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{
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"results": [
{
"id": "mp-1097586",
"created_at": "2022-09-04T14:47:26.439497Z",
"structure_string": "Ag1 Sn1 Au2\n1.0\n-5.240135 5.683113 8.026233\n5.240135 -5.683113 8.026233\n5.240135 5.683113 -8.026233\nAg Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.253103 0.253103 Au\n0.000000 0.746897 0.746897 Au\n",
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"volume": 956.0938431598915,
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"formula_full": "Ag1 Sn1 Au2",
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{
"id": "mp-1097500",
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"nsites": 4,
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"elements": [
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"density": 0.8296502633732908,
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"volume": 956.4013473752066,
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"updated_at": "2021-11-28T01:36:59.652000Z",
"spacegroup": 71
},
{
"id": "mp-1095940",
"created_at": "2022-09-04T14:40:33.803863Z",
"structure_string": "Zr2 Zn1 Cu1\n1.0\n-5.301729 5.641001 7.996704\n5.301729 -5.641001 7.996704\n5.301729 5.641001 -7.996704\nZr Zn Cu\n2 1 1\ndirect\n0.000000 0.240529 0.240529 Zr\n0.000000 0.759471 0.759471 Zr\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cu"
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"chemical_system": "Cu-Zn-Zr",
"density": 0.540539176874299,
"density_atomic": 0.004181338022506519,
"volume": 956.6315802428679,
"volume_molar": 144.02425079209462,
"formula_full": "Zr2 Zn1 Cu1",
"formula_reduced": "Zr2ZnCu",
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"energy": -10.52229199,
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"energy_uncorrected": -10.52229199,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.898000Z",
"spacegroup": 71
},
{
"id": "mp-1097099",
"created_at": "2022-09-04T14:45:03.740448Z",
"structure_string": "Mg1 Bi1 Pd2\n1.0\n-5.113296 5.751664 8.137909\n5.113296 -5.751664 8.137909\n5.113296 5.751664 -8.137909\nMg Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.251713 0.251713 Pd\n0.000000 0.748287 0.748287 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Bi",
"Pd"
],
"chemical_system": "Bi-Mg-Pd",
"density": 0.7738179251731736,
"density_atomic": 0.0041782337160039835,
"volume": 957.3423297693255,
"volume_molar": 144.1312566344304,
"formula_full": "Mg1 Bi1 Pd2",
"formula_reduced": "MgBiPd2",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -10.15769671,
"band_gap": 0.3533000000000004,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.006000Z",
"spacegroup": 71
},
{
"id": "mp-1096217",
"created_at": "2022-09-04T14:44:53.620010Z",
"structure_string": "Cd1 Pd1 Au2\n1.0\n-5.205597 5.705142 8.067898\n5.205597 -5.705142 8.067898\n5.205597 5.705142 -8.067898\nCd Pd Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.251171 0.251171 Au\n0.000000 0.748829 0.748829 Au\n",
"nsites": 4,
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"elements": [
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"Pd",
"Au"
],
"chemical_system": "Au-Cd-Pd",
"density": 1.0616589998095853,
"density_atomic": 0.004173520962927879,
"volume": 958.423363757074,
"volume_molar": 144.29401010544456,
"formula_full": "Cd1 Pd1 Au2",
"formula_reduced": "CdPdAu2",
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"energy": -7.63036487,
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"energy_uncorrected": -7.63036487,
"band_gap": 0.5445000000000002,
"is_gap_direct": true,
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"total_magnetization": 5.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.338000Z",
"spacegroup": 71
},
{
"id": "mp-1096089",
"created_at": "2022-09-04T14:42:46.844353Z",
"structure_string": "Li1 Ta1 Pt2\n1.0\n-4.937790 5.654910 8.586046\n4.937790 -5.654910 8.586046\n4.937790 5.654910 -8.586046\nLi Ta Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ta\n0.000000 0.265243 0.265243 Pt\n0.000000 0.734757 0.734757 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ta",
"Pt"
],
"chemical_system": "Li-Pt-Ta",
"density": 1.0009402569991912,
"density_atomic": 0.004171079581014785,
"volume": 958.9843402189025,
"volume_molar": 144.378467085849,
"formula_full": "Li1 Ta1 Pt2",
"formula_reduced": "LiTaPt2",
"formula_anonymous": "ABC2",
"energy": -17.88965805,
"energy_per_atom": -4.4724145125,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -17.88965805,
"band_gap": 0.3626999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.426000Z",
"spacegroup": 71
},
{
"id": "mp-1097212",
"created_at": "2022-09-04T14:43:15.026348Z",
"structure_string": "Y1 Cd1 Rh2\n1.0\n-4.987935 5.833657 8.245782\n4.987935 -5.833657 8.245782\n4.987935 5.833657 -8.245782\nY Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.230434 0.230434 Rh\n0.000000 0.769566 0.769566 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Y",
"density": 0.7044114282204919,
"density_atomic": 0.004167796209630371,
"volume": 959.7398238324008,
