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{
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"results": [
{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
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"volume": 1656.8632124007252,
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{
"id": "mp-1096003",
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"elements": [
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"formula_full": "Ba1 Li2 Tl1",
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"updated_at": "2021-11-28T01:34:23.552000Z",
"spacegroup": 71
},
{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
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"elements": [
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"Li",
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],
"chemical_system": "Li-Sr-Tl",
"density": 0.5036713605700279,
"density_atomic": 0.0024105014953931594,
"volume": 1659.405732643028,
"volume_molar": 249.82937249818102,
"formula_full": "Sr1 Li1 Tl2",
"formula_reduced": "SrLiTl2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.083000Z",
"spacegroup": 71
},
{
"id": "mp-1211623",
"created_at": "2022-09-04T14:39:15.669734Z",
"structure_string": "Sr2 Mn1 Sn2\n1.0\n8.688456 0.000000 0.000000\n0.000000 8.688456 0.000000\n0.000000 0.000000 27.486471\nSr Mn Sn\n2 1 2\ndirect\n0.500000 0.500000 0.670838 Sr\n0.500000 0.500000 0.329162 Sr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.215147 Sn\n0.500000 0.500000 0.784853 Sn\n",
"nsites": 5,
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"elements": [
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"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Sr",
"density": 0.37421189465573396,
"density_atomic": 0.002409715704074322,
"volume": 2074.933566456015,
"volume_molar": 249.91084009693873,
"formula_full": "Sr2 Mn1 Sn2",
"formula_reduced": "Sr2MnSn2",
"formula_anonymous": "AB2C2",
"energy": -10.02784783,
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"energy_uncorrected": -10.02784783,
"band_gap": 0.5518000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.879000Z",
"spacegroup": 123
},
{
"id": "mp-1096590",
"created_at": "2022-09-04T14:39:32.832138Z",
"structure_string": "K2 Cd1 Au1\n1.0\n-6.570318 6.816685 9.279438\n6.570318 -6.816685 9.279438\n6.570318 6.816685 -9.279438\nK Cd Au\n2 1 1\ndirect\n0.726526 0.000000 0.726526 K\n0.273474 0.000000 0.273474 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cd-K",
"density": 0.38713518206762276,
"density_atomic": 0.0024061279072136806,
"volume": 1662.4220133966355,
"volume_molar": 250.28348417992862,
"formula_full": "K2 Cd1 Au1",
"formula_reduced": "K2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.87964889,
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"energy_above_hull": null,
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"energy_uncorrected": -4.87964889,
"band_gap": 0.2384999999999999,
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"total_magnetization": 0.999521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.068000Z",
"spacegroup": 71
},
{
"id": "mp-1093983",
"created_at": "2022-09-04T14:46:38.990801Z",
"structure_string": "Y2 Fe1 Pd1\n1.0\n-5.029718 7.653929 10.795969\n5.029718 -7.653929 10.795969\n5.029718 7.653929 -10.795969\nY Fe Pd\n2 1 1\ndirect\n0.000000 0.240113 0.240113 Y\n0.000000 0.759887 0.759887 Y\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
"Y",
"Fe",
"Pd"
],
"chemical_system": "Fe-Pd-Y",
"density": 0.339684937446001,
"density_atomic": 0.0024060813434834422,
"volume": 1662.4541854470044,
"volume_molar": 250.2883277953251,
"formula_full": "Y2 Fe1 Pd1",
"formula_reduced": "Y2FePd",
"formula_anonymous": "ABC2",
"energy": -17.94321637,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -17.94321637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8154363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.754000Z",
"spacegroup": 71
},
{
"id": "mp-1096602",
"created_at": "2022-09-04T14:48:02.835122Z",
"structure_string": "Sr2 Cd1 Ge1\n1.0\n-6.529242 6.716099 9.486705\n6.529242 -6.716099 9.486705\n6.529242 6.716099 -9.486705\nSr Cd Ge\n2 1 1\ndirect\n0.000000 0.226546 0.226546 Sr\n0.000000 0.773454 0.773453 Sr\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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"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Sr",
"density": 0.3595400454399283,
"density_atomic": 0.002403835525443923,
"volume": 1664.0073572676351,
"volume_molar": 250.52216327853273,
"formula_full": "Sr2 Cd1 Ge1",
"formula_reduced": "Sr2CdGe",
"formula_anonymous": "ABC2",
"energy": -4.34072892,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.482000Z",
