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{
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{
"id": "mp-1096428",
"created_at": "2022-09-04T14:42:57.529664Z",
"structure_string": "Ta2 Ni1 Os1\n1.0\n-4.618038 5.378448 7.742902\n4.618038 -5.378448 7.742902\n4.618038 5.378448 -7.742902\nTa Ni Os\n2 1 1\ndirect\n0.000000 0.251521 0.251521 Ta\n0.000000 0.748479 0.748479 Ta\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Os\n",
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{
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"updated_at": "2021-11-28T01:35:20.311000Z",
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{
"id": "mp-1093872",
"created_at": "2022-09-04T14:39:07.746326Z",
"structure_string": "Mn2 Si1 W1\n1.0\n-5.082613 5.170883 7.312711\n5.082613 -5.170883 7.312711\n5.082613 5.170883 -7.312711\nMn Si W\n2 1 1\ndirect\n0.000000 0.227464 0.227464 Mn\n0.000000 0.772536 0.772536 Mn\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Si-W",
"density": 0.6950997418291321,
"density_atomic": 0.005203191803969995,
"volume": 768.7588985184116,
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"formula_full": "Mn2 Si1 W1",
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"updated_at": "2021-11-28T01:34:32.612000Z",
"spacegroup": 71
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{
"id": "mp-1096738",
"created_at": "2022-09-04T14:48:00.401991Z",
"structure_string": "Zr1 Ta1 Ru2\n1.0\n-4.513497 5.480859 7.768742\n4.513497 -5.480859 7.768742\n4.513497 5.480859 -7.768742\nZr Ta Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ta\n0.000000 0.255594 0.255594 Ru\n0.000000 0.744406 0.744406 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ru-Ta-Zr",
"density": 1.024567609668096,
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"volume": 768.7276067097562,
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"formula_full": "Zr1 Ta1 Ru2",
"formula_reduced": "ZrTaRu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:24.978000Z",
"spacegroup": 71
},
{
"id": "mp-1096452",
"created_at": "2022-09-04T14:42:17.981831Z",
"structure_string": "Nb1 V1 Mo2\n1.0\n-4.546239 5.464252 7.733258\n4.546239 -5.464252 7.733258\n4.546239 5.464252 -7.733258\nNb V Mo\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.248002 0.248002 Mo\n0.000000 0.751998 0.751998 Mo\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mo-Nb-V",
"density": 0.725489333346034,
"density_atomic": 0.005205404909235671,
"volume": 768.4320566307942,
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"formula_full": "Nb1 V1 Mo2",
"formula_reduced": "NbVMo2",
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"energy": -23.21120905,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:43.594000Z",
"spacegroup": 71
},
{
"id": "mp-1095960",
"created_at": "2022-09-04T14:43:09.128045Z",
"structure_string": "Mg1 Cu2 Pt1\n1.0\n-4.828672 5.737697 6.930330\n4.828672 -5.737697 6.930330\n4.828672 5.737697 -6.930330\nMg Cu Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.252913 0.252913 Cu\n0.000000 0.747087 0.747087 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"Cu",
"Pt"
],
"chemical_system": "Cu-Mg-Pt",
"density": 0.7491163908648225,
"density_atomic": 0.005208117447098275,
"volume": 768.0318350402442,
"volume_molar": 115.62989546933628,
"formula_full": "Mg1 Cu2 Pt1",
"formula_reduced": "MgCu2Pt",
"formula_anonymous": "ABC2",
"energy": -8.27632894,
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"energy_uncorrected": -8.27632894,
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"updated_at": "2021-11-28T01:36:04.045000Z",
"spacegroup": 71
},
{
"id": "mp-1097293",
"created_at": "2022-09-04T14:45:58.709112Z",
"structure_string": "Hf2 V1 Rh1\n1.0\n-4.561367 5.479620 7.677930\n4.561367 -5.479620 7.677930\n4.561367 5.479620 -7.677930\nHf V Rh\n2 1 1\ndirect\n0.000000 0.246613 0.246613 Hf\n0.000000 0.753387 0.753387 Hf\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"V",
