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{
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"results": [
{
"id": "mp-866104",
"created_at": "2022-09-04T14:39:36.620697Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n0.000000 3.681838 3.681838\n3.681838 0.000000 3.681838\n3.681838 3.681838 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"volume": 99.82148419124594,
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{
"id": "mp-1186875",
"created_at": "2022-09-04T14:40:56.444883Z",
"structure_string": "Rb3 Tb1\n1.0\n-3.119746 3.119746 6.805386\n3.119746 -3.119746 6.805386\n3.119746 3.119746 -6.805386\nRb Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tb\n",
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"updated_at": "2021-11-28T01:34:59.652000Z",
"spacegroup": 139
},
{
"id": "mp-982008",
"created_at": "2022-09-04T14:40:12.511964Z",
"structure_string": "Hg3 F1\n1.0\n-2.252410 2.252410 4.175722\n2.252410 -2.252410 4.175722\n2.252410 2.252410 -4.175722\nHg F\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 F\n",
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"chemical_system": "F-Hg",
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"density_atomic": 0.04720342687804915,
"volume": 84.73961033240379,
"volume_molar": 12.757846534232149,
"formula_full": "Hg3 F1",
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"energy": -5.01985818,
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"energy_uncorrected": -4.55785818,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.731000Z",
"spacegroup": 139
},
{
"id": "mp-1096722",
"created_at": "2022-09-04T14:40:29.342140Z",
"structure_string": "Li2 Zn1 Cu1\n1.0\n-5.099185 5.217510 7.203798\n5.099185 -5.217510 7.203798\n5.099185 5.217510 -7.203798\nLi Zn Cu\n2 1 1\ndirect\n0.235271 0.000000 0.235271 Li\n0.764729 0.000000 0.764729 Li\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.3093885529380207,
"density_atomic": 0.005217643652469171,
"volume": 766.6295873055763,
"volume_molar": 115.41878213837222,
"formula_full": "Li2 Zn1 Cu1",
"formula_reduced": "Li2ZnCu",
"formula_anonymous": "ABC2",
"energy": -5.01780661,
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"total_magnetization": 1.0001085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.328000Z",
"spacegroup": 71
},
{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ca-Zn",
"density": 2.264361564943383,
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"volume": 77.35747118760779,
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"formula_full": "Ca1 Zn1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 216
},
{
"id": "mp-1017345",
"created_at": "2022-09-04T14:45:06.743135Z",
"structure_string": "Rb2 Na2 Mg12\n1.0\n5.436357 0.000000 0.000000\n0.000000 7.156013 0.000000\n0.000000 0.000000 12.048076\nRb Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.172885 Rb\n0.500000 0.000000 0.672885 Rb\n0.000000 0.500000 0.340626 Na\n0.000000 0.000000 0.840626 Na\n0.000000 0.220992 0.072843 Mg\n0.000000 0.779008 0.072843 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.260759 0.922733 Mg\n0.500000 0.739241 0.922733 Mg\n0.500000 0.500000 0.662619 Mg\n0.000000 0.720992 0.572843 Mg\n0.000000 0.279008 0.572843 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.760759 0.422733 Mg\n0.500000 0.239241 0.422733 Mg\n0.500000 0.000000 0.162619 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Mg"
],
"chemical_system": "Mg-Na-Rb",
"density": 1.8018035390192464,
"density_atomic": 0.034136830418609855,
"volume": 468.70197976193845,
"volume_molar": 17.641183103856655,
"formula_full": "Rb2 Na2 Mg12",
"formula_reduced": "RbNaMg6",
"formula_anonymous": "ABC6",
"energy": -20.06077405,
"energy_per_atom": -1.253798378125,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -20.06077405,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.961000Z",
"spacegroup": 38
},
{
"id": "mp-11472",
"created_at": "2022-09-04T14:46:16.947534Z",
"structure_string": "Sr1 Hg2\n1.0\n2.545483 -4.408907 0.000000\n2.545483 4.408907 0.000000\n0.000000 0.000000 4.043565\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 8.943030898776703,
"density_atomic": 0.033054126991862214,
"volume": 90.76022491045028,
"volume_molar": 18.219028327333,
"formula_full": "Sr1 Hg2",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy": -3.76131893,
