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{
"id": "jvasp-85601",
"created_at": "2022-09-04T14:36:21.287133Z",
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"structure_string": "Eu1 As2 Rh2\n1.0\n3.915544 0.000065 -1.324748\n-0.446671 3.890862 -1.321802\n-0.129508 -0.150232 6.063177\nEu As Rh\n1 2 2\ndirect\n0.000801 0.001788 0.001007 Eu\n0.621216 0.622107 0.241661 As\n0.380388 0.381343 0.760303 As\n0.250787 0.751705 0.500955 Rh\n0.750820 0.251762 0.501016 Rh\n",
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{
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"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
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{
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"structure_string": "Lu1 Fe2 B2\n1.0\n3.274040 -0.000000 -1.154218\n-0.406903 3.248655 -1.154218\n-0.008728 -0.009889 5.195901\nLu Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.250001 0.750001 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.615484 0.615484 0.230967 B\n0.384517 0.384517 0.769032 B\n",
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"spacegroup": 139
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{
"id": "jvasp-101757",
"created_at": "2022-09-04T14:36:39.099712Z",
"updated_at": "2022-09-04T14:36:39.099721Z",
"structure_string": "Ba2 Fe1 N2\n1.0\n3.933283 0.000000 -1.207391\n-0.371292 3.914924 -1.209546\n-0.000718 0.003199 7.008027\nBa Fe N\n2 1 2\ndirect\n0.861362 0.861361 0.222723 Ba\n0.138638 0.138638 0.777277 Ba\n0.500000 0.500000 0.500000 Fe\n0.366805 0.366805 0.233610 N\n0.633194 0.633194 0.766390 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.5160173408524775,
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"volume": 107.92639132068446,
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"formula_full": "Ba2 Fe1 N2",
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},
{
"id": "jvasp-99587",
"created_at": "2022-09-04T14:36:39.113477Z",
"updated_at": "2022-09-04T14:36:39.113502Z",
"structure_string": "Co2 Ni1 N2\n1.0\n2.596364 -0.000259 -0.917913\n-1.460510 2.334984 0.000000\n-0.027176 -0.016998 8.190925\nCo Ni N\n2 1 2\ndirect\n0.858213 0.429107 0.144146 Co\n0.141782 0.570890 0.855853 Co\n-0.000001 -0.000000 0.500000 Ni\n0.322626 0.161313 0.741644 N\n0.677369 0.838684 0.258356 N\n",
"nsites": 5,
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"elements": [
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{
"id": "jvasp-86479",
"created_at": "2022-09-04T14:36:21.212512Z",
"updated_at": "2022-09-04T14:36:21.212542Z",
"structure_string": "Th1 Cu2 Ge2\n1.0\n3.916281 -0.000000 -1.484002\n-0.562335 3.875698 -1.484002\n0.005563 0.006429 5.924216\nTh Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500001 Cu\n0.250001 0.750001 0.500001 Cu\n0.623585 0.623584 0.247169 Ge\n0.376416 0.376416 0.752833 Ge\n",
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{
"id": "jvasp-93301",
"created_at": "2022-09-04T14:36:21.060020Z",
"updated_at": "2022-09-04T14:36:21.060047Z",
"structure_string": "Zn1 Fe2 N2\n1.0\n3.528988 0.000000 0.000000\n0.000000 3.528988 0.000000\n0.000000 0.000000 4.864512\nZn Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Zn\n0.500000 0.500000 0.985896 Fe\n0.500000 0.500000 0.514103 Fe\n0.500000 0.000000 0.510808 N\n0.000000 0.500000 0.989191 N\n",
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"formula_full": "Zn1 Fe2 N2",
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"spacegroup": 115
},
{
"id": "jvasp-92719",
"created_at": "2022-09-04T14:36:21.045778Z",
"updated_at": "2022-09-04T14:36:21.045805Z",
"structure_string": "Ti2 H2 Pd1\n1.0\n-0.000000 -2.827940 0.000000\n-2.827968 -0.000000 0.000000\n1.413984 1.413971 -6.344326\nTi H Pd\n2 2 1\ndirect\n0.342071 0.342072 0.684141 Ti\n0.657929 0.657930 0.315859 Ti\n0.809916 0.809917 0.619833 H\n0.190085 0.190085 0.380168 H\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ti2 H2 Pd1",
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"spacegroup": 139
},
{
"id": "jvasp-92584",
"created_at": "2022-09-04T14:36:21.218510Z",
"updated_at": "2022-09-04T14:36:21.218546Z",
"structure_string": "Cu1 Br2 N2\n1.0\n0.234046 0.000000 3.873134\n-3.471218 3.733911 0.130056\n-3.471218 -3.733911 0.130056\nCu Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.633612 0.265597 0.265597 Br\n0.366389 0.734403 0.734403 Br\n0.000001 0.251963 0.748038 N\n0.000001 0.748038 0.251963 N\n",
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],
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"formula_full": "Cu1 Br2 N2",
"formula_reduced": "Cu(BrN)2",
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"spacegroup": 12
},
{
"id": "jvasp-2439",
"created_at": "2022-09-04T14:36:40.030689Z",
"updated_at": "2022-09-04T14:36:40.030711Z",
"structure_string": "Nd2 Te1 O2\n1.0\n3.893646 -0.000000 -1.171931\n-0.352734 3.877636 -1.171931\n0.003148 0.003447 7.064582\nNd Te O\n2 1 2\ndirect\n0.659154 0.659154 0.318306 Nd\n0.340849 0.340848 0.681695 Nd\n0.000000 0.000000 0.000000 Te\n0.250002 0.750001 0.500000 O\n0.750001 0.250001 0.500000 O\n",
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"spacegroup": 139
},
{
"id": "jvasp-101422",
"created_at": "2022-09-04T14:36:39.347662Z",
"updated_at": "2022-09-04T14:36:39.347699Z",
"structure_string": "Pr4 Cd2 Rh4\n1.0\n7.673496 0.000000 -0.000000\n0.000000 7.673496 -0.000000\n-0.000000 -0.000000 3.932548\nPr Cd Rh\n4 2 4\ndirect\n0.668920 0.168919 0.500000 Pr\n0.331081 0.831081 0.500000 Pr\n0.168919 0.331081 0.500000 Pr\n0.831081 0.668920 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.132949 0.632950 0.000000 Rh\n0.867051 0.367051 0.000000 Rh\n0.632950 0.867051 0.000000 Rh\n0.367051 0.132949 0.000000 Rh\n",
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"formula_full": "Pr4 Cd2 Rh4",
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},
{
"id": "jvasp-15201",
"created_at": "2022-09-04T14:36:21.018362Z",
"updated_at": "2022-09-04T14:36:21.018390Z",
"structure_string": "Yb1 Si2 Ru2\n1.0\n3.920054 0.000000 -1.574104\n-0.632084 3.868759 -1.574104\n-0.035795 -0.042118 5.579045\nYb Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.633712 0.633713 0.267426 Si\n0.366286 0.366287 0.732574 Si\n0.749999 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
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}
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