"spacegroup": 71
},
{
"id": "mp-1096262",
"created_at": "2022-09-04T14:40:15.463965Z",
"structure_string": "Mg1 Zr2 Tc1\n1.0\n-5.443746 7.377072 10.374499\n5.443746 -7.377072 10.374499\n5.443746 7.377072 -10.374499\nMg Zr Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.293899 0.293898 Zr\n0.000000 0.706102 0.706102 Zr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Zr",
"Tc"
],
"chemical_system": "Mg-Tc-Zr",
"density": 0.30366034917243634,
"density_atomic": 0.0024002196750537194,
"volume": 1666.51412850804,
"volume_molar": 250.89956651010365,
"formula_full": "Mg1 Zr2 Tc1",
"formula_reduced": "MgZr2Tc",
"formula_anonymous": "ABC2",
"energy": -16.7792213,
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"energy_uncorrected": -16.7792213,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:54.263000Z",
"spacegroup": 71
},
{
"id": "mp-1096382",
"created_at": "2022-09-04T14:44:17.422243Z",
"structure_string": "Ba1 Sn1 Hg2\n1.0\n-6.326122 6.832293 9.645272\n6.326122 -6.832293 9.645272\n6.326122 6.832293 -9.645272\nBa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.228515 0.228515 Hg\n0.000000 0.771485 0.771485 Hg\n",
"nsites": 4,
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"elements": [
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"Sn",
"Hg"
],
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"density": 0.654454366548674,
"density_atomic": 0.002398730597482871,
"volume": 1667.5486626957754,
"volume_molar": 251.055319272593,
"formula_full": "Ba1 Sn1 Hg2",
"formula_reduced": "BaSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.31833699,
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"energy_above_hull": null,
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"band_gap": 0.1998999999999999,
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"updated_at": "2021-11-28T01:36:28.428000Z",
"spacegroup": 71
},
{
"id": "mp-1097360",
"created_at": "2022-09-04T14:39:12.014550Z",
"structure_string": "Ba2 Sb1 I1\n1.0\n-6.570421 6.712476 9.464604\n6.570421 -6.712476 9.464604\n6.570421 6.712476 -9.464604\nBa Sb I\n2 1 1\ndirect\n0.000000 0.234663 0.234663 Ba\n0.000000 0.765337 0.765337 Ba\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 I\n",
"nsites": 4,
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"elements": [
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"Sb",
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],
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"density": 0.5204473212666996,
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"volume": 1669.6997528843688,
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"formula_full": "Ba2 Sb1 I1",
"formula_reduced": "Ba2SbI",
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"energy_above_hull": null,
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"band_gap": 0.8340000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.169000Z",
"spacegroup": 71
},
{
"id": "mp-1096045",
"created_at": "2022-09-04T14:45:26.602971Z",
"structure_string": "Sr1 Y1 Pb2\n1.0\n-6.116669 6.945920 9.825337\n6.116669 -6.945920 9.825337\n6.116669 6.945920 -9.825337\nSr Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Y\n0.000000 0.261600 0.261600 Pb\n0.000000 0.738400 0.738400 Pb\n",
"nsites": 4,
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"density": 0.5876650772427404,
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"volume": 1669.7528871253564,
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"formula_full": "Sr1 Y1 Pb2",
"formula_reduced": "SrYPb2",
"formula_anonymous": "ABC2",
"energy": -9.80039516,
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"energy_above_hull": null,
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"energy_uncorrected": -9.80039516,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:09.825000Z",
"spacegroup": 71
},
{
"id": "mp-1093563",
"created_at": "2022-09-04T14:44:13.895351Z",
"structure_string": "Cs1 Rb1 Au2\n1.0\n-6.568763 6.701836 9.485725\n6.568763 -6.701836 9.485725\n6.568763 6.701836 -9.485725\nCs Rb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.000000 0.245819 0.245819 Au\n0.000000 0.754181 0.754181 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6087093587708534,
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"volume": 1670.3516489558638,
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"formula_full": "Cs1 Rb1 Au2",
"formula_reduced": "CsRbAu2",
"formula_anonymous": "ABC2",
"energy": -7.99905708,
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"energy_uncorrected": -7.99905708,
"band_gap": 2.829,
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"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.762000Z",
"spacegroup": 71
}
]
}