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{
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"results": [
{
"id": "mp-1039246",
"created_at": "2022-09-04T14:44:54.955932Z",
"structure_string": "Mg3 Cd3\n1.0\n2.643322 4.816076 0.000000\n-2.643322 4.816076 0.000000\n0.000000 3.204122 5.172955\nMg Cd\n3 3\ndirect\n0.673603 0.998297 0.001297 Mg\n0.001703 0.326397 0.998703 Mg\n0.491932 0.508068 0.500000 Mg\n0.339168 0.660832 0.000000 Cd\n0.162530 0.168937 0.504606 Cd\n0.831063 0.837470 0.495394 Cd\n",
"nsites": 6,
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},
{
"id": "mp-1094920",
"created_at": "2022-09-04T14:43:13.960550Z",
"structure_string": "Mg1 Zn3\n1.0\n1.488605 -2.578339 0.000000\n1.488605 2.578339 0.000000\n0.000000 0.000000 8.778603\nMg Zn\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n0.000000 0.000000 0.759833 Zn\n0.000000 0.000000 0.240167 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.434327624389002,
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"formula_full": "Mg1 Zn3",
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"band_gap": 0.0,
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"total_magnetization": 8.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.775000Z",
"spacegroup": 187
},
{
"id": "mp-865612",
"created_at": "2022-09-04T14:46:08.013955Z",
"structure_string": "Li2 Cd6\n1.0\n3.089821 -5.351728 0.000000\n3.089821 5.351728 0.000000\n0.000000 0.000000 4.941547\nLi Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.830045 0.169955 0.750000 Cd\n0.339909 0.169955 0.750000 Cd\n0.830045 0.660091 0.750000 Cd\n0.169955 0.830045 0.250000 Cd\n0.660091 0.830045 0.250000 Cd\n0.169955 0.339909 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "Cd-Li",
"density": 6.9941811012103745,
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"volume": 163.4256718371462,
"volume_molar": 12.30215499501078,
"formula_full": "Li2 Cd6",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy": -10.66492226,
"energy_per_atom": -1.3331152825,
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"energy_uncorrected": -10.66492226,
"band_gap": 0.0,
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"total_magnetization": 0.0010547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.924000Z",
"spacegroup": 194
},
{
"id": "mp-11465",
"created_at": "2022-09-04T14:41:47.930059Z",
"structure_string": "Mg10 Hg6\n1.0\n4.189238 -7.255973 0.000000\n4.189238 7.255973 0.000000\n0.000000 0.000000 5.855511\nMg Hg\n10 6\ndirect\n0.748986 0.000000 0.750000 Mg\n0.748986 0.748986 0.250000 Mg\n0.000000 0.251014 0.250000 Mg\n0.000000 0.748986 0.750000 Mg\n0.251014 0.251014 0.750000 Mg\n0.251014 0.000000 0.250000 Mg\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n0.387187 0.000000 0.750000 Hg\n0.387187 0.387187 0.250000 Hg\n0.000000 0.612813 0.250000 Hg\n0.000000 0.387187 0.750000 Hg\n0.612813 0.612813 0.750000 Hg\n0.612813 0.000000 0.250000 Hg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 6.747906664421594,
"density_atomic": 0.044946356640133994,
"volume": 355.9799101872721,
"volume_molar": 13.398507042999439,
"formula_full": "Mg10 Hg6",
"formula_reduced": "Mg5Hg3",
"formula_anonymous": "A3B5",
"energy": -21.31703467,
"energy_per_atom": -1.332314666875,
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"total_magnetization": 0.0007012,
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"updated_at": "2021-11-28T01:35:28.495000Z",
"spacegroup": 193
},
{
"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",
"nsites": 4,
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"elements": [
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"Cd",
"Pb"
],
"chemical_system": "Cd-Na-Pb",
"density": 0.6563924227588157,
"density_atomic": 0.0028758690681307078,
"volume": 1390.8839050868087,
"volume_molar": 209.40246643128106,
"formula_full": "Na1 Cd1 Pb2",
"formula_reduced": "NaCdPb2",
"formula_anonymous": "ABC2",
"energy": -5.32665961,
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"is_magnetic": true,
"total_magnetization": 3.0030648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.083000Z",
"spacegroup": 71
},
{
"id": "mp-1096715",
"created_at": "2022-09-04T14:40:35.975018Z",
"structure_string": "Mg2 Hg1 Rh1\n1.0\n-5.565944 6.100938 8.073201\n5.565944 -6.100938 8.073201\n5.565944 6.100938 -8.073201\nMg Hg Rh\n2 1 1\ndirect\n0.000000 0.224400 0.224400 Mg\n0.000000 0.775600 0.775600 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Hg",
"Rh"
],
"chemical_system": "Hg-Mg-Rh",
"density": 0.5331884163552526,
"density_atomic": 0.0036476972907295655,
