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{
"id": "mp-1039765",
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"structure_string": "Ce3 Mg3\n1.0\n1.559551 -2.701221 0.000000\n1.559551 2.701221 0.000000\n0.000000 0.000000 17.667655\nCe Mg\n3 3\ndirect\n0.000000 0.000000 0.835406 Ce\n0.333333 0.666667 0.659427 Ce\n0.000000 0.000000 0.170919 Ce\n0.333333 0.666667 0.002302 Mg\n0.000000 0.000000 0.492474 Mg\n0.333333 0.666667 0.339472 Mg\n",
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{
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{
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"formula_full": "Ce3 Mg3",
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{
"id": "mp-1226900",
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"structure_string": "Ce3 Mg2 Rh4\n1.0\n3.901070 -6.070914 0.000000\n3.901070 6.070914 0.000000\n0.000000 0.000000 3.913316\nCe Mg Rh\n3 2 4\ndirect\n0.423206 0.423206 0.000000 Ce\n0.614505 0.963706 0.000000 Ce\n0.963706 0.614505 0.000000 Ce\n0.257210 0.999441 0.500000 Mg\n0.999441 0.257210 0.500000 Mg\n0.307966 0.644081 0.500000 Rh\n0.644081 0.307966 0.500000 Rh\n0.029467 0.029467 0.000000 Rh\n0.760319 0.760319 0.500000 Rh\n",
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"density": 7.888695205917646,
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"volume": 185.35859899489355,
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"formula_full": "Ce3 Mg2 Rh4",
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"formula_anonymous": "A2B3C4",
"energy": -55.95329022,
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{
"id": "mp-1227195",
"created_at": "2022-09-04T14:47:59.713392Z",
"structure_string": "Ce3 Mg2 In1 Au3\n1.0\n3.893434 -6.645015 0.000000\n3.893434 6.645015 0.000000\n0.000000 0.000000 4.257132\nCe Mg In Au\n3 2 1 3\ndirect\n0.583548 0.583548 0.000000 Ce\n0.413276 0.999491 0.000000 Ce\n0.999491 0.413276 0.000000 Ce\n0.756879 0.000423 0.500000 Mg\n0.000423 0.756879 0.500000 Mg\n0.247514 0.247514 0.500000 In\n0.335698 0.673833 0.500000 Au\n0.673833 0.335698 0.500000 Au\n0.989238 0.989238 0.000000 Au\n",
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"volume": 220.2804194892917,
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{
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"structure_string": "Ce3 Mg1\n1.0\n4.814688 0.000000 0.000000\n0.000000 4.814688 0.000000\n0.000000 0.000000 4.814688\nCe Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Mg\n",
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"spacegroup": 221
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{
"id": "mp-1038790",
"created_at": "2022-09-04T14:41:57.965092Z",
"structure_string": "Ce3 Mg1\n1.0\n-2.375920 2.375920 4.861224\n2.375920 -2.375920 4.861224\n2.375920 2.375920 -4.861224\nCe Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.250000 0.750000 0.500000 Ce\n0.750000 0.250000 0.500000 Ce\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1038902",
"created_at": "2022-09-04T14:48:05.435926Z",
"structure_string": "Ce3 Mg1\n1.0\n-1.628095 3.017253 5.512474\n1.628095 -3.017253 5.512474\n1.628095 3.017253 -5.512474\nCe Mg\n3 1\ndirect\n0.152745 0.500000 0.652745 Ce\n0.255445 0.249943 0.005502 Ce\n0.755560 0.750057 0.005502 Ce\n0.669585 0.000000 0.669585 Mg\n",
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{
"id": "mp-1038988",
"created_at": "2022-09-04T14:42:05.043655Z",
"structure_string": "Ce3 Mg1\n1.0\n3.254025 0.000000 0.000000\n0.000000 5.491523 0.000000\n0.000000 0.000000 5.938444\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.999594 Ce\n0.500000 0.000000 0.489627 Ce\n0.500000 0.500000 0.846316 Ce\n0.000000 0.500000 0.331129 Mg\n",
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{
"id": "mp-1038876",
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"structure_string": "Ce3 Mg1\n1.0\n1.597382 -2.766747 0.000000\n1.597382 2.766747 0.000000\n0.000000 0.000000 11.752829\nCe Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Ce\n0.000000 0.000000 0.749329 Ce\n0.000000 0.000000 0.250671 Ce\n0.666667 0.333333 0.500000 Mg\n",
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{
"id": "mp-1039189",
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"structure_string": "Ce3 Mg1\n1.0\n0.000000 3.759713 3.759713\n3.759713 0.000000 3.759713\n3.759713 3.759713 0.000000\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Mg\n",
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{
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"structure_string": "Ce3 Ir9\n1.0\n8.983724 -2.663629 0.000000\n8.983724 2.663629 0.000000\n8.193971 0.000000 4.545443\nCe Ir\n3 9\ndirect\n0.000000 0.000000 0.000000 Ce\n0.138829 0.138829 0.138829 Ce\n0.861171 0.861171 0.861171 Ce\n0.500000 0.500000 0.500000 Ir\n0.333269 0.333269 0.333269 Ir\n0.666731 0.666731 0.666731 Ir\n0.081476 0.582926 0.582926 Ir\n0.582926 0.582926 0.081476 Ir\n0.582926 0.081476 0.582926 Ir\n0.417074 0.918524 0.417074 Ir\n0.918524 0.417074 0.417074 Ir\n0.417074 0.417074 0.918524 Ir\n",
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]
}