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{
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{
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{
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"structure_string": "Nd3 Mg1\n1.0\n5.046084 0.000000 0.000000\n0.000000 5.046084 0.000000\n0.000000 0.000000 5.046084\nNd Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 128.4882538960463,
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"formula_full": "Nd3 Mg1",
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},
{
"id": "mp-1218297",
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"structure_string": "Sr2 Fe2 O4 F2\n1.0\n3.931479 4.029511 0.000000\n-3.931479 4.029511 0.000000\n0.000000 4.005568 4.055267\nSr Fe O F\n2 2 4 2\ndirect\n0.253938 0.253938 0.511979 Sr\n0.746062 0.746062 0.488021 Sr\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.688065 0.688065 0.093846 O\n0.311935 0.311935 0.906154 O\n0.231603 0.768397 0.000000 O\n0.768397 0.231603 0.000000 O\n0.799864 0.200136 0.500000 F\n0.200136 0.799864 0.500000 F\n",
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"volume": 128.48657577542278,
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"formula_full": "Sr2 Fe2 O4 F2",
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{
"id": "mp-1039167",
"created_at": "2022-09-04T14:43:04.869163Z",
"structure_string": "Ca2 Mg2\n1.0\n3.692641 0.000000 0.000000\n0.000000 5.809565 0.000000\n0.000000 0.000000 5.989297\nCa Mg\n2 2\ndirect\n0.000000 0.000000 0.093221 Ca\n0.500000 0.500000 0.906779 Ca\n0.500000 0.000000 0.584969 Mg\n0.000000 0.500000 0.415031 Mg\n",
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"density": 1.664154908159112,
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"volume": 128.4862198834268,
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"formula_full": "Ca2 Mg2",
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"spacegroup": 59
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{
"id": "mp-1218186",
"created_at": "2022-09-04T14:40:56.291462Z",
"structure_string": "Sr1 Mn1 Te1 O6\n1.0\n2.584448 -4.476395 0.000000\n2.584448 4.476395 0.000000\n0.000000 0.000000 5.552823\nSr Mn Te O\n1 1 1 6\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Mn\n0.000000 0.000000 0.500000 Te\n0.666046 0.904094 0.280282 O\n0.238048 0.333954 0.280282 O\n0.095906 0.761952 0.280282 O\n0.666046 0.904094 0.719718 O\n0.238048 0.333954 0.719718 O\n0.095906 0.761952 0.719718 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Mn-O-Sr-Te",
"density": 4.732312130986709,
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"volume": 128.4813307961086,
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"formula_full": "Sr1 Mn1 Te1 O6",
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"formula_anonymous": "ABCD6",
"energy": -61.05191607,
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"updated_at": "2021-11-28T01:34:59.895000Z",
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{
"id": "mp-978535",
"created_at": "2022-09-04T14:41:27.908794Z",
"structure_string": "Sm1 Dy3\n1.0\n-2.522046 2.522046 5.049701\n2.522046 -2.522046 5.049701\n2.522046 2.522046 -5.049701\nSm Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
"nsites": 4,
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"density": 8.244091513829424,
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"volume": 128.47885631117597,
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"formula_full": "Sm1 Dy3",
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{
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"created_at": "2022-09-04T14:42:59.299767Z",
"structure_string": "Ge4 Ir4\n1.0\n3.578637 0.000000 0.000000\n0.000000 5.628255 0.000000\n0.000000 0.000000 6.378454\nGe Ir\n4 4\ndirect\n0.750000 0.806696 0.576158 Ge\n0.250000 0.193304 0.423842 Ge\n0.750000 0.306696 0.923842 Ge\n0.250000 0.693304 0.076158 Ge\n0.750000 0.997066 0.208742 Ir\n0.250000 0.002934 0.791258 Ir\n0.750000 0.497066 0.291258 Ir\n0.250000 0.502934 0.708742 Ir\n",
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"volume": 128.47151380367958,
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"formula_full": "Ge4 Ir4",
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{
"id": "mp-1394387",
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"structure_string": "Mg2 Ni3 O8\n1.0\n2.833441 5.026762 0.000000\n-2.833441 5.026762 0.000000\n0.000000 1.602382 4.509928\nMg Ni O\n2 3 8\ndirect\n0.719802 0.719802 0.350628 Mg\n0.280198 0.280198 0.649372 Mg\n0.000000 0.000000 0.500000 Ni\n0.745167 0.254833 0.000000 Ni\n0.254833 0.745167 0.000000 Ni\n0.390252 0.390252 0.945581 O\n0.609748 0.609748 0.054419 O\n0.896897 0.896897 0.909443 O\n0.103103 0.103103 0.090557 O\n0.337741 0.887851 0.602784 O\n0.887851 0.337741 0.602784 O\n0.112149 0.662259 0.397216 O\n0.662259 0.112149 0.397216 O\n",
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{
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{
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},
{
"id": "mp-1114239",
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"structure_string": "Na2 Li1 Ir1 F6\n1.0\n0.000000 4.004814 4.004814\n4.004814 0.000000 4.004814\n4.004814 4.004814 0.000000\nNa Li Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ir\n0.747678 0.252322 0.252322 F\n0.252322 0.252322 0.747678 F\n0.252322 0.747678 0.747678 F\n0.252322 0.747678 0.252322 F\n0.747678 0.252322 0.747678 F\n0.747678 0.747678 0.252322 F\n",
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]
}