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{
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"results": [
{
"id": "mp-1093677",
"created_at": "2022-09-04T14:45:23.935607Z",
"structure_string": "Li1 Ag2 Hg1\n1.0\n-5.375072 5.795618 8.201091\n5.375072 -5.795618 8.201091\n5.375072 5.795618 -8.201091\nLi Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244359 0.244359 Ag\n0.000000 0.755641 0.755641 Ag\n0.000000 0.500000 0.500000 Hg\n",
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{
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"nsites": 8,
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"elements": [
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"formula_full": "Ba2 Hg6",
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"updated_at": "2021-11-28T01:36:17.152000Z",
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},
{
"id": "mp-1094839",
"created_at": "2022-09-04T14:40:19.943286Z",
"structure_string": "Mg1 Cd3\n1.0\n4.451600 0.000000 0.000000\n0.000000 4.451600 0.000000\n0.000000 0.000000 4.451600\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n",
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.80541552430542,
"density_atomic": 0.045343139843468015,
"volume": 88.21621118009601,
"volume_molar": 13.281261026010597,
"formula_full": "Mg1 Cd3",
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"formula_anonymous": "AB3",
"energy": -4.58710499,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.000895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.841000Z",
"spacegroup": 221
},
{
"id": "mp-1093734",
"created_at": "2022-09-04T14:42:14.199620Z",
"structure_string": "Sr2 Li1 Pb1\n1.0\n-6.752733 6.890438 9.769051\n6.752733 -6.890438 9.769051\n6.752733 6.890438 -9.769051\nSr Li Pb\n2 1 1\ndirect\n0.739434 0.000000 0.739434 Sr\n0.260566 0.000000 0.260566 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 0.3556190994494182,
"density_atomic": 0.0021999925775206515,
"volume": 1818.1879524829676,
"volume_molar": 273.73459444971553,
"formula_full": "Sr2 Li1 Pb1",
"formula_reduced": "Sr2LiPb",
"formula_anonymous": "ABC2",
"energy": -4.58924092,
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"energy_uncorrected": -4.58924092,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:36.552000Z",
"spacegroup": 71
},
{
"id": "mp-1016231",
"created_at": "2022-09-04T14:39:22.643847Z",
"structure_string": "Cs1 Mg3\n1.0\n3.752604 0.000000 0.000000\n0.000000 4.900757 0.000000\n0.000000 0.000000 8.434517\nCs Mg\n1 3\ndirect\n0.500000 0.000000 0.137593 Cs\n0.000000 0.000000 0.664189 Mg\n0.000000 0.500000 0.449180 Mg\n0.500000 0.500000 0.749038 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cs-Mg",
"density": 2.203339909102662,
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"volume": 155.11583104960297,
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"formula_full": "Cs1 Mg3",
"formula_reduced": "CsMg3",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.993000Z",
"spacegroup": 25
},
{
"id": "mp-1095904",
"created_at": "2022-09-04T14:42:44.022552Z",
"structure_string": "Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
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"density": 0.6329837799106102,
"density_atomic": 0.002268287705387668,
"volume": 1763.4447299163794,
"volume_molar": 265.4928096509155,
"formula_full": "Ba2 Hg1 Au1",
"formula_reduced": "Ba2HgAu",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.271000Z",
"spacegroup": 71
},
{
"id": "mp-21848",
"created_at": "2022-09-04T14:44:23.143000Z",
"structure_string": "F8\n1.0\n4.462100 0.000000 0.000000\n0.000000 4.462100 0.000000\n0.000000 0.000000 4.462100\nF\n8\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.500000 0.000000 F\n0.750000 0.500000 0.000000 F\n0.500000 0.000000 0.250000 F\n0.500000 0.000000 0.750000 F\n0.000000 0.750000 0.500000 F\n0.000000 0.250000 0.500000 F\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.09004758915409188,
"volume": 88.84191209506102,
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"formula_full": "F8",
