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{
"id": "jvasp-108172",
"created_at": "2022-09-04T14:35:53.630750Z",
"updated_at": "2022-09-04T14:35:53.630767Z",
"structure_string": "Ba2 Fe4 N4\n1.0\n4.298575 0.000000 4.645200\n4.298575 4.298575 0.000000\n-0.000000 -0.000000 9.290400\nBa Fe N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.730994 0.500001 0.634504 Fe\n0.269005 0.500001 0.365497 Fe\n0.269006 0.230994 0.865497 Fe\n0.730993 0.769007 0.134504 Fe\n0.680549 0.500001 0.159725 N\n0.319449 0.500001 0.840275 N\n0.319450 0.180550 0.340275 N\n0.680549 0.819451 0.659726 N\n",
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{
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"structure_string": "Ce1 Al2 Ge2\n1.0\n2.147980 -3.720411 -0.000000\n2.147980 3.720411 0.000000\n0.000000 -0.000000 6.843254\nCe Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.356461 Al\n0.333333 0.666667 0.643538 Al\n0.666667 0.333333 0.735662 Ge\n0.333333 0.666667 0.264338 Ge\n",
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{
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"structure_string": "Y1 Si2 Pd2\n1.0\n4.169641 -0.000000 -0.000000\n-0.000000 4.169641 -0.000000\n-2.084820 -2.084820 4.982960\nY Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617121 0.617121 0.234243 Si\n0.382879 0.382879 0.765757 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"formula_full": "Y1 Si2 Pd2",
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},
{
"id": "jvasp-71796",
"created_at": "2022-09-04T14:35:55.915184Z",
"updated_at": "2022-09-04T14:35:55.915209Z",
"structure_string": "Hf1 Be2 Sb2\n1.0\n-1.844230 1.844230 6.855124\n1.844230 -1.844230 6.855124\n1.844230 1.844230 -6.855124\nHf Be Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.623440 0.623440 0.000000 Sb\n0.376560 0.376560 0.000000 Sb\n",
"nsites": 5,
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"volume": 93.26216029872728,
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"formula_full": "Hf1 Be2 Sb2",
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"spacegroup": 139
},
{
"id": "jvasp-92411",
"created_at": "2022-09-04T14:35:47.662981Z",
"updated_at": "2022-09-04T14:35:47.663009Z",
"structure_string": "Zr1 Fe2 Si2\n1.0\n3.627243 0.000000 -1.312653\n-0.475032 3.596003 -1.312653\n-0.093102 -0.106210 5.410621\nZr Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.749999 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.371552 0.371551 0.743104 Si\n0.628448 0.628448 0.256897 Si\n",
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"elements": [
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"density_atomic": 0.07187785531518473,
"volume": 69.56245394461169,
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},
{
"id": "jvasp-92709",
"created_at": "2022-09-04T14:35:54.122739Z",
"updated_at": "2022-09-04T14:35:54.122758Z",
"structure_string": "Ba1 Co2 Ge2\n1.0\n4.028813 -0.000000 -0.000000\n-0.000000 4.028813 -0.000000\n-2.014406 -2.014406 6.127393\nBa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.249999 0.749999 0.500000 Co\n0.749999 0.249999 0.500000 Co\n0.654223 0.654223 0.308446 Ge\n0.345775 0.345775 0.691554 Ge\n",
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},
{
"id": "jvasp-91507",
"created_at": "2022-09-04T14:35:53.315500Z",
"updated_at": "2022-09-04T14:35:53.315532Z",
