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{
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{
"id": "mp-1093812",
"created_at": "2022-09-04T14:39:11.977668Z",
"structure_string": "Ta1 In1 Rh2\n1.0\n-4.979897 5.464972 7.727500\n4.979897 -5.464972 7.727500\n4.979897 5.464972 -7.727500\nTa In Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.000000 0.281201 0.281201 Rh\n0.000000 0.718799 0.718799 Rh\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:34:42.160000Z",
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{
"id": "mp-1096413",
"created_at": "2022-09-04T14:41:34.188079Z",
"structure_string": "Li1 Cu1 Ag2\n1.0\n-5.008220 5.448473 7.702163\n5.008220 -5.448473 7.702163\n5.008220 5.448473 -7.702163\nLi Cu Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.253970 0.253970 Ag\n0.000000 0.746030 0.746030 Ag\n",
"nsites": 4,
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"chemical_system": "Ag-Cu-Li",
"density": 0.5653577316984476,
"density_atomic": 0.0047580510066178305,
"volume": 840.6803530345765,
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"formula_full": "Li1 Cu1 Ag2",
"formula_reduced": "LiCuAg2",
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"energy": -6.62522047,
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"updated_at": "2021-11-28T01:35:25.260000Z",
"spacegroup": 71
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{
"id": "mp-1095845",
"created_at": "2022-09-04T14:48:22.717411Z",
"structure_string": "Li1 Ti2 Os1\n1.0\n-5.249533 5.350918 7.480480\n5.249533 -5.350918 7.480480\n5.249533 5.350918 -7.480480\nLi Ti Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.292900 0.292900 Ti\n0.000000 0.707100 0.707100 Ti\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Os-Ti",
"density": 0.5786786497903298,
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"volume": 840.5013654447093,
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"formula_full": "Li1 Ti2 Os1",
"formula_reduced": "LiTi2Os",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:09.202000Z",
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},
{
"id": "mp-1097196",
"created_at": "2022-09-04T14:39:49.705784Z",
"structure_string": "Zn1 Ni1 Au2\n1.0\n-4.896357 5.506519 7.792287\n4.896357 -5.506519 7.792287\n4.896357 5.506519 -7.792287\nZn Ni Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.251255 0.251255 Au\n0.000000 0.748745 0.748745 Au\n",
"nsites": 4,
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"elements": [
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"density": 1.0236076029344512,
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"volume": 840.3789169503018,
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"formula_full": "Zn1 Ni1 Au2",
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"energy": -7.98816552,
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"updated_at": "2021-11-28T01:34:37.555000Z",
"spacegroup": 71
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{
"id": "mp-1095912",
"created_at": "2022-09-04T14:42:23.345071Z",
"structure_string": "Mg1 Nb1 Os2\n1.0\n-4.937184 5.485532 7.757216\n4.937184 -5.485532 7.757216\n4.937184 5.485532 -7.757216\nMg Nb Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Nb\n0.000000 0.274517 0.274517 Os\n0.000000 0.725483 0.725483 Os\n",
"nsites": 4,
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"density": 0.9833946062684068,
"density_atomic": 0.004759880500759106,
"volume": 840.3572315233711,
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"formula_full": "Mg1 Nb1 Os2",
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"formula_anonymous": "ABC2",
"energy": -19.92491866,
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"updated_at": "2021-11-28T01:35:47.476000Z",
"spacegroup": 71
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{
"id": "mp-1096196",
"created_at": "2022-09-04T14:48:26.523451Z",
"structure_string": "Nb2 Cr1 Os1\n1.0\n-5.039147 5.313565 7.843866\n5.039147 -5.313565 7.843866\n5.039147 5.313565 -7.843866\nNb Cr Os\n2 1 1\ndirect\n0.000000 0.271400 0.271400 Nb\n0.000000 0.728600 0.728600 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"Os"
],
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"density": 0.8460560080134686,
"density_atomic": 0.004761313842263333,
"volume": 840.1042511616004,
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"formula_full": "Nb2 Cr1 Os1",
"formula_reduced": "Nb2CrOs",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:14.026000Z",
"spacegroup": 71
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{
"id": "mp-1096144",
"created_at": "2022-09-04T14:45:13.917664Z",
"structure_string": "Zr1 Ta1 Mn2\n1.0\n-4.900328 5.472397 7.830917\n4.900328 -5.472397 7.830917\n4.900328 5.472397 -7.830917\nZr Ta Mn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ta\n0.000000 0.257335 0.257335 Mn\n0.000000 0.742665 0.742665 Mn\n",
"nsites": 4,
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],
"chemical_system": "Mn-Ta-Zr",
"density": 0.7552515675089287,
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"volume": 839.9924035811083,
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"formula_full": "Zr1 Ta1 Mn2",
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"updated_at": "2021-11-28T01:36:59.380000Z",
"spacegroup": 71
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{
"id": "mp-1093944",
"created_at": "2022-09-04T14:47:26.154034Z",
"structure_string": "Ta1 V1 Tc2\n1.0\n-4.560947 5.833641 7.890321\n4.560947 -5.833641 7.890321\n4.560947 5.833641 -7.890321\nTa V Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.246474 0.246474 Tc\n0.000000 0.753526 0.753526 Tc\n",
"nsites": 4,
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"density": 0.8461185510809704,
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"volume": 839.7487926077367,
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"formula_full": "Ta1 V1 Tc2",
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"updated_at": "2021-11-28T01:38:11.235000Z",
"spacegroup": 71
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{
"id": "mp-1093573",
"created_at": "2022-09-04T14:46:54.934149Z",
"structure_string": "Zr2 Re1 Ir1\n1.0\n-4.811284 5.508205 7.918936\n4.811284 -5.508205 7.918936\n4.811284 5.508205 -7.918936\nZr Re Ir\n2 1 1\ndirect\n0.000000 0.250692 0.250692 Zr\n0.000000 0.749308 0.749308 Zr\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Ir\n",
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"formula_full": "Zr2 Re1 Ir1",
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"updated_at": "2021-11-28T01:37:48.708000Z",
"spacegroup": 71
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{
"id": "mp-1096372",
"created_at": "2022-09-04T14:43:01.911577Z",
"structure_string": "Ti1 Zn2 Pd1\n1.0\n-5.147772 5.367523 7.594225\n5.147772 -5.367523 7.594225\n5.147772 5.367523 -7.594225\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.265013 0.265013 Zn\n0.000000 0.734987 0.734987 Zn\n0.000000 0.500000 0.500000 Pd\n",
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{
"id": "mp-1096022",
"created_at": "2022-09-04T14:48:23.865298Z",
"structure_string": "Li1 Ti1 Au2\n1.0\n-5.143068 5.363699 7.603641\n5.143068 -5.363699 7.603641\n5.143068 5.363699 -7.603641\nLi Ti Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ti\n0.000000 0.247616 0.247616 Au\n0.000000 0.752384 0.752384 Au\n",
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"formula_full": "Li1 Ti1 Au2",
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"updated_at": "2021-11-28T01:39:09.532000Z",
"spacegroup": 71
}
]
}