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"formula_anonymous": "A",
"energy": -9.20466202,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.188000Z",
"spacegroup": 223
},
{
"id": "mp-1095650",
"created_at": "2022-09-04T14:39:14.336933Z",
"structure_string": "Cs4 Na8\n1.0\n3.862415 -6.689899 0.000000\n3.862415 6.689899 0.000000\n0.000000 0.000000 12.730871\nCs Na\n4 8\ndirect\n0.333333 0.666667 0.436665 Cs\n0.666667 0.333333 0.563335 Cs\n0.666667 0.333333 0.936665 Cs\n0.333333 0.666667 0.063335 Cs\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.832007 0.167993 0.250000 Na\n0.832007 0.664014 0.250000 Na\n0.335986 0.167993 0.250000 Na\n0.167993 0.832007 0.750000 Na\n0.167993 0.335986 0.750000 Na\n0.664014 0.832007 0.750000 Na\n",
"nsites": 12,
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"elements": [
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"Na"
],
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"density": 1.8059943263179732,
"density_atomic": 0.018239571728135534,
"volume": 657.9101844529247,
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"formula_full": "Cs4 Na8",
"formula_reduced": "CsNa2",
"formula_anonymous": "AB2",
"energy": -13.80936484,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:44.531000Z",
"spacegroup": 194
},
{
"id": "mp-1094712",
"created_at": "2022-09-04T14:41:56.415541Z",
"structure_string": "Sr2 Mg2\n1.0\n3.009909 -5.213316 0.000000\n3.009909 5.213316 0.000000\n0.000000 0.000000 7.102601\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n",
"nsites": 4,
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"Mg"
],
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"density": 1.6675980043831855,
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"volume": 222.90244356336913,
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"formula_full": "Sr2 Mg2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.547000Z",
"spacegroup": 194
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{
"id": "mp-1096082",
"created_at": "2022-09-04T14:40:57.794248Z",
"structure_string": "Li2 Hg1 Pb1\n1.0\n-5.612952 5.769522 8.125930\n5.612952 -5.769522 8.125930\n5.612952 5.769522 -8.125930\nLi Hg Pb\n2 1 1\ndirect\n0.000000 0.255138 0.255138 Li\n0.000000 0.744862 0.744862 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"formula_full": "Li2 Hg1 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:01.311000Z",
"spacegroup": 71
},
{
"id": "mp-1212183",
"created_at": "2022-09-04T14:40:06.210938Z",
"structure_string": "Li7 Al6\n1.0\n-6.634359 -11.491048 0.000000\n-7.718719 12.117103 0.000000\n0.000000 0.000000 -43.297062\nLi Al\n7 6\ndirect\n-0.000000 -0.000000 0.598455 Li\n-0.000000 -0.000000 0.401545 Li\n0.613898 0.611821 0.000000 Li\n0.386102 0.388179 -0.000000 Li\n0.002078 0.388179 0.000000 Li\n0.997922 0.611821 -0.000000 Li\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.803650 Al\n-0.000000 -0.000000 0.196350 Al\n0.804103 0.795587 0.000000 Al\n0.195897 0.204413 0.000000 Al\n0.008516 0.204413 -0.000000 Al\n0.991484 0.795587 -0.000000 Al\n",
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"density": 0.04774057734020273,
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"volume": 7320.90026209694,
"volume_molar": 339.1345528328359,
"formula_full": "Li7 Al6",
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"formula_anonymous": "A6B7",
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"updated_at": "2021-11-28T01:34:48.531000Z",
"spacegroup": 65
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{
"id": "mp-975461",
"created_at": "2022-09-04T14:41:04.670946Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.201044 2.201044 5.416847\n2.201044 -2.201044 5.416847\n2.201044 2.201044 -5.416847\nHg Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
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"volume": 104.969712849583,
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"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:12.832000Z",
"spacegroup": 139
}
]
}