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{
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{
"id": "mp-1096603",
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"structure_string": "Ba2 Li1 Hg1\n1.0\n-6.795938 7.135771 9.598488\n6.795938 -7.135771 9.598488\n6.795938 7.135771 -9.598488\nBa Li Hg\n2 1 1\ndirect\n0.262365 0.000000 0.262365 Ba\n0.737635 0.000000 0.737635 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n",
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{
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"spacegroup": 71
},
{
"id": "mp-1093582",
"created_at": "2022-09-04T14:48:20.475609Z",
"structure_string": "Ba2 Cd1 Ge1\n1.0\n-6.775685 6.975361 9.852347\n6.775685 -6.975361 9.852347\n6.775685 6.975361 -9.852347\nBa Cd Ge\n2 1 1\ndirect\n0.000000 0.216915 0.216915 Ba\n0.000000 0.783085 0.783085 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"density": 0.4098347106356397,
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"volume": 1862.5999501784768,
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"formula_full": "Ba2 Cd1 Ge1",
"formula_reduced": "Ba2CdGe",
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"updated_at": "2021-11-28T01:39:07.151000Z",
"spacegroup": 71
},
{
"id": "mp-1093694",
"created_at": "2022-09-04T14:46:35.391886Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n-6.844492 6.943532 9.799033\n6.844492 -6.943532 9.799033\n6.844492 6.943532 -9.799033\nBa Cd Sn\n2 1 1\ndirect\n0.000000 0.268768 0.268768 Ba\n0.000000 0.731232 0.731232 Ba\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Cd-Sn",
"density": 0.4508598716962968,
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"volume": 1862.7941831455594,
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"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
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"updated_at": "2021-11-28T01:37:43.599000Z",
"spacegroup": 71
},
{
"id": "mp-1095942",
"created_at": "2022-09-04T14:40:17.124441Z",
"structure_string": "Sr2 Mg1 Tl1\n1.0\n-6.910624 6.935824 9.719393\n6.910624 -6.935824 9.719393\n6.910624 6.935824 -9.719393\nSr Mg Tl\n2 1 1\ndirect\n0.000000 0.268139 0.268139 Sr\n0.000000 0.731861 0.731861 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"volume": 1863.435919200847,
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"formula_full": "Sr2 Mg1 Tl1",
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"updated_at": "2021-11-28T01:34:51.767000Z",
"spacegroup": 71
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{
"id": "mp-1211109",
"created_at": "2022-09-04T14:45:55.091453Z",
"structure_string": "Na2 Cu1 Te2\n1.0\n9.440653 0.000000 0.000000\n0.000000 9.440653 0.000000\n0.000000 0.000000 26.150161\nNa Cu Te\n2 1 2\ndirect\n0.500000 0.500000 0.668776 Na\n0.500000 0.500000 0.331224 Na\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.225399 Te\n0.500000 0.500000 0.774601 Te\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Cu-Na-Te",
"density": 0.25985844458773777,
"density_atomic": 0.002145317459398825,
"volume": 2330.6573943611747,
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"formula_full": "Na2 Cu1 Te2",
"formula_reduced": "Na2CuTe2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:11.115000Z",
"spacegroup": 123
},
{
"id": "mp-1097615",
"created_at": "2022-09-04T14:42:43.651075Z",
"structure_string": "Ba2 Mg1 Hg1\n1.0\n-6.802746 7.104682 9.645393\n6.802746 -7.104682 9.645393\n6.802746 7.104682 -9.645393\nBa Mg Hg\n2 1 1\ndirect\n0.264218 0.000000 0.264218 Ba\n0.735782 0.000000 0.735782 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
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"density": 0.4448548940688712,
"density_atomic": 0.0021451179289987002,
"volume": 1864.699346327837,
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"formula_full": "Ba2 Mg1 Hg1",
"formula_reduced": "Ba2MgHg",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096391",
"created_at": "2022-09-04T14:44:03.808322Z",
"structure_string": "Ba2 Tl1 Pd1\n1.0\n-6.472407 7.121714 10.121526\n6.472407 -7.121714 10.121526\n6.472407 7.121714 -10.121526\nBa Tl Pd\n2 1 1\ndirect\n0.000000 0.218368 0.218368 Ba\n0.000000 0.781632 0.781632 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5209403395802915,
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"volume": 1866.1920465967612,
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"formula_full": "Ba2 Tl1 Pd1",
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"updated_at": "2021-11-28T01:36:24.387000Z",
"spacegroup": 71
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{
"id": "mp-1095810",
"created_at": "2022-09-04T14:43:12.120054Z",
"structure_string": "Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.36181136167932293,
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"volume": 1866.7627227329717,
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"formula_full": "Sr2 Mg1 Pb1",
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"updated_at": "2021-11-28T01:36:02.562000Z",
"spacegroup": 71
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{
"id": "mp-1097243",
"created_at": "2022-09-04T14:47:01.446076Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-6.776174 7.248446 9.558704\n6.776174 -7.248446 9.558704\n6.776174 7.248446 -9.558704\nK Ba Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ba\n0.752628 0.000000 0.752628 Hg\n0.247372 0.000000 0.247372 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 1877.9691847559052,
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"formula_full": "K1 Ba1 Hg2",
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"spacegroup": 71
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{
"id": "mp-1095859",
"created_at": "2022-09-04T14:41:51.930607Z",
"structure_string": "Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
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"volume": 1878.1931841152,
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"updated_at": "2021-11-28T01:35:26.120000Z",
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{
"id": "mp-1097112",
"created_at": "2022-09-04T14:48:12.771373Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-6.315357 7.230269 10.286425\n6.315357 -7.230269 10.286425\n6.315357 7.230269 -10.286425\nBa Na Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.243371 0.243371 Tl\n0.000000 0.756629 0.756629 Tl\n",
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"volume": 1878.7838416347613,
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"formula_full": "Ba1 Na1 Tl2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:42.763000Z",
"spacegroup": 71
}
]
}