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{
"id": "mp-1185041",
"created_at": "2022-09-04T14:46:25.564294Z",
"structure_string": "K1 Hg3\n1.0\n5.069356 0.000000 0.000000\n0.000000 5.069356 0.000000\n0.000000 0.000000 5.069356\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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{
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"spacegroup": 71
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{
"id": "mp-1094298",
"created_at": "2022-09-04T14:41:52.714085Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.499514 3.499514\n3.499514 0.000000 3.499514\n3.499514 3.499514 0.000000\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"density": 2.1683181197218424,
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"volume": 85.71428395988642,
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"formula_full": "Sr1 Mg1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.456000Z",
"spacegroup": 225
},
{
"id": "mp-1097383",
"created_at": "2022-09-04T14:47:12.686029Z",
"structure_string": "Sr1 Sn1 Hg2\n1.0\n-6.172144 6.561467 9.255419\n6.172144 -6.561467 9.255419\n6.172144 6.561467 -9.255419\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.266717 0.266717 Hg\n0.000000 0.733283 0.733283 Hg\n",
"nsites": 4,
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"elements": [
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"Sn",
"Hg"
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"density": 0.6728363621384672,
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"volume": 1499.3156510506187,
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"formula_full": "Sr1 Sn1 Hg2",
"formula_reduced": "SrSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.84186983,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.782000Z",
"spacegroup": 71
},
{
"id": "mp-1097500",
"created_at": "2022-09-04T14:45:13.275230Z",
"structure_string": "Li1 Ga1 Hg2\n1.0\n-5.539625 5.540474 7.790277\n5.539625 -5.540474 7.790277\n5.539625 5.540474 -7.790277\nLi Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n0.756542 0.000000 0.756542 Hg\n0.243458 0.000000 0.243458 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
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"chemical_system": "Ga-Hg-Li",
"density": 0.8296502633732908,
"density_atomic": 0.004182344588888117,
"volume": 956.4013473752066,
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"formula_full": "Li1 Ga1 Hg2",
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"energy": -2.84140551,
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"updated_at": "2021-11-28T01:36:59.652000Z",
"spacegroup": 71
},
{
"id": "mp-684673",
"created_at": "2022-09-04T14:43:07.186362Z",
"structure_string": "S1\n1.0\n0.000000 1.993812 1.993812\n1.993812 0.000000 1.993812\n1.993812 1.993812 0.000000\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
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"elements": [
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"density": 3.3589050667306677,
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"volume": 15.851947022234326,
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"formula_full": "S1",
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"energy": -2.83516414,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:58.117000Z",
"spacegroup": 225
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{
"id": "mp-1096500",
"created_at": "2022-09-04T14:43:24.469524Z",
"structure_string": "Tl1 In1 Hg2\n1.0\n-6.140723 6.281131 8.838923\n6.140723 -6.281131 8.838923\n6.140723 6.281131 -8.838923\nTl In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.246436 0.246436 Hg\n0.000000 0.753564 0.753564 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
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"chemical_system": "Hg-In-Tl",
"density": 0.8771923341176318,
"density_atomic": 0.002933210904544509,
"volume": 1363.6932802215767,
"volume_molar": 205.30882217401148,
"formula_full": "Tl1 In1 Hg2",
"formula_reduced": "TlInHg2",
"formula_anonymous": "ABC2",
"energy": -2.83333866,
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"energy_uncorrected": -2.83333866,
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"updated_at": "2021-11-28T01:36:16.254000Z",
"spacegroup": 71
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{
"id": "mp-124",
"created_at": "2022-09-04T14:46:26.019249Z",
"structure_string": "Ag1\n1.0\n0.000000 2.080274 2.080274\n2.080274 0.000000 2.080274\n2.080274 2.080274 0.000000\nAg\n1\ndirect\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Ag",
"density": 9.948346655461544,
"density_atomic": 0.05554032041803643,
"volume": 18.004937538589626,
"volume_molar": 10.842826823239468,
"formula_full": "Ag1",
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"formula_anonymous": "A",
"energy": -2.82894684,
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"energy_above_hull": null,
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"energy_uncorrected": -2.82894684,
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"updated_at": "2021-11-28T01:37:34.184000Z",
"spacegroup": 225
},
{
"id": "mp-1096692",
"created_at": "2022-09-04T14:46:55.322345Z",
"structure_string": "Sr2 Zn1 Ga1\n1.0\n-6.302548 6.510251 8.885147\n6.302548 -6.510251 8.885147\n6.302548 6.510251 -8.885147\nSr Zn Ga\n2 1 1\ndirect\n0.732858 0.000000 0.732858 Sr\n0.267142 0.000000 0.267142 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
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"chemical_system": "Ga-Sr-Zn",
"density": 0.3534216325481737,
"density_atomic": 0.0027429727160563624,
"volume": 1458.2718874983545,
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"formula_full": "Sr2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:50.268000Z",
"spacegroup": 71
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{
"id": "mp-1097349",
"created_at": "2022-09-04T14:40:13.747385Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-6.222020 6.482761 9.125378\n6.222020 -6.482761 9.125378\n6.222020 6.482761 -9.125378\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.263185 0.263185 Hg\n0.000000 0.736815 0.736815 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.7849754400723382,
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"volume": 1472.320191631849,
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"formula_full": "Sr1 Hg2 Pb1",
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"updated_at": "2021-11-28T01:34:55.963000Z",
"spacegroup": 71
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{
"id": "mp-1097202",
"created_at": "2022-09-04T14:48:09.877783Z",
"structure_string": "Ca2 Tl1 Zn1\n1.0\n-6.193555 6.719364 9.495983\n6.193555 -6.719364 9.495983\n6.193555 6.719364 -9.495983\nCa Tl Zn\n2 1 1\ndirect\n0.000000 0.254856 0.254856 Ca\n0.000000 0.745144 0.745144 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"density_atomic": 0.00253041588196662,
"volume": 1580.767821015742,
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"formula_full": "Ca2 Tl1 Zn1",
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"updated_at": "2021-11-28T01:38:25.812000Z",
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{
"id": "mp-1093671",
"created_at": "2022-09-04T14:39:48.041484Z",
"structure_string": "Na1 Li2 Hg1\n1.0\n-5.881280 5.955124 8.312081\n5.881280 -5.955124 8.312081\n5.881280 5.955124 -8.312081\nNa Li Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.262751 0.000000 0.262751 Li\n0.737249 0.000000 0.737249 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.3386182599632298,
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"volume": 1164.4810435096263,
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"formula_full": "Na1 Li2 Hg1",
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"updated_at": "2021-11-28T01:34:24.080000Z",
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}
]
}