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{
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"updated_at": "2022-09-04T16:03:15.796932Z",
"structure_string": "Cr1 Cu2 H6\n1.0\n0.000000 3.084625 3.084625\n3.084625 0.000000 3.084625\n3.084625 3.084625 0.000000\nCr Cu H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.731815 0.268185 0.268185 H\n0.268185 0.731815 0.268185 H\n0.731815 0.731815 0.268185 H\n0.268185 0.268185 0.731815 H\n0.731815 0.268185 0.731815 H\n0.268185 0.731815 0.731815 H\n",
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{
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"structure_string": "Nd1 Tm2 Sb2\n1.0\n4.723713 0.000000 0.000000\n-2.361857 4.090856 0.000000\n0.000000 0.000000 8.025892\nNd Sb Tm\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.219549 Sb\n0.666667 0.333333 0.780451 Sb\n0.666667 0.333333 0.367462 Tm\n0.333333 0.666667 0.632538 Tm\n",
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"updated_at": "2022-09-04T16:03:15.793915Z",
"structure_string": "Ce2 Nd4 Mn2 O12\n1.0\n5.635830 0.000000 0.000000\n0.000000 5.965293 0.000000\n-5.424753 0.000000 8.222461\nCe Mn Nd O\n2 2 4 12\ndirect\n0.500000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.770644 0.440759 0.247836 Nd\n0.229356 0.940759 0.252164 Nd\n0.770644 0.059241 0.747836 Nd\n0.229356 0.559241 0.752164 Nd\n0.774973 0.675958 0.058389 O\n0.906726 0.215615 0.076378 O\n0.357193 0.562172 0.224463 O\n0.642807 0.062172 0.275537 O\n0.093274 0.715615 0.423622 O\n0.225027 0.175958 0.441611 O\n0.774973 0.824042 0.558389 O\n0.906726 0.284385 0.576378 O\n0.357193 0.937828 0.724463 O\n0.642807 0.437828 0.775537 O\n0.093274 0.784385 0.923622 O\n0.225027 0.324042 0.941611 O\n",
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"volume": 276.43401826752955,
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"formula_full": "Ce2 Nd4 Mn2 O12",
"formula_reduced": "CeNd2MnO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
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{
"id": "oqmd-1719811",
"created_at": "2022-09-04T16:03:15.791322Z",
"updated_at": "2022-09-04T16:03:15.791350Z",
"structure_string": "Mg2 W2 O6\n1.0\n2.700155 1.558935 4.260228\n-2.700155 1.558935 4.260228\n0.000000 -3.117870 4.260228\nMg O W\n2 6 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.380238 0.750000 0.119762 O\n0.880238 0.619762 0.250000 O\n0.750000 0.119762 0.380238 O\n0.250000 0.880238 0.619762 O\n0.119762 0.380238 0.750000 O\n0.619762 0.250000 0.880238 O\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
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{
"id": "oqmd-1743531",
"created_at": "2022-09-04T16:03:15.789204Z",
"updated_at": "2022-09-04T16:03:15.789223Z",
"structure_string": "Li2 Sn1 N2\n1.0\n3.274981 0.000000 0.000000\n-1.637491 2.836217 0.000000\n0.000000 0.000000 5.437949\nLi N Sn\n2 2 1\ndirect\n0.666667 0.333333 0.380918 Li\n0.333333 0.666667 0.619082 Li\n0.333333 0.666667 0.228661 N\n0.666667 0.333333 0.771339 N\n0.000000 0.000000 0.000000 Sn\n",
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"created_at": "2022-09-04T16:03:15.782972Z",
"updated_at": "2022-09-04T16:03:15.782989Z",
"structure_string": "Al2 Cr2 O6\n1.0\n2.515607 1.452387 4.495180\n-2.515607 1.452387 4.495180\n0.000000 -2.904773 4.495180\nAl Cr O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.750000 0.404174 0.095826 O\n0.595826 0.904174 0.250000 O\n0.095826 0.750000 0.404174 O\n0.904174 0.250000 0.595826 O\n0.404174 0.095826 0.750000 O\n0.250000 0.595826 0.904174 O\n",
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"formula_full": "Al2 Cr2 O6",
