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{
"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",
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"density": 0.4448548940688712,
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"volume": 1864.699346327837,
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{
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"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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"volume": 2330.6573943611747,
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"formula_full": "Na2 Cu1 Te2",
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"updated_at": "2021-11-28T01:37:11.115000Z",
"spacegroup": 123
},
{
"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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"chemical_system": "Mg-Sr-Tl",
"density": 0.3599472970033645,
"density_atomic": 0.0021465723391848324,
"volume": 1863.435919200847,
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"formula_full": "Sr2 Mg1 Tl1",
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"formula_anonymous": "ABC2",
"energy": -2.43945031,
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"energy_uncorrected": -2.43945031,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9997279,
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"updated_at": "2021-11-28T01:34:51.767000Z",
"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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"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 0.4508598716962968,
"density_atomic": 0.002147311837341849,
"volume": 1862.7941831455594,
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"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy": -4.7899108,
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"energy_uncorrected": -4.7899108,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:43.599000Z",
"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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"elements": [
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],
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"density": 0.4098347106356397,
"density_atomic": 0.0021475357602241505,
"volume": 1862.5999501784768,
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"formula_full": "Ba2 Cd1 Ge1",
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"energy_uncorrected": -5.11463111,
"band_gap": 0.0671000000000001,
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"updated_at": "2021-11-28T01:39:07.151000Z",
"spacegroup": 71
},
{
"id": "mp-1097285",
"created_at": "2022-09-04T14:39:19.955981Z",
"structure_string": "Cs2 Ag1 Au1\n1.0\n-6.847659 6.934044 9.804283\n6.847659 -6.934044 9.804283\n6.847659 6.934044 -9.804283\nCs Ag Au\n2 1 1\ndirect\n0.000000 0.255242 0.255242 Cs\n0.000000 0.744758 0.744758 Cs\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
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"density": 0.5088749556273646,
"density_atomic": 0.0021481046885357367,
"volume": 1862.1066381669762,
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"formula_full": "Cs2 Ag1 Au1",
"formula_reduced": "Cs2AgAu",
"formula_anonymous": "ABC2",
"energy": -6.82164255,
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"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.510000Z",
"spacegroup": 71
},
{
"id": "mp-1096603",
"created_at": "2022-09-04T14:42:01.724522Z",
"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",
"nsites": 4,
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"elements": [
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"Li",
"Hg"
],
"chemical_system": "Ba-Hg-Li",
"density": 0.43004080240054776,
"density_atomic": 0.0021483590285839775,
"volume": 1861.8861869826633,
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"formula_full": "Ba2 Li1 Hg1",
"formula_reduced": "Ba2LiHg",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.818000Z",
"spacegroup": 71
},
{
"id": "mp-1096352",
"created_at": "2022-09-04T14:46:03.994167Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
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"density": 0.4367685700253632,
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"volume": 1856.2307593899686,
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"formula_full": "Sr2 Cd1 Hg1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.5243000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.940000Z",
"spacegroup": 71
},
{
"id": "mp-1095866",
"created_at": "2022-09-04T14:41:48.995358Z",
"structure_string": "Sr2 In1 Pb1\n1.0\n-6.573448 7.141582 9.877578\n6.573448 -7.141582 9.877578\n6.573448 7.141582 -9.877578\nSr In Pb\n2 1 1\ndirect\n0.000000 0.252360 0.252360 Sr\n0.000000 0.747640 0.747640 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
"Pb"
],
"chemical_system": "In-Pb-Sr",
"density": 0.44517704078360576,
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"volume": 1854.8044025944087,
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"formula_full": "Sr2 In1 Pb1",
"formula_reduced": "Sr2InPb",
"formula_anonymous": "ABC2",
"energy": -5.13355405,
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"updated_at": "2021-11-28T01:35:29.284000Z",
"spacegroup": 71
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{
"id": "mp-1096266",
"created_at": "2022-09-04T14:39:43.613276Z",
"structure_string": "La2 Cd1 Pb1\n1.0\n-6.273336 7.234319 10.216563\n6.273336 -7.234319 10.216563\n6.273336 7.234319 -10.216563\nLa Cd Pb\n2 1 1\ndirect\n0.000000 0.260836 0.260836 La\n0.000000 0.739164 0.739164 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-La-Pb",
"density": 0.5348958794265911,
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"volume": 1854.6459390889895,
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"formula_full": "La2 Cd1 Pb1",
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"updated_at": "2021-11-28T01:34:26.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"volume": 1854.42806889758,
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"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
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{
"id": "mp-1206109",
"created_at": "2022-09-04T14:44:06.105750Z",
"structure_string": "Pr2 Cu1 As3\n1.0\n8.532849 0.000000 0.000000\n0.000000 8.532849 0.000000\n0.000000 0.000000 38.111858\nPr Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.243070 Pr\n0.500000 0.500000 0.756930 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691340 As\n0.500000 0.500000 0.308660 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
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"elements": [
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"density": 0.34117074071726206,
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"volume": 2774.905784558088,
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"formula_full": "Pr2 Cu1 As3",
"formula_reduced": "Pr2CuAs3",
"formula_anonymous": "AB2C3",
"energy": -13.744584579999998,
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"band_gap": 0.0651000000000001,
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"updated_at": "2021-11-28T01:36:27.470000Z",
"spacegroup": 123
}
]
}