"Rh"
],
"chemical_system": "Hf-Rh-V",
"density": 1.1050281547962646,
"density_atomic": 0.005210871856222066,
"volume": 767.6258619224691,
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"formula_full": "Hf2 V1 Rh1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.464000Z",
"spacegroup": 71
},
{
"id": "mp-1093928",
"created_at": "2022-09-04T14:47:58.120821Z",
"structure_string": "Ta1 Mn1 Re2\n1.0\n-4.941577 5.273331 7.363911\n4.941577 -5.273331 7.363911\n4.941577 5.273331 -7.363911\nTa Mn Re\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264883 0.264883 Re\n0.000000 0.735117 0.735117 Re\n",
"nsites": 4,
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"Mn",
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"density": 1.315975302705769,
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"volume": 767.5719959147239,
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"formula_full": "Ta1 Mn1 Re2",
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"updated_at": "2021-11-28T01:38:30.703000Z",
"spacegroup": 71
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{
"id": "mp-1097525",
"created_at": "2022-09-04T14:41:57.225470Z",
"structure_string": "Li1 Cu1 Au2\n1.0\n-4.901158 5.260645 7.437928\n4.901158 -5.260645 7.437928\n4.901158 5.260645 -7.437928\nLi Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252391 0.252391 Au\n0.000000 0.747609 0.747609 Au\n",
"nsites": 4,
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"elements": [
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"Cu",
"Au"
],
"chemical_system": "Au-Cu-Li",
"density": 1.005334254587625,
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"volume": 767.0958976535562,
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"formula_full": "Li1 Cu1 Au2",
"formula_reduced": "LiCuAu2",
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"updated_at": "2021-11-28T01:35:36.991000Z",
"spacegroup": 71
},
{
"id": "mp-1096584",
"created_at": "2022-09-04T14:47:24.197344Z",
"structure_string": "Li1 Ga2 Tc1\n1.0\n-5.119559 5.166974 7.249013\n5.119559 -5.166974 7.249013\n5.119559 5.166974 -7.249013\nLi Ga Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260040 0.260040 Ga\n0.000000 0.739960 0.739960 Ga\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"volume": 767.0217841132048,
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"formula_full": "Li1 Ga2 Tc1",
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"updated_at": "2021-11-28T01:38:08.577000Z",
"spacegroup": 71
},
{
"id": "mp-1096511",
"created_at": "2022-09-04T14:44:17.354636Z",
"structure_string": "Ta2 Fe1 Tc1\n1.0\n-4.379285 5.590798 7.830762\n4.379285 -5.590798 7.830762\n4.379285 5.590798 -7.830762\nTa Fe Tc\n2 1 1\ndirect\n0.000000 0.246367 0.246367 Ta\n0.000000 0.753633 0.753633 Ta\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"volume": 766.9040420155013,
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"formula_full": "Ta2 Fe1 Tc1",
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"updated_at": "2021-11-28T01:36:27.962000Z",
"spacegroup": 71
},
{
"id": "mp-1096722",
"created_at": "2022-09-04T14:40:29.342140Z",
"structure_string": "Li2 Zn1 Cu1\n1.0\n-5.099185 5.217510 7.203798\n5.099185 -5.217510 7.203798\n5.099185 5.217510 -7.203798\nLi Zn Cu\n2 1 1\ndirect\n0.235271 0.000000 0.235271 Li\n0.764729 0.000000 0.764729 Li\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"volume": 766.6295873055763,
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"formula_full": "Li2 Zn1 Cu1",
"formula_reduced": "Li2ZnCu",
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"energy": -5.01780661,
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"updated_at": "2021-11-28T01:34:58.328000Z",
"spacegroup": 71
}
]
}