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{
"id": "mp-1073568",
"created_at": "2022-09-04T14:42:19.624776Z",
"structure_string": "Mg2 Si4\n1.0\n1.749433 -5.538661 0.000000\n1.749433 5.538661 0.000000\n0.000000 0.000000 5.345823\nMg Si\n2 4\ndirect\n0.818500 0.181500 0.750000 Mg\n0.181500 0.818500 0.250000 Mg\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.882685 0.117315 0.250000 Si\n0.117315 0.882685 0.750000 Si\n",
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{
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{
"id": "mp-1225531",
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"structure_string": "Dy1 U1 Al4\n1.0\n0.000000 3.919415 3.919415\n3.919415 0.000000 3.919415\n3.919415 3.919415 0.000000\nDy U Al\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 U\n0.374387 0.374387 0.374387 Al\n0.374387 0.876839 0.374387 Al\n0.876839 0.374387 0.374387 Al\n0.374387 0.374387 0.876839 Al\n",
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"Al"
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"density": 7.011451400399983,
"density_atomic": 0.04982616978693173,
"volume": 120.41864798473158,
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"formula_full": "Dy1 U1 Al4",
"formula_reduced": "DyUAl4",
"formula_anonymous": "ABC4",
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{
"id": "mp-5678",
"created_at": "2022-09-04T14:42:10.302054Z",
"structure_string": "Er1 B2 Rh3\n1.0\n2.712922 -4.698918 0.000000\n2.712922 4.698918 0.000000\n0.000000 0.000000 3.121585\nEr B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
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"Rh"
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"volume": 79.58667015450935,
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"updated_at": "2021-11-28T01:35:42.029000Z",
"spacegroup": 191
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{
"id": "mp-10112",
"created_at": "2022-09-04T14:42:15.611221Z",
"structure_string": "La1 B2 Ir3\n1.0\n2.797101 -4.844721 0.000000\n2.797101 4.844721 0.000000\n0.000000 0.000000 3.120135\nLa B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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"B",
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"volume": 84.56298428881057,
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"formula_full": "La1 B2 Ir3",
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"formula_anonymous": "AB2C3",
"energy": -48.71011039999999,
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{
"id": "mp-1463",
"created_at": "2022-09-04T14:42:14.937805Z",
"structure_string": "La2 Ir4\n1.0\n0.000000 3.872105 3.872105\n3.872105 0.000000 3.872105\n3.872105 3.872105 0.000000\nLa Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Ir\n0.625000 0.125000 0.125000 Ir\n0.125000 0.625000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n",
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"density": 14.968945631330852,
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"volume": 116.1104671540551,
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"formula_full": "La2 Ir4",
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"updated_at": "2021-11-28T01:35:47.707000Z",
"spacegroup": 227
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{
"id": "mp-754503",
"created_at": "2022-09-04T14:42:55.166343Z",
"structure_string": "Zr2 Br2 O2\n1.0\n9.703327 -1.877467 0.000000\n9.703327 1.877467 0.000000\n9.340061 0.000000 3.231514\nZr Br O\n2 2 2\ndirect\n0.123598 0.123598 0.123598 Zr\n0.876403 0.876403 0.876403 Zr\n0.390870 0.390870 0.390870 Br\n0.609130 0.609130 0.609130 Br\n0.199464 0.199464 0.199464 O\n0.800536 0.800536 0.800536 O\n",
"nsites": 6,
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"density": 5.278219655935572,
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"volume": 117.7413515869328,
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"formula_full": "Zr2 Br2 O2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:00.002000Z",
"spacegroup": 166
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{
"id": "mp-28783",
"created_at": "2022-09-04T14:42:14.950570Z",
"structure_string": "Co1 Re1 O4\n1.0\n3.173443 -3.326694 0.000000\n3.173443 3.326694 0.000000\n0.000000 0.000000 2.868665\nCo Re O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Re\n0.710104 0.289896 0.000000 O\n0.202269 0.202269 0.500000 O\n0.289896 0.710104 0.000000 O\n0.797731 0.797731 0.500000 O\n",
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"Re",
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"density": 8.47515822612837,
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"volume": 60.5694161529046,
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"formula_full": "Co1 Re1 O4",
"formula_reduced": "CoReO4",
"formula_anonymous": "ABC4",
"energy": -49.40206748,
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{
"id": "mp-1071293",
"created_at": "2022-09-04T14:42:14.955280Z",
"structure_string": "Cs2 Mn2 As2\n1.0\n4.499593 0.000000 0.000000\n0.000000 4.499593 0.000000\n0.000000 0.000000 9.031088\nCs Mn As\n2 2 2\ndirect\n0.000000 0.500000 0.660098 Cs\n0.500000 0.000000 0.339902 Cs\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.147575 As\n0.500000 0.000000 0.852425 As\n",
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"density": 4.772657084539082,
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"volume": 182.8464526206467,
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"formula_full": "Cs2 Mn2 As2",
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"updated_at": "2021-11-28T01:35:39.335000Z",
"spacegroup": 129
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{
"id": "mp-1221276",
"created_at": "2022-09-04T14:42:20.404938Z",
"structure_string": "Na2 Tb1 O3\n1.0\n-1.722868 2.342008 5.259702\n1.722868 -2.342008 5.259702\n1.722868 2.342008 -5.259702\nNa Tb O\n2 1 3\ndirect\n0.675249 0.675249 0.000000 Na\n0.324751 0.324751 0.000000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 O\n0.144412 0.644412 0.500000 O\n0.855588 0.355588 0.500000 O\n",
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{
"id": "mp-890",
"created_at": "2022-09-04T14:42:11.062292Z",
"structure_string": "Nd2 Ir4\n1.0\n0.000000 3.848908 3.848908\n3.848908 0.000000 3.848908\n3.848908 3.848908 0.000000\nNd Ir\n2 4\ndirect\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Nd\n0.125000 0.625000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n",
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{
"id": "mp-1217349",
"created_at": "2022-09-04T14:42:52.385590Z",
"structure_string": "Th1 Fe4 Ni1\n1.0\n2.513303 -4.353168 0.000000\n2.513303 4.353168 0.000000\n0.000000 0.000000 4.117612\nTh Fe Ni\n1 4 1\ndirect\n0.666667 0.333333 0.000000 Th\n0.663834 0.831917 0.500000 Fe\n0.168083 0.831917 0.500000 Fe\n0.168083 0.336166 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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"updated_at": "2021-11-28T01:35:54.363000Z",
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]
}