120720",
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"structure_string": "Li6 In2 Br12\n1.0\n-3.469123 -6.008697 0.000000\n-3.469123 6.008697 0.000000\n0.000000 0.000000 -12.715160\nLi In Br\n6 2 12\ndirect\n0.666667 0.333334 0.960187 Li\n0.666667 0.333334 0.539813 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666666 0.039813 Li\n0.333333 0.666666 0.460187 Li\n0.666667 0.333334 0.250000 In\n0.333333 0.666666 0.750000 In\n0.655911 0.682757 0.876830 Br\n0.026846 0.344090 0.876830 Br\n0.317244 0.973155 0.876830 Br\n0.344089 0.026845 0.376830 Br\n0.682756 0.655910 0.376830 Br\n0.344089 0.317243 0.123170 Br\n0.682756 0.026845 0.123170 Br\n0.973154 0.655910 0.123170 Br\n0.655911 0.973155 0.623170 Br\n0.026846 0.682757 0.623170 Br\n0.973154 0.317243 0.376830 Br\n0.317244 0.344090 0.623170 Br\n",
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{
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"structure_string": "Y10 Ir4\n1.0\n0.000000 6.549304 0.000000\n-0.009876 0.000000 7.231263\n7.836272 -3.274652 -0.916517\nY Ir\n10 4\ndirect\n0.970097 0.918458 0.181747 Y\n0.788349 0.581542 0.818253 Y\n0.029903 0.081542 0.818253 Y\n0.211651 0.418458 0.181747 Y\n0.653865 0.818946 0.442568 Y\n0.211296 0.681054 0.557432 Y\n0.346135 0.181054 0.557432 Y\n0.788704 0.318946 0.442568 Y\n0.427241 0.750000 0.000000 Y\n0.572759 0.250000 0.000000 Y\n0.827800 0.573239 0.218674 Ir\n0.609125 0.926761 0.781326 Ir\n0.172200 0.426761 0.781326 Ir\n0.390875 0.073239 0.218674 Ir\n",
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},
{
"id": "mp-640956",
"created_at": "2022-09-04T14:40:25.486873Z",
"structure_string": "Eu1 Sb12 Os4\n1.0\n-4.829500 4.829500 4.829500\n4.829500 -4.829500 4.829500\n4.829500 4.829500 -4.829500\nEu Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.339636 0.156860 0.496496 Sb\n0.339636 0.843140 0.182777 Sb\n0.660364 0.156860 0.817223 Sb\n0.817223 0.660364 0.156860 Sb\n0.156860 0.496496 0.339636 Sb\n0.503504 0.660364 0.843140 Sb\n0.843140 0.182777 0.339636 Sb\n0.660364 0.843140 0.503504 Sb\n0.182777 0.339636 0.843140 Sb\n0.156860 0.817223 0.660364 Sb\n0.496496 0.339636 0.156860 Sb\n0.843140 0.503504 0.660364 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
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"formula_full": "Eu1 Sb12 Os4",
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{
"id": "mp-1079843",
"created_at": "2022-09-04T14:40:18.541081Z",
"structure_string": "La3 Mg3 Ag3\n1.0\n3.960049 -6.859006 0.000000\n3.960049 6.859006 0.000000\n0.000000 0.000000 4.390907\nLa Mg Ag\n3 3 3\ndirect\n0.414716 0.414716 0.500000 La\n0.585284 0.000000 0.500000 La\n0.000000 0.585284 0.500000 La\n0.760804 0.760804 0.000000 Mg\n0.239196 0.000000 0.000000 Mg\n0.000000 0.239196 0.000000 Mg\n0.666667 0.333333 0.000000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n",
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{
"id": "mp-973056",
"created_at": "2022-09-04T14:48:14.060466Z",
"structure_string": "Na2 Cd1 Hg1\n1.0\n0.000000 3.756446 3.756446\n3.756446 0.000000 3.756446\n3.756446 3.756446 0.000000\nNa Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"updated_at": "2021-11-28T01:38:31.192000Z",
"spacegroup": 225
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{
"id": "mp-1186008",
"created_at": "2022-09-04T14:43:05.600474Z",
