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{
"id": "mp-1039073",
"created_at": "2022-09-04T14:44:18.369141Z",
"structure_string": "Mg3 Bi1\n1.0\n4.628921 0.000000 0.000000\n0.000000 4.628921 0.000000\n0.000000 0.000000 4.628921\nMg Bi\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
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{
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{
"id": "mp-1039056",
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"structure_string": "Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 6.1003529734261255,
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"volume": 135.62661631119397,
"volume_molar": 13.612709570475369,
"formula_full": "Mg2 Cd4",
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"energy": -6.84255171,
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"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.551000Z",
"spacegroup": 164
},
{
"id": "mp-1039055",
"created_at": "2022-09-04T14:40:34.244113Z",
"structure_string": "Mg3 Cd1\n1.0\n1.617714 -2.801963 0.000000\n1.617714 2.801963 0.000000\n0.000000 0.000000 9.890729\nMg Cd\n3 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.744856 Mg\n0.000000 0.000000 0.255144 Mg\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 3.432124324897516,
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"volume": 89.66489378729041,
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"formula_full": "Mg3 Cd1",
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"energy": -5.82818498,
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"updated_at": "2021-11-28T01:35:03.016000Z",
"spacegroup": 187
},
{
"id": "mp-1039050",
"created_at": "2022-09-04T14:39:11.357609Z",
"structure_string": "Mg3 Bi3\n1.0\n1.729010 6.350386 0.000000\n-1.729010 6.350386 0.000000\n0.000000 2.275557 7.725399\nMg Bi\n3 3\ndirect\n0.612109 0.612109 0.272156 Mg\n0.335219 0.335219 0.329504 Mg\n0.938096 0.938096 0.618557 Mg\n0.006670 0.006670 0.035447 Bi\n0.667871 0.667871 0.603459 Bi\n0.273367 0.273367 0.974209 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Bi-Mg",
"density": 6.85029647670283,
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"volume": 169.6479218168935,
"volume_molar": 17.027394413713456,
"formula_full": "Mg3 Bi3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:30.927000Z",
"spacegroup": 8
},
{
"id": "mp-1039049",
"created_at": "2022-09-04T14:44:14.792875Z",
"structure_string": "Ce6 Mg6\n1.0\n5.587238 0.000000 0.000000\n0.000000 3.237308 0.000000\n0.000000 0.000000 17.377628\nCe Mg\n6 6\ndirect\n0.000000 -0.000000 0.324021 Ce\n0.500000 0.500000 0.271916 Ce\n0.500000 -0.000000 0.127905 Ce\n0.000000 0.500000 0.824021 Ce\n0.500000 0.000000 0.771916 Ce\n0.500000 0.500000 0.627905 Ce\n-0.000000 0.500000 0.502646 Mg\n0.000000 0.500000 0.158899 Mg\n0.500000 0.000000 0.447946 Mg\n-0.000000 -0.000000 0.002646 Mg\n0.000000 -0.000000 0.658899 Mg\n0.500000 0.500000 0.947946 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.211778441047654,
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"volume": 314.3197627732105,
"volume_molar": 15.773982125584014,
"formula_full": "Ce6 Mg6",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -44.51330519,
"energy_per_atom": -3.7094420991666666,
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"updated_at": "2021-11-28T01:36:36.378000Z",
"spacegroup": 38
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{
"id": "mp-1039048",
"created_at": "2022-09-04T14:45:19.541011Z",
"structure_string": "Mg4 Bi2\n1.0\n5.615022 -2.897837 0.000000\n5.615022 2.897837 0.000000\n4.119487 0.000000 4.791217\nMg Bi\n4 2\ndirect\n0.336079 0.000000 0.663921 Mg\n0.000000 0.663921 0.336079 Mg\n0.500000 0.500000 0.500000 Mg\n0.663921 0.336079 0.000000 Mg\n0.835638 0.835638 0.835638 Bi\n0.164362 0.164362 0.164362 Bi\n",
"nsites": 6,
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"Mg",
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"density": 5.486653254083659,
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"volume": 155.91979393367313,
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"formula_full": "Mg4 Bi2",
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"energy": -14.36374193,
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"updated_at": "2021-11-28T01:37:05.726000Z",
"spacegroup": 155
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{
"id": "mp-1039033",
"created_at": "2022-09-04T14:41:55.126419Z",
"structure_string": "Ca1 Mg3\n1.0\n-1.683882 2.917219 5.514799\n1.683882 -2.917219 5.514799\n1.683882 2.917219 -5.514799\nCa Mg\n1 3\ndirect\n0.337099 0.000000 0.337099 Ca\n0.830698 0.500000 0.330698 Mg\n0.244389 0.244954 0.999435 Mg\n0.754481 0.755046 0.999435 Mg\n",
"nsites": 4,
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],
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"density": 1.7315309927176339,
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"volume": 108.36034211426389,
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"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy": -6.6553089,
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"updated_at": "2021-11-28T01:35:27.988000Z",
"spacegroup": 44
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{
"id": "mp-1039032",
"created_at": "2022-09-04T14:44:08.307232Z",
"structure_string": "Ca1 Zn3\n1.0\n0.000000 3.356146 3.356146\n3.356146 0.000000 3.356146\n3.356146 3.356146 0.000000\nCa Zn\n1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"elements": [
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"density": 5.190025321299071,
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"volume": 75.6053506179612,
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"updated_at": "2021-11-28T01:36:28.799000Z",
"spacegroup": 225
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{
"id": "mp-1039029",
"created_at": "2022-09-04T14:43:57.962952Z",
"structure_string": "Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n",
"nsites": 6,
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"spacegroup": 136
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{
"id": "mp-1039028",
"created_at": "2022-09-04T14:41:11.169086Z",
"structure_string": "Ca1 Mg5\n1.0\n1.650216 -2.858258 0.000000\n1.650216 2.858258 0.000000\n0.000000 0.000000 16.459998\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.824062 Mg\n0.000000 0.000000 0.662758 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.337242 Mg\n0.666667 0.333333 0.175938 Mg\n",
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"spacegroup": 187
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{
"id": "mp-1039026",
"created_at": "2022-09-04T14:43:04.793245Z",
"structure_string": "Mg4 Cd2\n1.0\n1.574913 -2.727829 0.000000\n1.574913 2.727829 0.000000\n0.000000 0.000000 15.693614\nMg Cd\n4 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.830876 Mg\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.169124 Mg\n0.000000 0.000000 0.665664 Cd\n0.000000 0.000000 0.334336 Cd\n",
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"updated_at": "2021-11-28T01:35:55.297000Z",
"spacegroup": 187
}
]
}