"energy_per_atom": -1.2537729766666665,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0001462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.125000Z",
"spacegroup": 191
},
{
"id": "mp-1022659",
"created_at": "2022-09-04T14:42:57.063922Z",
"structure_string": "Rb2 Mg12 Zn2\n1.0\n5.217537 0.000000 0.000000\n0.000000 7.041058 0.000000\n0.000000 0.000000 11.736735\nRb Mg Zn\n2 12 2\ndirect\n0.500000 0.000000 0.669903 Rb\n0.500000 0.500000 0.169903 Rb\n0.000000 0.718694 0.569225 Mg\n0.000000 0.281306 0.569225 Mg\n0.000000 0.000000 0.334381 Mg\n0.500000 0.741012 0.417485 Mg\n0.500000 0.258988 0.417485 Mg\n0.500000 0.000000 0.162948 Mg\n0.000000 0.218694 0.069225 Mg\n0.000000 0.781306 0.069225 Mg\n0.000000 0.500000 0.834381 Mg\n0.500000 0.241012 0.917485 Mg\n0.500000 0.758988 0.917485 Mg\n0.500000 0.500000 0.662948 Mg\n0.000000 0.000000 0.859348 Zn\n0.000000 0.500000 0.359348 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Mg-Rb-Zn",
"density": 2.2853663821978967,
"density_atomic": 0.03710814324855062,
"volume": 431.17220640310353,
"volume_molar": 16.22862324224539,
"formula_full": "Rb2 Mg12 Zn2",
"formula_reduced": "RbMg6Zn",
"formula_anonymous": "ABC6",
"energy": -20.05818778,
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"updated_at": "2021-11-28T01:35:58.104000Z",
"spacegroup": 38
},
{
"id": "mp-1186031",
"created_at": "2022-09-04T14:41:55.649478Z",
"structure_string": "Na3 Cd1\n1.0\n-2.423068 2.423068 5.182185\n2.423068 -2.423068 5.182185\n2.423068 2.423068 -5.182185\nNa Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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],
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"density": 2.4747716002241686,
"density_atomic": 0.03286668350722476,
"volume": 121.70379159554443,
"volume_molar": 18.322934100351837,
"formula_full": "Na3 Cd1",
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.805000Z",
"spacegroup": 139
},
{
"id": "mp-1039443",
"created_at": "2022-09-04T14:48:22.839849Z",
"structure_string": "Mg3 Cd3\n1.0\n1.561932 -2.705345 0.000000\n1.561932 2.705345 0.000000\n0.000000 0.000000 16.093345\nMg Cd\n3 3\ndirect\n0.666667 0.333333 0.667887 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.332113 Mg\n0.666667 0.333333 0.000000 Cd\n0.000000 0.000000 0.831977 Cd\n0.000000 0.000000 0.168023 Cd\n",
"nsites": 6,
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"elements": [
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"density": 5.007588106881167,
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"volume": 136.00694836541572,
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"formula_full": "Mg3 Cd3",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -7.52059079,
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"updated_at": "2021-11-28T01:39:11.113000Z",
"spacegroup": 187
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{
"id": "mp-975057",
"created_at": "2022-09-04T14:41:52.479792Z",
"structure_string": "Rb3 Dy1\n1.0\n6.394361 0.000000 0.000000\n0.000000 6.394361 0.000000\n0.000000 0.000000 6.394361\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"density": 2.6605506384596986,
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"volume": 261.45169002845245,
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"formula_full": "Rb3 Dy1",
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"energy": -5.01311319,
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"updated_at": "2021-11-28T01:35:34.916000Z",
"spacegroup": 221
},
{
"id": "mp-973778",
"created_at": "2022-09-04T14:46:10.165334Z",
"structure_string": "Hg3 F1\n1.0\n0.000000 3.512298 3.512298\n3.512298 0.000000 3.512298\n3.512298 3.512298 0.000000\nHg F\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 F\n",
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"elements": [
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"volume": 86.65708277680281,
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"formula_full": "Hg3 F1",
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"formula_anonymous": "AB3",
"energy": -5.01241584,
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"energy_above_hull": null,
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"total_magnetization": 6.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.722000Z",
"spacegroup": 225
}
]
}