"structure_string": "Na6 Tc2\n1.0\n3.341003 -5.786786 0.000000\n3.341003 5.786786 0.000000\n0.000000 0.000000 5.483324\nNa Tc\n6 2\ndirect\n0.175627 0.351255 0.250000 Na\n0.648745 0.824373 0.250000 Na\n0.175627 0.824373 0.250000 Na\n0.824373 0.648745 0.750000 Na\n0.351255 0.175627 0.750000 Na\n0.824373 0.175627 0.750000 Na\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n",
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{
"id": "mp-698616",
"created_at": "2022-09-04T14:44:04.087919Z",
"structure_string": "Rb6 Fe2 F6\n1.0\n6.222645 0.000000 0.000000\n2.747143 5.764384 0.000000\n2.135173 0.722434 10.344148\nRb Fe F\n6 2 6\ndirect\n0.387871 0.375098 0.857176 Rb\n0.760537 0.744331 0.748441 Rb\n0.899606 0.861945 0.371491 Rb\n0.273817 0.229655 0.237921 Rb\n0.130379 0.131599 0.619557 Rb\n0.654999 0.591871 0.121016 Rb\n0.039912 0.978214 0.988048 Fe\n0.534789 0.487404 0.489478 Fe\n0.638212 0.165495 0.609243 F\n0.121358 0.643587 0.087417 F\n0.186037 0.566753 0.601564 F\n0.874146 0.310018 0.886537 F\n0.730263 0.094234 0.132164 F\n0.378075 0.809797 0.379946 F\n",
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"formula_full": "Rb6 Fe2 F6",
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{
"id": "mp-1105841",
"created_at": "2022-09-04T14:40:44.213950Z",
"structure_string": "Dy12 Ru4\n1.0\n6.307605 0.000000 0.000000\n0.000000 7.302876 0.000000\n0.000000 0.000000 9.205558\nDy Ru\n12 4\ndirect\n0.330031 0.677004 0.064795 Dy\n0.169969 0.177004 0.435205 Dy\n0.669969 0.322996 0.564795 Dy\n0.830031 0.822996 0.935205 Dy\n0.669969 0.322996 0.935205 Dy\n0.830031 0.822996 0.564795 Dy\n0.330031 0.677004 0.435205 Dy\n0.169969 0.177004 0.064795 Dy\n0.864564 0.540327 0.250000 Dy\n0.635436 0.040327 0.250000 Dy\n0.135436 0.459673 0.750000 Dy\n0.364564 0.959673 0.750000 Dy\n0.040011 0.885444 0.250000 Ru\n0.459989 0.385444 0.250000 Ru\n0.959989 0.114556 0.750000 Ru\n0.540011 0.614556 0.750000 Ru\n",
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{
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"created_at": "2022-09-04T14:42:14.423473Z",
"structure_string": "Sm4 Lu4 Se12\n1.0\n4.098754 0.000000 0.000000\n0.000000 11.545141 0.000000\n0.000000 3.829669 11.200922\nSm Lu Se\n4 4 12\ndirect\n0.250000 0.318872 0.502792 Sm\n0.750000 0.681128 0.497208 Sm\n0.250000 0.951102 0.697126 Sm\n0.750000 0.048898 0.302874 Sm\n0.250000 0.842081 0.082194 Lu\n0.750000 0.157919 0.917806 Lu\n0.250000 0.562215 0.836751 Lu\n0.750000 0.437785 0.163249 Lu\n0.250000 0.605784 0.060471 Se\n0.750000 0.394216 0.939529 Se\n0.250000 0.262600 0.268607 Se\n0.750000 0.737400 0.731393 Se\n0.250000 0.190621 0.756753 Se\n0.750000 0.809379 0.243247 Se\n0.250000 0.082060 0.094062 Se\n0.750000 0.917940 0.905938 Se\n0.250000 0.888359 0.463873 Se\n0.750000 0.111641 0.536127 Se\n0.250000 0.514479 0.623349 Se\n0.750000 0.485521 0.376651 Se\n",
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{
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{
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"formula_reduced": "Y16Mg3AlNi4",
"formula_anonymous": "AB3C4D16",
"energy": -140.77287467,
"energy_per_atom": -5.865536444583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.77287467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0285006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.017000Z",
"spacegroup": 160
}
]
}