"structure_string": "Na12 Mn6 O12\n1.0\n5.768753 0.003632 2.103754\n3.048063 8.100801 0.371704\n0.029413 0.028556 8.663149\nNa Mn O\n12 6 12\ndirect\n0.249999 0.938699 0.061300 Na\n0.749999 0.061301 0.938699 Na\n0.735912 0.400390 0.997360 Na\n0.764086 0.002640 0.599610 Na\n0.229633 0.323560 0.466913 Na\n0.770366 0.676441 0.533087 Na\n0.264086 0.599610 0.002640 Na\n0.729632 0.466913 0.323559 Na\n0.270366 0.533087 0.676440 Na\n0.749999 0.800477 0.199522 Na\n0.235912 0.997360 0.400390 Na\n0.249999 0.199523 0.800477 Na\n0.755937 0.129826 0.292526 Mn\n0.244061 0.870174 0.707474 Mn\n0.249999 0.678462 0.321538 Mn\n0.255938 0.292526 0.129826 Mn\n0.744061 0.707474 0.870174 Mn\n0.749999 0.321538 0.678462 Mn\n0.467848 0.328302 0.897390 O\n0.515711 0.890948 0.781189 O\n0.598012 0.279636 0.515742 O\n0.984287 0.218810 0.109051 O\n0.901986 0.484258 0.720364 O\n0.015711 0.781190 0.890948 O\n0.032150 0.102611 0.671698 O\n0.098013 0.515742 0.279636 O\n0.484288 0.109052 0.218810 O\n0.401986 0.720364 0.484258 O\n0.532150 0.671698 0.102610 O\n0.967848 0.897389 0.328302 O\n",
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],
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"density": 3.2749395739900153,
"density_atomic": 0.07419005307564304,
"volume": 404.36687610146953,
"volume_molar": 8.117180821881766,
"formula_full": "Na12 Mn6 O12",
"formula_reduced": "Na2MnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3373564482758615,
"spacegroup": 15
},
{
"id": "jvasp-85899",
"created_at": "2022-09-04T14:35:48.673242Z",
"updated_at": "2022-09-04T14:35:48.673270Z",
"structure_string": "Nd1 Cu2 Ge2\n1.0\n3.916471 -0.000000 -1.415058\n-0.511274 3.882955 -1.415058\n-0.073535 -0.083853 5.923833\nNd Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.622709 0.622710 0.245415 Ge\n0.377293 0.377293 0.754585 Ge\n",
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"formula_full": "Nd1 Cu2 Ge2",
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},
{
"id": "jvasp-92416",
"created_at": "2022-09-04T14:35:55.755806Z",
"updated_at": "2022-09-04T14:35:55.755834Z",
"structure_string": "Sr1 Cr2 As2\n1.0\n3.889144 -0.000000 -1.118323\n-0.321573 3.875826 -1.118323\n-0.151159 -0.164220 6.796037\nSr Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750001 0.500001 Cr\n0.749999 0.250000 0.500001 Cr\n0.360985 0.360985 0.721971 As\n0.639015 0.639016 0.278031 As\n",
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"formula_full": "Sr1 Cr2 As2",
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"spacegroup": 139
},
{
"id": "jvasp-98211",
"created_at": "2022-09-04T14:35:50.714175Z",
"updated_at": "2022-09-04T14:35:50.714199Z",
"structure_string": "La4 In2 Rh4\n1.0\n3.960322 -0.000000 0.000000\n0.000000 7.724681 0.000000\n0.000000 0.000000 7.724681\nLa In Rh\n4 2 4\ndirect\n0.500000 0.330843 0.169157 La\n0.500000 0.169157 0.669157 La\n0.500000 0.669157 0.830842 La\n0.500000 0.830842 0.330843 La\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.635667 0.135668 Rh\n0.000000 0.864332 0.635667 Rh\n0.000000 0.135668 0.364332 Rh\n0.000000 0.364332 0.864332 Rh\n",
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"formula_full": "La4 In2 Rh4",
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},
{
"id": "jvasp-92439",
"created_at": "2022-09-04T14:35:48.393176Z",
"updated_at": "2022-09-04T14:35:48.393200Z",
"structure_string": "Np1 O2 F2\n1.0\n3.836105 -0.053125 4.097334\n1.583495 3.494435 4.097334\n-0.083665 -0.053125 5.612206\nNp O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.883174 0.883178 0.883171 O\n0.116826 0.116826 0.116825 O\n0.336647 0.336649 0.336646 F\n0.663352 0.663355 0.663350 F\n",
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},
{
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"created_at": "2022-09-04T14:35:55.637585Z",
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"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476422 -0.000000 -1.186928\n0.000000 7.146663 0.000000\n-0.011350 0.000000 8.991926\nYb Cd Sb\n4 2 4\ndirect\n0.479539 0.718562 0.959080 Yb\n0.520460 0.218563 0.040921 Yb\n0.697429 0.533748 0.394858 Yb\n0.302571 0.033748 0.605142 Yb\n0.901971 0.396199 0.803944 Cd\n0.098029 0.896199 0.196057 Cd\n0.319931 0.514608 0.639863 Sb\n0.680068 0.014608 0.360137 Sb\n0.069373 0.494392 0.138747 Sb\n0.930626 0.994392 0.861253 Sb\n",
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}