"volume": 1096.582221931023,
"volume_molar": 165.09431238455448,
"formula_full": "Mg2 Hg1 Rh1",
"formula_reduced": "Mg2HgRh",
"formula_anonymous": "ABC2",
"energy": -5.32190057,
"energy_per_atom": -1.3304751425,
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"band_gap": 0.2186999999999996,
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"total_magnetization": 1.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.825000Z",
"spacegroup": 71
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"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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"Mg",
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],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1022643",
"created_at": "2022-09-04T14:42:08.754956Z",
"structure_string": "K2 Mg12 Zn2\n1.0\n5.194027 0.000000 0.000000\n0.000000 6.774374 0.000000\n0.000000 0.000000 11.571338\nK Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.170838 K\n0.500000 0.000000 0.670838 K\n0.000000 0.228865 0.072966 Mg\n0.000000 0.771135 0.072966 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.241305 0.917295 Mg\n0.500000 0.758695 0.917295 Mg\n0.500000 0.500000 0.663343 Mg\n0.000000 0.728865 0.572966 Mg\n0.000000 0.271135 0.572966 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.741305 0.417295 Mg\n0.500000 0.258695 0.417295 Mg\n0.500000 0.000000 0.163343 Mg\n0.000000 0.500000 0.352578 Zn\n0.000000 0.000000 0.852578 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "K-Mg-Zn",
"density": 2.0419622314428096,
"density_atomic": 0.03929732880749892,
"volume": 407.1523557842129,
"volume_molar": 15.324554983113314,
"formula_full": "K2 Mg12 Zn2",
"formula_reduced": "KMg6Zn",
"formula_anonymous": "ABC6",
"energy": -21.26878015,
"energy_per_atom": -1.329298759375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:40.422000Z",
"spacegroup": 38
},
{
"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Nd-Rb",
"density": 2.5146772387912804,
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"volume": 264.56172119860776,
"volume_molar": 39.8306981191473,
"formula_full": "Rb3 Nd1",
"formula_reduced": "Rb3Nd",
"formula_anonymous": "AB3",
"energy": -5.30667613,
"energy_per_atom": -1.3266690325,
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"updated_at": "2021-11-28T01:34:32.874000Z",
"spacegroup": 139
},
{
"id": "mp-1021346",
"created_at": "2022-09-04T14:46:55.954180Z",
"structure_string": "K2 Na2 Mg12\n1.0\n5.465537 0.000000 0.000000\n0.000000 6.457706 0.000000\n0.000000 0.000000 12.695550\nK Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.676762 K\n0.500000 0.000000 0.176762 K\n0.500000 0.000000 0.672441 Na\n0.500000 0.500000 0.172441 Na\n0.500000 0.749812 0.923062 Mg\n0.500000 0.250188 0.923062 Mg\n0.000000 0.244300 0.562251 Mg\n0.000000 0.755700 0.562251 Mg\n0.000000 0.500000 0.845779 Mg\n0.000000 0.000000 0.834387 Mg\n0.500000 0.249812 0.423062 Mg\n0.500000 0.750188 0.423062 Mg\n0.000000 0.744300 0.062251 Mg\n0.000000 0.255700 0.062251 Mg\n0.000000 0.000000 0.345779 Mg\n0.000000 0.500000 0.334387 Mg\n",
"nsites": 16,
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"elements": [
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"density": 1.5410215032693453,
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"volume": 448.0872926938518,
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"formula_full": "K2 Na2 Mg12",
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"updated_at": "2021-11-28T01:37:51.865000Z",
"spacegroup": 38
},
{
"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",
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"volume": 2402.707546579256,
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"formula_full": "K2 Rb1 As1",
"formula_reduced": "K2RbAs",
"formula_anonymous": "ABC2",
"energy": -5.30441679,
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"updated_at": "2021-11-28T01:36:38.887000Z",
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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",
"nsites": 4,
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"elements": [
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"density": 2.604718721770386,
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"volume": 252.3051677702365,
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"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
"formula_anonymous": "AB3",
"energy": -5.30165618,
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"updated_at": "2021-11-28T01:35:15.039000Z",
"spacegroup": 139
}
]
}