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"spacegroup": 167
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{
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"created_at": "2022-09-04T16:03:15.781733Z",
"updated_at": "2022-09-04T16:03:15.781759Z",
"structure_string": "Te2 Pt2 O6\n1.0\n2.870714 1.657407 4.655679\n-2.870714 1.657407 4.655679\n0.000000 -3.314815 4.655679\nO Pt Te\n6 2 2\ndirect\n0.389322 0.750000 0.110678 O\n0.889322 0.610678 0.250000 O\n0.750000 0.110678 0.389322 O\n0.250000 0.889322 0.610678 O\n0.110678 0.389322 0.750000 O\n0.610678 0.250000 0.889322 O\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
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"volume": 132.90871608107173,
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"formula_full": "Te2 Pt2 O6",
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"spacegroup": 167
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{
"id": "oqmd-1759266",
"created_at": "2022-09-04T16:03:15.778846Z",
"updated_at": "2022-09-04T16:03:15.778872Z",
"structure_string": "Eu4 Lu2 Ta2 O12\n1.0\n5.620699 0.000000 0.000000\n0.000000 5.772317 0.000000\n-5.607071 0.000000 8.021281\nEu Lu O Ta\n4 2 12 2\ndirect\n0.762551 0.048906 0.248904 Eu\n0.237449 0.548906 0.251096 Eu\n0.762551 0.451094 0.748904 Eu\n0.237449 0.951094 0.751096 Eu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.764523 0.804487 0.048566 O\n0.860893 0.282782 0.053566 O\n0.334733 0.968257 0.238404 O\n0.665267 0.468257 0.261596 O\n0.139107 0.782782 0.446434 O\n0.235477 0.304487 0.451434 O\n0.764523 0.695513 0.548566 O\n0.860893 0.217218 0.553566 O\n0.334733 0.531743 0.738404 O\n0.665267 0.031743 0.761596 O\n0.139107 0.717218 0.946434 O\n0.235477 0.195513 0.951434 O\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n",
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"created_at": "2022-09-04T16:03:15.771122Z",
"updated_at": "2022-09-04T16:03:15.771151Z",
"structure_string": "Eu2 H6 Pd1\n1.0\n0.000000 3.632861 3.632861\n3.632861 0.000000 3.632861\n3.632861 3.632861 0.000000\nEu H Pd\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.754575 0.245425 0.245425 H\n0.245425 0.754575 0.245425 H\n0.754575 0.754575 0.245425 H\n0.245425 0.245425 0.754575 H\n0.754575 0.245425 0.754575 H\n0.245425 0.754575 0.754575 H\n0.000000 0.000000 0.000000 Pd\n",
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"structure_string": "Tl2 Fe1 F6\n1.0\n0.000000 4.026175 4.026175\n4.026175 0.000000 4.026175\n4.026175 4.026175 0.000000\nF Fe Tl\n6 1 2\ndirect\n0.773887 0.226113 0.226113 F\n0.226113 0.773887 0.226113 F\n0.773887 0.773887 0.226113 F\n0.226113 0.226113 0.773887 F\n0.773887 0.226113 0.773887 F\n0.226113 0.773887 0.773887 F\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"structure_string": "Nd2 Si2 O6\n1.0\n-2.645126 2.645126 3.767953\n2.645126 -2.645126 3.767953\n2.645126 2.645126 -3.767953\nNd O Si\n2 6 2\ndirect\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250453 0.750453 0.000905 O\n0.249547 0.250453 0.500000 O\n0.750453 0.749547 0.500000 O\n0.749547 0.249547 0.999095 O\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n",
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"structure_string": "Mn2 Ag2 S4\n1.0\n-2.871171 2.871171 5.221593\n2.871171 -2.871171 5.221593\n2.871171 2.871171 -5.221593\nAg Mn S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000000 Mn\n0.250000 0.750000 0.500000 Mn\n0.161995 0.625000 0.036995 S\n0.875000 0.838005 0.463005 S\n0.375000 0.411995 0.536995 S\n0.588005 0.125000 0.963005 S\n",
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}