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{
"id": "jvasp-59140",
"created_at": "2022-09-04T14:38:14.727769Z",
"updated_at": "2022-09-04T14:38:14.727801Z",
"structure_string": "Dy4 Sc4 O12\n1.0\n5.435351 0.000000 0.000000\n0.000000 5.742975 0.000000\n0.000000 0.000000 7.928961\nDy Sc O\n4 4 12\ndirect\n0.980091 0.064239 0.750000 Dy\n0.480091 0.435760 0.250000 Dy\n0.519909 0.564239 0.750000 Dy\n0.019909 0.935760 0.250000 Dy\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.370150 0.944279 0.750000 O\n0.870149 0.555720 0.250000 O\n0.689900 0.306789 0.932544 O\n0.189901 0.193210 0.067456 O\n0.810099 0.806789 0.567456 O\n0.189901 0.193210 0.432544 O\n0.310099 0.693210 0.067456 O\n0.810099 0.806789 0.932544 O\n0.629850 0.055720 0.250000 O\n0.689900 0.306789 0.567456 O\n0.310099 0.693210 0.432544 O\n0.129850 0.444279 0.750000 O\n",
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{
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"structure_string": "Nd6 B6 N12\n1.0\n4.207711 -6.087256 -0.017073\n4.207711 6.087256 -0.017073\n-4.574998 0.000000 5.816289\nNd B N\n6 6 12\ndirect\n0.248169 0.703281 0.794764 Nd\n0.794764 0.248169 0.703281 Nd\n0.294764 0.203280 0.748169 Nd\n0.748169 0.294764 0.203281 Nd\n0.203280 0.748169 0.294764 Nd\n0.703281 0.794764 0.248170 Nd\n0.247292 0.366538 0.127743 B\n0.366538 0.127742 0.247292 B\n0.127742 0.247292 0.366538 B\n0.627742 0.866538 0.747293 B\n0.866538 0.747292 0.627743 B\n0.747292 0.627742 0.866539 B\n0.368899 0.246657 0.124811 N\n0.506926 0.988886 0.748038 N\n0.988886 0.748037 0.506927 N\n0.748037 0.506926 0.988887 N\n0.248037 0.488886 0.006926 N\n0.006926 0.248037 0.488886 N\n0.488886 0.006926 0.248037 N\n0.624810 0.746658 0.868900 N\n0.746658 0.868899 0.624811 N\n0.246657 0.124810 0.368899 N\n0.124810 0.368899 0.246658 N\n0.868899 0.624810 0.746658 N\n",
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{
"id": "jvasp-46735",
"created_at": "2022-09-04T14:38:02.060024Z",
"updated_at": "2022-09-04T14:38:02.060049Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.132556 0.054058 0.000000\n-0.170281 5.130015 -0.000000\n0.000000 -0.000000 6.577377\nLi Fe Si O\n2 2 2 8\ndirect\n0.308599 0.691401 0.500000 Li\n0.691402 0.308599 0.000000 Li\n0.319087 0.680913 0.000000 Fe\n0.680914 0.319087 0.500000 Fe\n0.175278 0.175278 0.250000 Si\n0.824722 0.824721 0.750000 Si\n0.139170 0.768292 0.760179 O\n0.231708 0.860830 0.239821 O\n0.317279 0.302398 0.452839 O\n0.302398 0.317278 0.047161 O\n0.697603 0.682721 0.547162 O\n0.682722 0.697602 0.952839 O\n0.768293 0.139170 0.739822 O\n0.860831 0.231708 0.260179 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.08081112730705356,
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{
"id": "jvasp-52330",
"created_at": "2022-09-04T14:37:08.059161Z",
"updated_at": "2022-09-04T14:37:08.059194Z",
"structure_string": "Sb3 O7 F1\n1.0\n3.240422 5.485899 0.000000\n-3.240422 5.485899 0.000000\n0.000000 0.000000 3.828571\nSb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.304516 0.304516 0.000000 Sb\n0.695484 0.695484 0.000000 Sb\n0.043415 0.662912 0.000000 O\n0.337088 0.956586 0.000000 O\n0.000000 0.000000 0.500000 O\n0.321799 0.321799 0.500000 O\n0.678201 0.678201 0.500000 O\n0.662912 0.043415 0.000000 O\n0.956586 0.337088 0.000000 O\n0.500000 0.500000 0.000000 F\n",
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{
"id": "jvasp-114281",
"created_at": "2022-09-04T14:38:40.136183Z",
"updated_at": "2022-09-04T14:38:40.136201Z",
"structure_string": "Ga2 N2 O2\n1.0\n-1.959881 1.959881 4.832110\n1.959881 -1.959881 4.832110\n1.959881 1.959881 -4.832110\nGa N O\n2 2 2\ndirect\n0.008884 0.008884 0.000000 Ga\n0.758884 0.258884 0.500001 Ga\n0.530473 0.030473 0.500001 N\n0.780473 0.780473 0.000000 N\n0.210722 0.210722 0.000000 O\n0.960722 0.460722 0.500001 O\n",
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},
{
"id": "jvasp-54854",
"created_at": "2022-09-04T14:37:51.990499Z",
"updated_at": "2022-09-04T14:37:51.990516Z",
"structure_string": "Dy1 B2 Rh2 C1\n1.0\n3.583273 0.000000 -1.242492\n-0.430832 3.557278 -1.242492\n0.009834 0.011097 5.816573\nDy B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.644016 0.644017 0.288033 B\n0.355983 0.355984 0.711967 B\n0.749999 0.250001 0.500000 Rh\n0.250000 0.750001 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
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},
{
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"created_at": "2022-09-04T14:37:10.170242Z",
