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{
"id": "mp-1220",
"created_at": "2022-09-04T14:42:23.964388Z",
"structure_string": "Be5 Au1\n1.0\n0.000000 3.059752 3.059752\n3.059752 0.000000 3.059752\n3.059752 3.059752 0.000000\nBe Au\n5 1\ndirect\n0.375357 0.375357 0.375357 Be\n0.750000 0.750000 0.750000 Be\n0.375357 0.873928 0.375357 Be\n0.375357 0.375357 0.873928 Be\n0.873928 0.375357 0.375357 Be\n0.000000 0.000000 0.000000 Au\n",
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{
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{
"id": "mp-759",
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"structure_string": "La4 Sb2\n1.0\n-2.323621 2.323621 9.150147\n2.323621 -2.323621 9.150147\n2.323621 2.323621 -9.150147\nLa Sb\n4 2\ndirect\n0.320527 0.320527 0.000000 La\n0.679473 0.679473 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.862913 0.862913 0.000000 Sb\n0.137087 0.137087 0.000000 Sb\n",
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"formula_full": "La4 Sb2",
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"spacegroup": 139
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{
"id": "mp-1221983",
"created_at": "2022-09-04T14:42:17.908144Z",
"structure_string": "Mg1 Mn1 Ni2 Sb2\n1.0\n-3.071271 -3.071271 0.000000\n0.000000 3.071271 -3.071271\n3.116996 -3.116996 -6.188268\nMg Mn Ni Sb\n1 1 2 2\ndirect\n0.996937 0.993873 0.009190 Mg\n0.502330 0.004660 0.493010 Mn\n0.247455 0.494911 0.257634 Ni\n0.750829 0.501658 0.747513 Ni\n0.870848 0.741696 0.387455 Sb\n0.381601 0.763202 0.855197 Sb\n",
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"formula_full": "Mg1 Mn1 Ni2 Sb2",
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"formula_anonymous": "ABC2D2",
"energy": -30.60380473,
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"spacegroup": 160
},
{
"id": "mp-13240",
"created_at": "2022-09-04T14:42:12.072709Z",
"structure_string": "Sc1 In1 Cu4\n1.0\n0.000000 3.539247 3.539247\n3.539247 0.000000 3.539247\n3.539247 3.539247 0.000000\nSc In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 In\n0.625203 0.625203 0.625203 Cu\n0.124390 0.625203 0.625203 Cu\n0.625203 0.124390 0.625203 Cu\n0.625203 0.625203 0.124390 Cu\n",
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"volume": 88.66712227361725,
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"formula_full": "Sc1 In1 Cu4",
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"energy": -27.04178079,
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"spacegroup": 216
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{
"id": "mp-30621",
"created_at": "2022-09-04T14:41:06.641730Z",
"structure_string": "Dy1 Si2 Rh3\n1.0\n2.768849 -4.795787 0.000000\n2.768849 4.795787 0.000000\n0.000000 0.000000 3.680425\nDy Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"volume": 97.74332887677296,
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"formula_full": "Dy1 Si2 Rh3",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:16.093000Z",
"spacegroup": 191
},
{
"id": "mp-1219859",
"created_at": "2022-09-04T14:41:11.342887Z",
"structure_string": "Pr2 Fe1 Si2 Ru1\n1.0\n4.160937 0.000000 0.000000\n0.000000 4.160937 0.000000\n0.000000 0.000000 7.047710\nPr Fe Si Ru\n2 1 2 1\ndirect\n0.500000 0.000000 0.318310 Pr\n0.000000 0.500000 0.681690 Pr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.832763 Si\n0.000000 0.500000 0.167237 Si\n0.500000 0.500000 0.000000 Ru\n",
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"volume": 122.01979918319729,
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"formula_full": "Pr2 Fe1 Si2 Ru1",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 115
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{
"id": "mp-973307",
"created_at": "2022-09-04T14:41:10.215757Z",
"structure_string": "Mg5 As1\n1.0\n1.572219 5.833805 0.000000\n-1.572219 5.833805 0.000000\n0.000000 2.126991 7.116804\nMg As\n5 1\ndirect\n0.288197 0.288197 0.938466 Mg\n0.667425 0.667425 0.675452 Mg\n0.952033 0.952033 0.582153 Mg\n0.314471 0.314471 0.330830 Mg\n0.004333 0.004333 0.021121 Mg\n0.606878 0.606878 0.285311 As\n",
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"density": 2.4986973972850848,
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"volume": 130.55092391546822,
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"formula_full": "Mg5 As1",
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"spacegroup": 8
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{
"id": "mp-1209831",
"created_at": "2022-09-04T14:41:06.560476Z",
"structure_string": "Nd2 Fe1 As2 O1\n1.0\n3.314495 0.000000 0.000000\n0.000000 3.314495 0.000000\n0.000000 0.000000 15.291451\nNd Fe As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.637499 Nd\n0.500000 0.500000 0.362501 Nd\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.159446 As\n0.500000 0.500000 0.840554 As\n0.500000 0.500000 0.500000 O\n",
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"volume": 167.99000144351166,
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{
"id": "mp-1018709",
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"structure_string": "Hf2 Ga1 Sb3\n1.0\n3.933044 0.000000 0.000000\n0.000000 3.933044 0.000000\n0.000000 0.000000 8.704306\nHf Ga Sb\n2 1 3\ndirect\n0.500000 0.000000 0.739227 Hf\n0.000000 0.500000 0.260773 Hf\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.384198 Sb\n0.000000 0.500000 0.615802 Sb\n0.000000 0.000000 0.000000 Sb\n",
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{
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"formula_full": "Yb2 Cd2 In2",
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{
"id": "mp-1039028",
"created_at": "2022-09-04T14:41:11.169086Z",
"structure_string": "Ca1 Mg5\n1.0\n1.650216 -2.858258 0.000000\n1.650216 2.858258 0.000000\n0.000000 0.000000 16.459998\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.824062 Mg\n0.000000 0.000000 0.662758 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.337242 Mg\n0.666667 0.333333 0.175938 Mg\n",
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"volume": 155.2751634493534,
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"formula_full": "Ca1 Mg5",
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"energy": -9.4935955,
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]
}