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{
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{
"id": "mp-30435",
"created_at": "2022-09-04T14:44:06.317243Z",
"structure_string": "Ba2 Zn4\n1.0\n-2.523072 3.932957 4.075572\n2.523072 -3.932957 4.075572\n2.523072 3.932957 -4.075572\nBa Zn\n2 4\ndirect\n0.307378 0.750000 0.557378 Ba\n0.692622 0.250000 0.442622 Ba\n0.082565 0.922437 0.160129 Zn\n0.917435 0.077563 0.839871 Zn\n0.262308 0.422437 0.839871 Zn\n0.737692 0.577563 0.160129 Zn\n",
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{
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"spacegroup": 58
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{
"id": "mp-589",
"created_at": "2022-09-04T14:44:16.039161Z",
"structure_string": "Tb2 Fe4\n1.0\n0.000000 3.650226 3.650226\n3.650226 0.000000 3.650226\n3.650226 3.650226 0.000000\nTb Fe\n2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Tb\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n",
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"density": 9.23936793520355,
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"volume": 97.27231642858747,
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"formula_full": "Tb2 Fe4",
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"formula_anonymous": "AB2",
"energy": -43.49180966,
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"updated_at": "2021-11-28T01:36:30.022000Z",
"spacegroup": 227
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{
"id": "mp-977218",
"created_at": "2022-09-04T14:44:11.731596Z",
"structure_string": "Li4 Mg2\n1.0\n1.555900 -7.906867 0.000000\n1.555900 7.906867 0.000000\n0.000000 0.000000 5.036729\nLi Mg\n4 2\ndirect\n0.445063 0.554937 0.250000 Li\n0.108681 0.891319 0.250000 Li\n0.891319 0.108681 0.750000 Li\n0.554937 0.445063 0.750000 Li\n0.779762 0.220238 0.250000 Mg\n0.220238 0.779762 0.750000 Mg\n",
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"volume": 123.92664559248621,
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"formula_full": "Li4 Mg2",
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"spacegroup": 63
},
{
"id": "mp-803",
"created_at": "2022-09-04T14:44:16.162978Z",
"structure_string": "Dy2 Al4\n1.0\n0.000000 3.933013 3.933013\n3.933013 0.000000 3.933013\n3.933013 3.933013 0.000000\nDy Al\n2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Dy\n0.625000 0.625000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n",
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"energy": -27.29684998,
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"updated_at": "2021-11-28T01:36:29.421000Z",
"spacegroup": 227
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{
"id": "mp-569535",
"created_at": "2022-09-04T14:44:14.955492Z",
"structure_string": "Ca4 Bi2\n1.0\n-2.442079 2.442079 8.485224\n2.442079 -2.442079 8.485224\n2.442079 2.442079 -8.485224\nCa Bi\n4 2\ndirect\n0.673315 0.673315 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.326685 0.326685 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.136719 0.136719 0.000000 Bi\n0.863281 0.863281 0.000000 Bi\n",
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"Bi"
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"density": 4.743939496063763,
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"volume": 202.41501316551822,
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"formula_full": "Ca4 Bi2",
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"updated_at": "2021-11-28T01:36:39.727000Z",
"spacegroup": 139
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{
"id": "mp-1224294",
"created_at": "2022-09-04T14:44:05.732573Z",
"structure_string": "Hf1 Si1 W4\n1.0\n0.000000 3.760155 3.760155\n3.760155 0.000000 3.760155\n3.760155 3.760155 0.000000\nHf Si W\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Si\n0.625619 0.625619 0.123143 W\n0.625619 0.123143 0.625619 W\n0.123143 0.625619 0.625619 W\n0.625619 0.625619 0.625619 W\n",
"nsites": 6,
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"volume": 106.32790051001146,
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"formula_full": "Hf1 Si1 W4",
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"formula_anonymous": "ABC4",
"energy": -65.38662843,
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"updated_at": "2021-11-28T01:36:30.975000Z",
"spacegroup": 216
},
{
"id": "mp-1232389",
"created_at": "2022-09-04T14:44:12.655013Z",
"structure_string": "Mn2 Cd2 Te2\n1.0\n5.309252 -0.658221 -0.256120\n-0.658221 5.309252 0.256120\n-2.848539 -1.802493 4.146730\nMn Cd Te\n2 2 2\ndirect\n0.737670 0.086487 0.081428 Mn\n0.244941 0.093759 0.581429 Mn\n0.836883 0.586266 0.999087 Cd\n0.662823 0.912205 0.499088 Cd\n0.325026 0.250241 0.169485 Te\n0.169244 0.594458 0.669484 Te\n",
"nsites": 6,
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"Cd",
"Te"
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"density": 8.604155843294947,
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"volume": 113.84601134590864,
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"formula_full": "Mn2 Cd2 Te2",
"formula_reduced": "MnCdTe",
"formula_anonymous": "ABC",
"energy": -26.28332562,
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{
"id": "mp-10195",
"created_at": "2022-09-04T14:44:06.779750Z",
"structure_string": "Lu2 S4\n1.0\n0.000000 3.870366 3.870366\n3.870366 0.000000 3.870366\n3.870366 3.870366 0.000000\nLu S\n2 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Lu\n0.625000 0.625000 0.125000 S\n0.625000 0.125000 0.625000 S\n0.625000 0.625000 0.625000 S\n0.125000 0.625000 0.625000 S\n",
"nsites": 6,
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"density": 6.848053061403785,
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"volume": 115.9540983829564,
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"formula_full": "Lu2 S4",
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"spacegroup": 227
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{
"id": "mp-1100782",
"created_at": "2022-09-04T14:44:10.255958Z",
"structure_string": "Yb2 Mg4\n1.0\n0.000000 4.374657 4.374657\n4.374657 0.000000 4.374657\n4.374657 4.374657 0.000000\nYb Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n",
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{
"id": "mp-1094295",
"created_at": "2022-09-04T14:44:10.803067Z",
"structure_string": "Sr1 Mg5\n1.0\n5.992957 -2.895281 0.000000\n5.992957 2.895281 0.000000\n4.594206 0.000000 4.815751\nSr Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.672802 0.327198 Mg\n0.833695 0.833695 0.833695 Mg\n0.672802 0.327198 0.000000 Mg\n0.327198 0.000000 0.672802 Mg\n0.166305 0.166305 0.166305 Mg\n",
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{
"id": "mp-1768",
"created_at": "2022-09-04T14:44:49.696476Z",
"structure_string": "La2 Os4\n1.0\n0.000000 3.879636 3.879636\n3.879636 0.000000 3.879636\n3.879636 3.879636 0.000000\nLa Os\n2 4\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 La\n0.625000 0.625000 0.625000 Os\n0.125000 0.625000 0.625000 Os\n0.625000 0.125000 0.625000 Os\n0.625000 0.625000 0.125000 Os\n",
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"formula_full": "La2 Os4",
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"updated_at": "2021-11-28T01:36:41.720000Z",
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]
}