"updated_at": "2022-09-04T14:37:10.170262Z",
"structure_string": "Y2 V4 O8\n1.0\n5.467160 -0.085830 -3.071292\n-1.433985 5.438041 -2.775148\n-0.436017 -0.230358 6.252575\nY V O\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.499999 Y\n0.362778 0.612778 0.749999 V\n0.637222 0.387223 0.250000 V\n0.500001 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.744138 0.762295 0.518257 O\n0.744037 0.225881 0.981744 O\n0.241180 0.235452 0.005637 O\n0.255863 0.237705 0.481743 O\n0.270185 0.764457 0.505635 O\n0.255963 0.774120 0.018257 O\n0.729814 0.235542 0.494363 O\n0.758821 0.764549 -0.005636 O\n",
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"volume": 173.22779617089864,
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"formula_full": "Y2 V4 O8",
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{
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"created_at": "2022-09-04T14:35:54.728090Z",
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"structure_string": "Na1 Be2 Cr1\n1.0\n2.424665 0.000000 -0.000000\n0.000000 2.424665 0.000000\n-0.000000 0.000000 8.418420\nNa Be Cr\n1 2 1\ndirect\n0.500001 0.500001 0.759161 Na\n0.000000 0.000000 0.065147 Be\n0.500001 0.500001 0.235209 Be\n0.000000 0.000000 0.440483 Cr\n",
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{
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"created_at": "2022-09-04T14:38:35.923498Z",
"updated_at": "2022-09-04T14:38:35.923526Z",
"structure_string": "Mg4 Mn4 F20\n1.0\n0.000000 5.017200 0.019349\n9.470827 0.000000 0.000000\n0.000000 -2.655927 -7.301135\nMg Mn F\n4 4 20\ndirect\n0.525481 0.012728 0.219901 Mg\n0.474519 0.512729 0.280099 Mg\n0.474518 0.987272 0.780098 Mg\n0.525480 0.487272 0.719901 Mg\n0.111822 0.759942 0.372012 Mn\n0.888177 0.259942 0.127987 Mn\n0.888177 0.240059 0.627987 Mn\n0.111822 0.740059 0.872012 Mn\n0.131059 0.102904 0.752938 F\n0.192559 0.139369 0.153487 F\n0.807441 0.639370 0.346512 F\n0.807171 0.158374 0.359489 F\n0.192558 0.360631 0.653487 F\n0.192829 0.658374 0.140511 F\n0.868940 0.602904 0.747061 F\n0.807440 0.860631 0.846512 F\n0.868940 0.897096 0.247061 F\n0.638580 0.110936 0.009778 F\n0.361419 0.889064 0.990222 F\n0.638580 0.389064 0.509777 F\n0.807170 0.341626 0.859488 F\n0.361419 0.610936 0.490222 F\n0.415992 0.619604 0.879599 F\n0.584006 0.119604 0.620400 F\n0.584007 0.380396 0.120400 F\n0.415993 0.880396 0.379599 F\n0.131059 0.397096 0.252939 F\n0.192828 0.841627 0.640511 F\n",
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{
"id": "jvasp-98590",
"created_at": "2022-09-04T14:35:48.146698Z",
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"structure_string": "Ca8 Mn4 Ga4 O20\n1.0\n5.349898 -0.000003 -0.000001\n0.000003 5.580949 0.000004\n0.000001 -0.000007 14.917796\nCa Mn Ga O\n8 4 4 20\ndirect\n0.018507 0.525284 0.608554 Ca\n0.981488 0.474717 0.108555 Ca\n0.518508 0.974717 0.608554 Ca\n0.481488 0.025284 0.108556 Ca\n0.518511 0.974716 0.891445 Ca\n0.018509 0.525284 0.891445 Ca\n0.981488 0.474717 0.391445 Ca\n0.481490 0.025283 0.391446 Ca\n0.000000 -0.000002 0.500000 Mn\n0.499999 0.499998 0.500000 Mn\n0.499998 0.499999 -0.000000 Mn\n-0.000001 0.000001 0.000000 Mn\n0.047025 0.065664 0.749999 Ga\n0.952976 0.934339 0.250001 Ga\n0.547026 0.434337 0.750000 Ga\n0.452976 0.565664 0.250000 Ga\n0.738018 0.763455 0.015059 O\n0.901914 0.379023 0.750000 O\n0.965324 0.925952 0.642124 O\n0.465325 0.574052 0.642125 O\n0.098088 0.620980 0.250001 O\n0.261981 0.236544 0.984941 O\n0.034679 0.074052 0.357876 O\n0.761981 0.263454 0.984941 O\n0.238020 0.736548 0.484940 O\n0.965323 0.925948 0.857873 O\n0.238016 0.736545 0.015059 O\n0.738021 0.763451 0.484940 O\n0.598090 0.879021 0.250001 O\n0.534677 0.425946 0.357875 O\n0.261976 0.236549 0.515060 O\n0.401914 0.120979 0.750000 O\n0.034680 0.074053 0.142128 O\n0.465326 0.574051 0.857875 O\n0.761976 0.263449 0.515058 O\n0.534676 0.425950 0.142126 O\n",
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"formula_full": "Ca8 Mn4 Ga4 O20",
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{
"id": "jvasp-73875",
"created_at": "2022-09-04T14:36:01.276293Z",
"updated_at": "2022-09-04T14:36:01.276318Z",
"structure_string": "Be1 Cd1 Co2\n1.0\n2.796807 0.000000 0.000000\n0.000000 2.796807 0.000000\n0.000000 0.000000 6.326786\nBe Cd Co\n1 1 2\ndirect\n0.000000 0.000000 0.436546 Be\n0.500001 0.500001 0.740544 Cd\n0.000000 0.000000 0.051168 Co\n0.500001 0.500001 0.271744 Co\n",
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}
]
}