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{
"id": "mp-10679",
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{
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"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
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{
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"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.924116 3.924116\n3.924116 0.000000 3.924116\n3.924116 3.924116 0.000000\nSr Mg\n1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n",
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"spacegroup": 216
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{
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"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
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"elements": [
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"density": 0.42149548918761226,
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"formula_full": "P1",
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"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
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{
"id": "mp-1096727",
"created_at": "2022-09-04T14:40:26.280361Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-6.975387 7.610045 9.866200\n6.975387 -7.610045 9.866200\n6.975387 7.610045 -9.866200\nBa Li Mg\n2 1 1\ndirect\n0.749958 0.000000 0.749958 Ba\n0.250042 0.000000 0.250042 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Li-Mg",
"density": 0.24247286038432367,
"density_atomic": 0.00190938959950159,
"volume": 2094.910332099915,
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"formula_full": "Ba2 Li1 Mg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:05.849000Z",
"spacegroup": 71
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{
"id": "mp-1095776",
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"structure_string": "Li1 Cd2 Hg1\n1.0\n-5.825904 5.915522 8.365056\n5.825904 -5.915522 8.365056\n5.825904 5.915522 -8.365056\nLi Cd Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241485 0.241485 Cd\n0.000000 0.758515 0.758515 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Li",
"density": 0.6225902746649679,
"density_atomic": 0.0034687639693816727,
"volume": 1153.1485091829477,
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"formula_full": "Li1 Cd2 Hg1",
"formula_reduced": "LiCd2Hg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:25.840000Z",
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{
"id": "mp-1097272",
"created_at": "2022-09-04T14:39:28.590871Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-6.712454 7.375467 9.493325\n6.712454 -7.375467 9.493325\n6.712454 7.375467 -9.493325\nSr Li Mg\n2 1 1\ndirect\n0.753374 0.000000 0.753374 Sr\n0.246626 0.000000 0.246626 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
"chemical_system": "Li-Mg-Sr",
"density": 0.18238558969904387,
"density_atomic": 0.002127702012035324,
"volume": 1879.9625029134916,
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"formula_full": "Sr2 Li1 Mg1",
"formula_reduced": "Sr2LiMg",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:32.555000Z",
"spacegroup": 71
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{
"id": "mp-1096612",
"created_at": "2022-09-04T14:48:16.236432Z",
"structure_string": "Mg2 Tl1 Cd1\n1.0\n-6.240350 6.504374 8.823433\n6.240350 -6.504374 8.823433\n6.240350 6.504374 -8.823433\nMg Tl Cd\n2 1 1\ndirect\n0.248040 0.000000 0.248040 Mg\n0.751960 0.000000 0.751960 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 0.4235558788384849,
"density_atomic": 0.0027922092027623468,
"volume": 1432.5574158421869,
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"formula_full": "Mg2 Tl1 Cd1",
"formula_reduced": "Mg2TlCd",
"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
"id": "mp-1096239",
"created_at": "2022-09-04T14:39:11.582714Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-6.295745 6.632062 8.891611\n6.295745 -6.632062 8.891611\n6.295745 6.632062 -8.891611\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n0.746709 0.000000 0.746709 Hg\n0.253291 0.000000 0.253291 Hg\n",
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"density": 0.721945224803408,
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"volume": 1485.033164326776,
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"formula_full": "Ca1 Tl1 Hg2",
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"updated_at": "2021-11-28T01:34:34.997000Z",
"spacegroup": 71
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{
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"created_at": "2022-09-04T14:40:20.308853Z",
"structure_string": "Li1 Zn1 Hg2\n1.0\n-5.536487 5.569827 7.820869\n5.536487 -5.569827 7.820869\n5.536487 5.569827 -7.820869\nLi Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.245556 0.000000 0.245556 Hg\n0.754444 0.000000 0.754444 Hg\n",
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"volume": 964.6971454151162,
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"formula_full": "Li1 Zn1 Hg2",
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{
"id": "mp-639736",
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"structure_string": "Rb2\n1.0\n-2.378988 2.378988 8.488669\n2.378988 -2.378988 8.488669\n2.378988 2.378988 -8.488669\nRb\n2\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
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"formula_full": "Rb2",
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{
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"structure_string": "Cs1 Rb1\n1.0\n3.006029 -4.211392 0.000000\n3.006029 4.211392 0.000000\n0.000000 0.000000 8.097688\nCs Rb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Rb\n",
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]
}