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"results": [
{
"id": "mp-1096038",
"created_at": "2022-09-04T14:46:58.421046Z",
"structure_string": "Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 1228.719123835229,
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{
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"created_at": "2022-09-04T14:47:38.543073Z",
"structure_string": "Na1 Li1 Tl2\n1.0\n-6.181795 6.839335 9.206058\n6.181795 -6.839335 9.206058\n6.181795 6.839335 -9.206058\nNa Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.237326 0.237326 Tl\n0.000000 0.762674 0.762674 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Na-Tl",
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"volume": 1556.9052157716342,
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"formula_full": "Na1 Li1 Tl2",
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"total_magnetization": 9.3e-06,
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"updated_at": "2021-11-28T01:38:18.139000Z",
"spacegroup": 71
},
{
"id": "mp-1185207",
"created_at": "2022-09-04T14:42:07.418303Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n0.000000 3.502362 3.502362\n3.502362 0.000000 3.502362\n3.502362 3.502362 0.000000\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Li",
"density": 10.059663144273435,
"density_atomic": 0.046552916995638474,
"volume": 85.92372418627943,
"volume_molar": 12.93611904182978,
"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy": -4.25836963,
"energy_per_atom": -1.0645924075,
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"energy_uncorrected": -4.25836963,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.672000Z",
"spacegroup": 225
},
{
"id": "mp-974959",
"created_at": "2022-09-04T14:41:27.859575Z",
"structure_string": "Rb3 Li1\n1.0\n-3.283282 3.283282 6.460627\n3.283282 -3.283282 6.460627\n3.283282 3.283282 -6.460627\nRb Li\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 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Li"
],
"chemical_system": "Li-Rb",
"density": 1.5697198642323973,
"density_atomic": 0.014358496295258025,
"volume": 278.58070356023444,
"volume_molar": 41.94130524648913,
"formula_full": "Rb3 Li1",
"formula_reduced": "Rb3Li",
"formula_anonymous": "AB3",
"energy": -4.25982999,
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"energy_above_hull": null,
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"energy_uncorrected": -4.25982999,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0029794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.281000Z",
"spacegroup": 139
},
{
"id": "mp-975053",
"created_at": "2022-09-04T14:43:39.706517Z",
"structure_string": "Rb3 Ba1\n1.0\n-3.371459 3.371459 7.371348\n3.371459 -3.371459 7.371348\n3.371459 3.371459 -7.371348\nRb Ba\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 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ba-Rb",
"density": 1.9507668832250251,
"density_atomic": 0.011934859756612515,
"volume": 335.15266048968846,
"volume_molar": 50.45841243893486,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
"energy": -4.25989498,
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"energy_uncorrected": -4.25989498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.350000Z",
"spacegroup": 139
},
{
"id": "mp-1095972",
"created_at": "2022-09-04T14:47:22.444443Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 0.4811571208264284,
"density_atomic": 0.00258442786388782,
"volume": 1547.7313396484974,
"volume_molar": 233.0163996506655,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy": -4.26140228,
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"energy_uncorrected": -4.26140228,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9597516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
},
{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"Ba",
"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 0.49521458440537564,
"density_atomic": 0.002179757765260707,
"volume": 1835.066292112319,
"volume_molar": 276.2756878757916,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
"energy": -4.2695968,
"energy_per_atom": -1.0673992,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -4.2695968,
"band_gap": 0.1117999999999999,
"is_gap_direct": true,
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"total_magnetization": 1.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.681000Z",
"spacegroup": 71
},
{
"id": "mp-974938",
"created_at": "2022-09-04T14:47:18.362973Z",
"structure_string": "Rb3 Li1\n1.0\n6.545835 0.000000 0.000000\n0.000000 6.545835 0.000000\n0.000000 0.000000 6.545835\nRb Li\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
"Rb",
"Li"
],
"chemical_system": "Li-Rb",
"density": 1.5591145457043567,
"density_atomic": 0.01426148763131443,
"volume": 280.4756490632201,
"volume_molar": 42.226595960276846,
"formula_full": "Rb3 Li1",
"formula_reduced": "Rb3Li",
"formula_anonymous": "AB3",
"energy": -4.26992911,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.387000Z",
"spacegroup": 221
},
{
"id": "mp-1097380",
"created_at": "2022-09-04T14:47:05.734485Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-6.266142 6.387362 8.858483\n6.266142 -6.387362 8.858483\n6.266142 6.387362 -8.858483\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265457 0.000000 0.265457 Ca\n0.734543 0.000000 0.734543 Ca\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Li",
"density": 0.22827854038387277,
"density_atomic": 0.0028204530924577347,
"volume": 1418.2118506762372,
"volume_molar": 213.51678480681005,
"formula_full": "Li1 Ca2 Ag1",
"formula_reduced": "LiCa2Ag",
"formula_anonymous": "ABC2",
"energy": -4.27229858,
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"updated_at": "2021-11-28T01:37:52.415000Z",
"spacegroup": 71
},
{
"id": "mp-1096445",
"created_at": "2022-09-04T14:39:41.032459Z",
"structure_string": "Cs1 Rb2 Bi1\n1.0\n-7.756910 8.343144 11.143662\n7.756910 -8.343144 11.143662\n7.756910 8.343144 -11.143662\nCs Rb Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.285202 0.000000 0.285202 Rb\n0.714798 0.000000 0.714798 Rb\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Cs-Rb",
"density": 0.29519491160805855,
"density_atomic": 0.0013866076026012074,
"volume": 2884.7382579586306,
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"formula_full": "Cs1 Rb2 Bi1",
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"updated_at": "2021-11-28T01:34:42.924000Z",
"spacegroup": 71
},
{
"id": "mp-974950",
"created_at": "2022-09-04T14:46:35.200597Z",
"structure_string": "Rb3 Li1\n1.0\n0.000000 5.149709 5.149709\n5.149709 0.000000 5.149709\n5.149709 5.149709 0.000000\nRb Li\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"density": 1.6010139776639574,
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"volume": 273.13544433159353,
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"formula_full": "Rb3 Li1",
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"updated_at": "2021-11-28T01:37:38.668000Z",
"spacegroup": 225
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{
"id": "mp-1097452",
"created_at": "2022-09-04T14:42:49.357573Z",
"structure_string": "Ca1 Hg2 Pd1\n1.0\n-5.862039 6.318498 8.920192\n5.862039 -6.318498 8.920192\n5.862039 6.318498 -8.920192\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273588 0.273588 Hg\n0.000000 0.726412 0.726412 Hg\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"density": 0.6881413321286247,
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"volume": 1321.5900171323606,
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"formula_full": "Ca1 Hg2 Pd1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:51.026000Z",
"spacegroup": 71
}
]
}