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{
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"results": [
{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
"nsites": 12,
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],
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"volume": 4957.696116082764,
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"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
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"spacegroup": 62
},
{
"id": "mp-1095876",
"created_at": "2022-09-04T14:39:58.024201Z",
"structure_string": "Ca1 Mg1 Zn2\n1.0\n-6.274859 6.395490 8.846320\n6.274859 -6.395490 8.846320\n6.274859 6.395490 -8.846320\nCa Mg Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.237021 0.000000 0.237021 Zn\n0.762979 0.000000 0.762979 Zn\n",
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"elements": [
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"density": 0.22826046811260883,
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"volume": 1420.0395233548616,
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"formula_full": "Ca1 Mg1 Zn2",
"formula_reduced": "CaMgZn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:41.232000Z",
"spacegroup": 71
},
{
"id": "mp-569289",
"created_at": "2022-09-04T14:40:37.238752Z",
"structure_string": "Hg1\n1.0\n-2.069695 2.069695 1.802258\n2.069695 -2.069695 1.802258\n2.069695 2.069695 -1.802258\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
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"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.7862062769837,
"density_atomic": 0.03238249787568613,
"volume": 30.880879042713797,
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"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.2961163,
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"energy_uncorrected": -0.2961163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.248000Z",
"spacegroup": 139
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
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],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
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"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
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"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
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"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1184657",
"created_at": "2022-09-04T14:42:53.907978Z",
"structure_string": "Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Hg",
"density": 10.634970792149755,
"density_atomic": 0.031928456608478595,
"volume": 250.560185169602,
"volume_molar": 18.861358799287597,
"formula_full": "Hg8",
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"energy_uncorrected": -2.38875985,
"band_gap": 0.5904,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.511000Z",
"spacegroup": 223
},
{
"id": "mp-1093736",
"created_at": "2022-09-04T14:39:49.464646Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-6.659173 7.547183 9.414880\n6.659173 -7.547183 9.414880\n6.659173 7.547183 -9.414880\nSr Mg Cd\n2 1 1\ndirect\n0.746927 0.000000 0.746927 Sr\n0.253073 0.000000 0.253073 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 0.2736922386555808,
"density_atomic": 0.002113391871511377,
"volume": 1892.6920529600734,
"volume_molar": 284.95144895647337,
"formula_full": "Sr2 Mg1 Cd1",
"formula_reduced": "Sr2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.19464621,
"energy_per_atom": -0.2986615525,
"energy_above_hull": null,
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"energy_uncorrected": -1.19464621,
"band_gap": 0.3408000000000002,
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"is_magnetic": false,
"total_magnetization": 1.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.983000Z",
"spacegroup": 71
},
{
"id": "mp-10861",
"created_at": "2022-09-04T14:40:26.888501Z",
"structure_string": "Hg3\n1.0\n2.779956 -4.815024 0.000000\n2.779956 4.815024 0.000000\n0.000000 0.000000 3.290636\nHg\n3\ndirect\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
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"chemical_system": "Hg",
"density": 11.343143125408949,
"density_atomic": 0.03405454139570542,
"volume": 88.0939773976321,
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"formula_full": "Hg3",
"formula_reduced": "Hg",
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"energy": -0.90234364,
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"updated_at": "2021-11-28T01:34:59.702000Z",
"spacegroup": 191
},
{
"id": "mp-864900",
"created_at": "2022-09-04T14:43:21.116226Z",
"structure_string": "Hg29\n1.0\n-6.075040 6.075040 6.075040\n6.075040 -6.075040 6.075040\n6.075040 6.075040 -6.075040\nHg\n29\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.345721 Hg\n0.000000 0.308745 0.587768 Hg\n0.000000 0.345721 0.000000 Hg\n0.000000 0.587768 0.308745 Hg\n0.000000 0.621251 0.807056 Hg\n0.000000 0.807056 0.621251 Hg\n0.814195 0.192944 0.192944 Hg\n0.807056 0.000000 0.621251 Hg\n0.807056 0.621251 0.000000 Hg\n0.720977 0.412232 0.412232 Hg\n0.691255 0.691255 0.279023 Hg\n0.691255 0.279023 0.691255 Hg\n0.654279 0.654279 0.654279 Hg\n0.621251 0.807056 0.000000 Hg\n0.621251 0.000000 0.807056 Hg\n0.587768 0.000000 0.308745 Hg\n0.587768 0.308745 0.000000 Hg\n0.412232 0.412232 0.720977 Hg\n0.412232 0.720977 0.412232 Hg\n0.378749 0.378749 0.185805 Hg\n0.378749 0.185805 0.378749 Hg\n0.345721 0.000000 0.000000 Hg\n0.308745 0.587768 0.000000 Hg\n0.308745 0.000000 0.587768 Hg\n0.279023 0.691255 0.691255 Hg\n0.192944 0.192944 0.814195 Hg\n0.192944 0.814195 0.192944 Hg\n0.185805 0.378749 0.378749 Hg\n",
"nsites": 29,
"nelements": 1,
"elements": [
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"density": 10.770824684026657,
"density_atomic": 0.03233631904427263,
"volume": 896.8244023166404,
"volume_molar": 18.62345788880579,
"formula_full": "Hg29",
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"energy": -8.76355737,
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"updated_at": "2021-11-28T01:36:15.353000Z",
"spacegroup": 217
},
{
"id": "mp-569360",
"created_at": "2022-09-04T14:44:16.189188Z",
"structure_string": "Hg3\n1.0\n1.816347 3.070770 0.000000\n-1.816347 3.070770 0.000000\n0.000000 2.508967 8.445120\nHg\n3\ndirect\n0.235213 0.235213 0.336313 Hg\n0.764787 0.764787 0.663687 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"volume": 94.20673030586961,
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"formula_full": "Hg3",
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"energy": -0.90721715,
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"updated_at": "2021-11-28T01:36:39.250000Z",
"spacegroup": 12
},
{
"id": "mp-1017981",
"created_at": "2022-09-04T14:43:15.556631Z",
"structure_string": "Hg1\n1.0\n-1.965509 1.965509 1.965509\n1.965509 -1.965509 1.965509\n1.965509 1.965509 -1.965509\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"volume": 30.372818971957464,
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"formula_full": "Hg1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.046000Z",
"spacegroup": 229
},
{
"id": "mp-975272",
"created_at": "2022-09-04T14:41:45.953558Z",
"structure_string": "Hg2\n1.0\n1.775150 -3.139427 0.000000\n1.775150 3.139427 0.000000\n0.000000 0.000000 5.644127\nHg\n2\ndirect\n0.849544 0.150456 0.750000 Hg\n0.150456 0.849544 0.250000 Hg\n",
"nsites": 2,
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"volume": 62.90891846547152,
"volume_molar": 18.942318102921636,
"formula_full": "Hg2",
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"energy": -0.60525143,
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"updated_at": "2021-11-28T01:35:23.403000Z",
"spacegroup": 63
},
{
"id": "mp-1096148",
"created_at": "2022-09-04T14:47:28.760524Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 0.49827578167068304,
"density_atomic": 0.0022200464220539637,
"volume": 1801.7641254092523,
"volume_molar": 271.2619294883202,
"formula_full": "Ba2 Zn1 Hg1",
"formula_reduced": "Ba2ZnHg",
"formula_anonymous": "ABC2",
"energy": -1.21157118,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.681000Z",
"spacegroup": 71
}
]
}