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{
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{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
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{
"id": "jvasp-123653",
"created_at": "2022-09-04T14:38:52.465480Z",
"updated_at": "2022-09-04T14:38:52.465506Z",
"structure_string": "Se2 Cl1\n1.0\n1.899876 -3.501769 -0.076548\n2.082684 3.607313 -0.000000\n-0.069966 0.040395 5.253621\nSe Cl\n2 1\ndirect\n0.713904 0.690273 0.541355 Se\n0.286096 -0.023630 0.791977 Se\n-0.000000 0.333354 0.166667 Cl\n",
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{
"id": "jvasp-120201",
"created_at": "2022-09-04T14:38:53.140795Z",
"updated_at": "2022-09-04T14:38:53.140824Z",
"structure_string": "Ga2 P1\n1.0\n3.814290 0.000000 0.000000\n0.000000 2.670835 0.000000\n0.000000 0.000000 6.076894\nGa P\n2 1\ndirect\n-0.033338 0.000000 0.722276 Ga\n-0.033338 0.000000 0.277724 Ga\n0.466677 0.000000 0.000000 P\n",
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"volume": 61.907380655816944,
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"formula_full": "Ga2 P1",
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{
"id": "jvasp-121111",
"created_at": "2022-09-04T14:38:53.781913Z",
"updated_at": "2022-09-04T14:38:53.781942Z",
"structure_string": "Hf1 Se2\n1.0\n3.691985 0.000000 0.000000\n0.000000 3.186043 0.000000\n0.000000 0.000000 7.503970\nHf Se\n1 2\ndirect\n0.466679 0.000000 0.000000 Hf\n-0.033340 0.000000 0.748609 Se\n-0.033340 0.000000 0.251391 Se\n",
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"volume": 88.26787064733496,
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"formula_full": "Hf1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-121121",
"created_at": "2022-09-04T14:38:49.942424Z",
"updated_at": "2022-09-04T14:38:49.942439Z",
"structure_string": "I1 F2\n1.0\n4.589228 0.003867 0.595015\n-1.792100 -4.241025 -0.973095\n-0.134957 -2.800092 -3.244916\nI F\n1 2\ndirect\n0.097479 0.127460 0.895581 I\n0.790632 0.066144 0.258771 F\n0.404244 0.188689 0.532394 F\n",
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"elements": [
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"density": 5.139874698478934,
"density_atomic": 0.05631196363565458,
"volume": 53.27464727407437,
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"formula_full": "I1 F2",
"formula_reduced": "IF2",
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"spacegroup": 12
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{
"id": "jvasp-123650",
"created_at": "2022-09-04T14:38:52.448890Z",
"updated_at": "2022-09-04T14:38:52.448918Z",
"structure_string": "Ca1 Se2\n1.0\n2.385590 -3.907934 -1.001012\n2.191577 3.795921 -0.000001\n-1.159992 0.669721 5.514774\nCa Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Ca\n0.804720 0.735684 0.428224 Se\n0.195280 -0.069037 0.905109 Se\n",
"nsites": 3,
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"elements": [
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"density": 3.601382648053306,
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"volume": 91.29366308420117,
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"formula_full": "Ca1 Se2",
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},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
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"spacegroup": 2
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{
"id": "jvasp-117701",
"created_at": "2022-09-04T14:38:52.951587Z",
"updated_at": "2022-09-04T14:38:52.951622Z",
"structure_string": "Be1 S2\n1.0\n3.479537 -0.767928 0.236691\n0.449762 -4.571719 -0.559342\n-0.476235 -0.704272 -3.468761\nBe S\n1 2\ndirect\n0.005791 0.824830 0.077285 Be\n0.617310 0.565632 0.081879 S\n0.000159 0.084418 0.465143 S\n",
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"formula_full": "Be1 S2",
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"spacegroup": 5
},
{
"id": "jvasp-120372",
"created_at": "2022-09-04T14:38:53.805858Z",
"updated_at": "2022-09-04T14:38:53.805879Z",
"structure_string": "As1 C2\n1.0\n5.511094 0.000000 0.000000\n0.000000 2.824053 0.000000\n0.000000 0.000000 2.589539\nAs C\n1 2\ndirect\n0.466631 0.000000 0.000000 As\n-0.033316 0.000000 0.749449 C\n-0.033316 0.000000 0.250550 C\n",
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"elements": [
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"spacegroup": 47
},
{
"id": "jvasp-121332",
"created_at": "2022-09-04T14:38:50.179562Z",
"updated_at": "2022-09-04T14:38:50.179580Z",
"structure_string": "N16 F8\n1.0\n4.120425 0.000000 0.000000\n0.000000 8.013652 0.000000\n-0.000000 0.000000 12.832996\nN F\n16 8\ndirect\n-0.062935 0.374211 0.444627 N\n0.430186 0.247500 0.276464 N\n0.069815 0.752500 0.776464 N\n0.569815 0.747500 0.223536 N\n-0.069815 0.252500 0.723536 N\n0.980941 0.510595 0.448455 N\n0.480940 0.989404 0.551545 N\n0.019061 0.010596 0.051545 N\n0.519061 0.489404 0.948456 N\n0.538193 0.151709 0.224531 N\n0.038193 0.348291 0.775469 N\n0.461808 0.651709 0.275469 N\n0.437066 0.125789 0.555373 N\n0.062935 0.874211 0.055373 N\n0.562935 0.625789 0.944627 N\n0.961808 0.848291 0.724532 N\n0.015725 0.494256 0.124973 F\n0.009037 0.324909 0.086264 F\n0.490964 0.675090 0.586264 F\n0.990965 0.824909 0.413736 F\n0.509037 0.175091 0.913736 F\n-0.015725 -0.005744 0.375027 F\n0.515725 0.005744 0.875027 F\n0.484276 0.505744 0.624973 F\n",
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{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
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"formula_full": "Tm8 Br16",
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{
"id": "jvasp-119965",
"created_at": "2022-09-04T14:38:53.693055Z",
"updated_at": "2022-09-04T14:38:53.693091Z",
"structure_string": "Ba2 Se1\n1.0\n4.375748 0.000000 0.000000\n0.000000 4.350010 0.000000\n0.000000 0.000000 8.590403\nBa Se\n2 1\ndirect\n-0.033328 0.000000 0.740880 Ba\n-0.033328 0.000000 0.259120 Ba\n0.466657 0.000000 0.000000 Se\n",
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