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{
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{
"id": "mp-1096033",
"created_at": "2022-09-04T14:45:33.935124Z",
"structure_string": "Hf1 Cu1 Au2\n1.0\n-5.052882 5.884374 8.330451\n5.052882 -5.884374 8.330451\n5.052882 5.884374 -8.330451\nHf Cu Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.244670 0.244670 Au\n0.000000 0.755330 0.755330 Au\n",
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"volume": 990.7587799803503,
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{
"id": "mp-1096109",
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"structure_string": "Mn1 Cd1 Au2\n1.0\n-5.317618 5.740848 8.121836\n5.317618 -5.740848 8.121836\n5.317618 5.740848 -8.121836\nMn Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.232319 0.232319 Au\n0.000000 0.767681 0.767681 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cd-Mn",
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"volume": 991.7618336825102,
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"formula_full": "Mn1 Cd1 Au2",
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"updated_at": "2021-11-28T01:36:43.070000Z",
"spacegroup": 71
},
{
"id": "mp-1097088",
"created_at": "2022-09-04T14:42:43.990086Z",
"structure_string": "In1 Ag1 Au2\n1.0\n-5.315065 5.742928 8.122863\n5.315065 -5.742928 8.122863\n5.315065 5.742928 -8.122863\nIn Ag Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.249548 0.249548 Au\n0.000000 0.750452 0.750452 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Ag-Au-In",
"density": 1.0324170466738176,
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"volume": 991.7702378790029,
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"formula_full": "In1 Ag1 Au2",
"formula_reduced": "InAgAu2",
"formula_anonymous": "ABC2",
"energy": -8.35754396,
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"energy_uncorrected": -8.35754396,
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"total_magnetization": 4.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.437000Z",
"spacegroup": 71
},
{
"id": "mp-1095947",
"created_at": "2022-09-04T14:39:58.766955Z",
"structure_string": "Mg1 Tl1 Pd2\n1.0\n-5.105781 5.860546 8.286702\n5.105781 -5.860546 8.286702\n5.105781 5.860546 -8.286702\nMg Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n0.000000 0.243957 0.243957 Pd\n0.000000 0.756043 0.756043 Pd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pd"
],
"chemical_system": "Mg-Pd-Tl",
"density": 0.7392063142563137,
"density_atomic": 0.0040329052309178775,
"volume": 991.8408122597048,
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"formula_full": "Mg1 Tl1 Pd2",
"formula_reduced": "MgTlPd2",
"formula_anonymous": "ABC2",
"energy": -9.63874908,
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"band_gap": 0.1529000000000002,
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"updated_at": "2021-11-28T01:34:54.416000Z",
"spacegroup": 71
},
{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
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"elements": [
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"Ag"
],
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"density": 0.41343614919256366,
"density_atomic": 0.004032304628298033,
"volume": 991.9885446969149,
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"formula_full": "Li1 Mg1 Ag2",
"formula_reduced": "LiMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.36997387,
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"energy_uncorrected": -5.36997387,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
},
{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
"density_atomic": 0.004031553514578053,
"volume": 992.1733608486267,
"volume_molar": 149.37519093381758,
"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.13688763,
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"formation_energy": null,
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"energy_uncorrected": -4.13688763,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096251",
"created_at": "2022-09-04T14:40:31.608808Z",
"structure_string": "Zr1 Zn2 Pd1\n1.0\n-5.209125 5.614036 8.483321\n5.209125 -5.614036 8.483321\n5.209125 5.614036 -8.483321\nZr Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.268142 0.268142 Zn\n0.000000 0.731858 0.731858 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
],
"chemical_system": "Pd-Zn-Zr",
"density": 0.5496273889405974,
"density_atomic": 0.004030826704940463,
"volume": 992.3522624024795,
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"formula_full": "Zr1 Zn2 Pd1",
"formula_reduced": "ZrZn2Pd",
"formula_anonymous": "ABC2",
"energy": -8.03617922,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.502000Z",
"spacegroup": 71
},
{
"id": "mp-1096169",
"created_at": "2022-09-04T14:42:45.237897Z",
"structure_string": "Cd2 Ag1 Pt1\n1.0\n-5.263255 5.767331 8.175663\n5.263255 -5.767331 8.175663\n5.263255 5.767331 -8.175663\nCd Ag Pt\n2 1 1\ndirect\n0.000000 0.253071 0.253071 Cd\n0.000000 0.746929 0.746929 Cd\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
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"density": 0.8828460773536277,
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"volume": 992.6868340068754,
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"formula_full": "Cd2 Ag1 Pt1",
"formula_reduced": "Cd2AgPt",
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"updated_at": "2021-11-28T01:35:55.950000Z",
"spacegroup": 71
},
{
"id": "mp-1093881",
"created_at": "2022-09-04T14:44:15.360204Z",
"structure_string": "Ca1 In1 Rh2\n1.0\n-5.033606 5.899004 8.359301\n5.033606 -5.899004 8.359301\n5.033606 5.899004 -8.359301\nCa In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.245304 0.245304 Rh\n0.000000 0.754696 0.754696 Rh\n",
"nsites": 4,
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"elements": [
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"In",
"Rh"
],
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"density": 0.6032756605216263,
"density_atomic": 0.0040287667785750755,
"volume": 992.8596565261466,
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"formula_full": "Ca1 In1 Rh2",
"formula_reduced": "CaInRh2",
"formula_anonymous": "ABC2",
"energy": -12.12431968,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:26.370000Z",
"spacegroup": 71
},
{
"id": "mp-1093730",
"created_at": "2022-09-04T14:43:53.693071Z",
"structure_string": "Cd1 Rh2 Pb1\n1.0\n-5.256289 5.782530 8.172820\n5.256289 -5.782530 8.172820\n5.256289 5.782530 -8.172820\nCd Rh Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.258840 0.258840 Rh\n0.000000 0.741160 0.741160 Rh\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 993.6399754414513,
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"formula_full": "Cd1 Rh2 Pb1",
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"updated_at": "2021-11-28T01:36:25.483000Z",
"spacegroup": 71
},
{
"id": "mp-1097131",
"created_at": "2022-09-04T14:44:54.369516Z",
"structure_string": "Na1 Cd2 Rh1\n1.0\n-5.667862 5.727693 7.653738\n5.667862 -5.727693 7.653738\n5.667862 5.727693 -7.653738\nNa Cd Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.268094 0.268094 Cd\n0.000000 0.731906 0.731906 Cd\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"volume": 993.876867513807,
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"formula_full": "Na1 Cd2 Rh1",
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"updated_at": "2021-11-28T01:36:46.316000Z",
"spacegroup": 71
},
{
"id": "mp-1096305",
"created_at": "2022-09-04T14:48:12.605421Z",
"structure_string": "Hf1 Zr1 Au2\n1.0\n-5.377714 5.775218 8.001893\n5.377714 -5.775218 8.001893\n5.377714 5.775218 -8.001893\nHf Zr Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.255681 0.255681 Au\n0.000000 0.744319 0.744319 Au\n",
"nsites": 4,
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"elements": [
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"volume": 994.0742293009413,
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"formula_full": "Hf1 Zr1 Au2",
"formula_reduced": "HfZrAu2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.082000Z",
"spacegroup": 71
}
]
}