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{
"id": "mp-1097275",
"created_at": "2022-09-04T14:43:13.411192Z",
"structure_string": "Na1 Cd1 Pb2\n1.0\n-5.937510 6.361728 9.205586\n5.937510 -6.361728 9.205586\n5.937510 6.361728 -9.205586\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Cd\n0.000000 0.261256 0.261256 Pb\n0.000000 0.738744 0.738744 Pb\n",
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{
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"spacegroup": 71
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{
"id": "mp-1093727",
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"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Li-Mg",
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"volume": 989.7695011472599,
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"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
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{
"id": "mp-1186863",
"created_at": "2022-09-04T14:39:49.619028Z",
"structure_string": "Rb3 Nd1\n1.0\n-3.074328 3.074328 6.997882\n3.074328 -3.074328 6.997882\n3.074328 3.074328 -6.997882\nRb Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
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"elements": [
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"density": 2.5146772387912804,
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"volume": 264.56172119860776,
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"formula_full": "Rb3 Nd1",
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"updated_at": "2021-11-28T01:34:32.874000Z",
"spacegroup": 139
},
{
"id": "mp-1097274",
"created_at": "2022-09-04T14:44:16.471912Z",
"structure_string": "K2 Rb1 As1\n1.0\n-7.497178 7.570820 10.582790\n7.497178 -7.570820 10.582790\n7.497178 7.570820 -10.582790\nK Rb As\n2 1 1\ndirect\n0.208723 0.000000 0.208723 K\n0.791277 0.000000 0.791277 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"chemical_system": "As-K-Rb",
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"volume": 2402.707546579256,
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"formula_full": "K2 Rb1 As1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:38.887000Z",
"spacegroup": 71
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{
"id": "mp-1184035",
"created_at": "2022-09-04T14:41:12.567154Z",
"structure_string": "Cs1 Sr3\n1.0\n-3.184686 3.184686 6.219177\n3.184686 -3.184686 6.219177\n3.184686 3.184686 -6.219177\nCs Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
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"elements": [
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"density": 2.604718721770386,
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"volume": 252.3051677702365,
"volume_molar": 37.98543086969449,
"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.039000Z",
"spacegroup": 139
},
{
"id": "mp-1038767",
"created_at": "2022-09-04T14:41:09.262719Z",
"structure_string": "Mg2 Cd2\n1.0\n1.607753 5.718886 0.000000\n-1.607753 5.718886 0.000000\n0.000000 2.306885 4.780155\nMg Cd\n2 2\ndirect\n0.875998 0.875998 0.793041 Mg\n0.124002 0.124002 0.206959 Mg\n0.624445 0.624445 0.711432 Cd\n0.375555 0.375555 0.288568 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
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"density": 5.1653017045799015,
"density_atomic": 0.04550480403697846,
"volume": 87.90280684978865,
"volume_molar": 13.234076901212985,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:12.646000Z",
"spacegroup": 12
},
{
"id": "mp-1096503",
"created_at": "2022-09-04T14:45:14.640525Z",
"structure_string": "Mg2 Cu1 Ag1\n1.0\n-5.254831 5.791568 8.189744\n5.254831 -5.791568 8.189744\n5.254831 5.791568 -8.189744\nMg Cu Ag\n2 1 1\ndirect\n0.000000 0.247953 0.247953 Mg\n0.000000 0.752047 0.752047 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.3664665309270116,
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"volume": 996.9772103695315,
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"formula_full": "Mg2 Cu1 Ag1",
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"updated_at": "2021-11-28T01:36:57.225000Z",
"spacegroup": 71
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{
"id": "mp-22925",
"created_at": "2022-09-04T14:39:23.873015Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.320466 3.320466\n3.320466 0.000000 3.320466\n3.320466 3.320466 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 I\n",
"nsites": 2,
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"density": 5.324385940884999,
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"volume": 73.21955895634991,
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"formula_full": "Ag1 I1",
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"updated_at": "2021-11-28T01:34:37.649000Z",
"spacegroup": 216
},
{
"id": "mp-1060967",
"created_at": "2022-09-04T14:44:11.656243Z",
"structure_string": "Ag1 Br1\n1.0\n3.604067 0.000000 0.000000\n0.000000 3.604067 0.000000\n0.000000 0.000000 3.604067\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
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"formula_full": "Ag1 Br1",
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{
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"structure_string": "Ag1 I1\n1.0\n-2.394580 2.394580 3.194773\n2.394580 -2.394580 3.194773\n2.394580 2.394580 -3.194773\nAg I\n1 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n",
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{
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"structure_string": "Ba2 Hg1\n1.0\n-2.133911 2.133911 7.631326\n2.133911 -2.133911 7.631326\n2.133911 2.133911 -7.631326\nBa Hg\n2 1\ndirect\n0.369497 0.369497 0.000000 Ba\n0.630503 0.630503 0.000000 Ba\n0.000000 0.000000 0.000000 Hg\n",
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"updated_at": "2021-11-28T01:35:21.194000Z",
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}
]
}