"volume_molar": 144.49220780240802,
"formula_full": "Y1 Cd1 Rh2",
"formula_reduced": "YCdRh2",
"formula_anonymous": "ABC2",
"energy": -14.91441882,
"energy_per_atom": -3.728604705,
"energy_above_hull": null,
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"energy_uncorrected": -14.91441882,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.506000Z",
"spacegroup": 71
},
{
"id": "mp-1096001",
"created_at": "2022-09-04T14:42:47.317468Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-5.395811 5.635955 7.893240\n5.395811 -5.635955 7.893240\n5.395811 5.635955 -7.893240\nLi Cd Ga\n2 1 1\ndirect\n0.239963 0.000000 0.239963 Li\n0.760037 0.000000 0.760037 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Li",
"density": 0.3390010743749378,
"density_atomic": 0.004166011322305541,
"volume": 960.1510150928569,
"volume_molar": 144.55411409365172,
"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.88062278,
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"band_gap": 0.0028999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.016000Z",
"spacegroup": 71
},
{
"id": "mp-1093788",
"created_at": "2022-09-04T14:44:16.396487Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n-5.114712 5.760992 8.147169\n5.114712 -5.760992 8.147169\n5.114712 5.760992 -8.147169\nMg Ag Pd\n2 1 1\ndirect\n0.000000 0.240020 0.240020 Mg\n0.000000 0.759980 0.759980 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pd"
],
"chemical_system": "Ag-Mg-Pd",
"density": 0.4546231397899502,
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"volume": 960.2518953182207,
"volume_molar": 144.56930196657774,
"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
"energy": -6.85767646,
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"total_magnetization": 8.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.517000Z",
"spacegroup": 71
},
{
"id": "mp-1095814",
"created_at": "2022-09-04T14:40:59.341220Z",
"structure_string": "Zr2 Zn1 Pt1\n1.0\n-5.379405 5.569603 8.022320\n5.379405 -5.569603 8.022320\n5.379405 5.569603 -8.022320\nZr Zn Pt\n2 1 1\ndirect\n0.000000 0.273413 0.273413 Zr\n0.000000 0.726587 0.726587 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Zn-Zr",
"density": 0.7650265797025079,
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"volume": 961.4317387310765,
"volume_molar": 144.74693154425216,
"formula_full": "Zr2 Zn1 Pt1",
"formula_reduced": "Zr2ZnPt",
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"updated_at": "2021-11-28T01:35:23.768000Z",
"spacegroup": 71
},
{
"id": "mp-1097343",
"created_at": "2022-09-04T14:48:07.689103Z",
"structure_string": "Hf2 Zn1 Ir1\n1.0\n-5.221009 5.756023 8.006076\n5.221009 -5.756023 8.006076\n5.221009 5.756023 -8.006076\nHf Zn Ir\n2 1 1\ndirect\n0.000000 0.278253 0.278253 Hf\n0.000000 0.721747 0.721747 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ir\n",
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"density": 1.0604476423218654,
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"volume": 962.4023222232745,
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"formula_full": "Hf2 Zn1 Ir1",
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"updated_at": "2021-11-28T01:38:27.414000Z",
"spacegroup": 71
},
{
"id": "mp-1208620",
"created_at": "2022-09-04T14:47:59.904459Z",
"structure_string": "Zn24 Si2 Ni8\n1.0\n-15.996837 -15.996837 0.000000\n-15.996837 -0.000000 -15.996837\n0.000000 -15.996837 -15.996837\nZn Si Ni\n24 2 8\ndirect\n0.560286 0.560286 0.189989 Zn\n0.689440 0.189989 0.560286 Zn\n0.189989 0.689440 0.560286 Zn\n0.560286 0.189989 0.560286 Zn\n0.060560 0.189714 0.560011 Zn\n0.189714 0.189714 0.560011 Zn\n0.560286 0.560286 0.689440 Zn\n0.189989 0.560286 0.689440 Zn\n0.189714 0.560011 0.189714 Zn\n0.060560 0.560011 0.189714 Zn\n0.689440 0.560286 0.189989 Zn\n0.189714 0.060560 0.189714 Zn\n0.560011 0.060560 0.189714 Zn\n0.560286 0.689440 0.560286 Zn\n0.560011 0.189714 0.060560 Zn\n0.189714 0.189714 0.060560 Zn\n0.189989 0.560286 0.560286 Zn\n0.560286 0.189989 0.689440 Zn\n0.689440 0.560286 0.560286 Zn\n0.560286 0.689440 0.189989 Zn\n0.189714 0.560011 0.060560 Zn\n0.560011 0.189714 0.189714 Zn\n0.189714 0.060560 0.560011 Zn\n0.060560 0.189714 0.189714 Zn\n-0.000000 -0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.787865 0.787865 0.787865 Ni\n0.636404 0.787865 0.787865 Ni\n0.787865 0.636404 0.787865 Ni\n0.113596 0.962135 0.962135 Ni\n0.962135 0.962135 0.962135 Ni\n0.787865 0.787865 0.636404 Ni\n0.962135 0.113596 0.962135 Ni\n0.962135 0.962135 0.113596 Ni\n",
"nsites": 34,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ni-Si-Zn",
"density": 0.42502208374103917,
"density_atomic": 0.0041528530395530325,
"volume": 8187.142592375334,
"volume_molar": 145.01213268669284,
"formula_full": "Zn24 Si2 Ni8",
"formula_reduced": "Zn12SiNi4",
"formula_anonymous": "AB4C12",
"energy": -38.51056571,
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"energy_above_hull": null,
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"energy_uncorrected": -38.51056571,
"band_gap": 0.2053000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.546000Z",
"spacegroup": 227
}
]
}