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{
"id": "jvasp-114539",
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"updated_at": "2022-09-04T14:38:41.609872Z",
"structure_string": "Ba1 Br1 N1\n1.0\n4.569725 0.000000 -0.000000\n0.000000 4.569725 0.000000\n-0.000000 -0.000000 7.206624\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.304843 Ba\n0.000000 0.000000 0.735197 Br\n0.000000 0.000000 -0.010316 N\n",
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{
"id": "jvasp-114538",
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"structure_string": "Ba1 Br1 N1\n1.0\n5.258697 -0.000000 0.000000\n-2.629348 4.554165 -0.000000\n-0.000000 0.000000 4.622364\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:37:27.439851Z",
"updated_at": "2022-09-04T14:37:27.439875Z",
"structure_string": "Ba2 Br1 N1\n1.0\n-2.074814 -3.593685 -0.000000\n-4.149629 0.000000 -0.000000\n-2.074814 -1.197894 -7.920803\nBa Br N\n2 1 1\ndirect\n0.229109 0.229110 0.312671 Ba\n0.770889 0.770890 0.687329 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.500000 0.500000 N\n",
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"volume": 118.11865388846357,
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"formula_full": "Ba2 Br1 N1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-114540",
"created_at": "2022-09-04T14:38:42.386960Z",
"updated_at": "2022-09-04T14:38:42.386996Z",
"structure_string": "Ba2 Br1 N1\n1.0\n2.074898 1.197943 7.933309\n-2.074898 1.197943 7.933309\n-0.000000 -2.395886 7.933309\nBa Br N\n2 1 1\ndirect\n0.228965 0.228965 0.228966 Ba\n0.771033 0.771033 0.771036 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.499999 0.500001 N\n",
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"density": 5.172783572984277,
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"volume": 118.31465095815432,
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"formula_full": "Ba2 Br1 N1",
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"spacegroup": 166
},
{
"id": "jvasp-63938",
"created_at": "2022-09-04T14:36:06.429775Z",
"updated_at": "2022-09-04T14:36:06.429804Z",
"structure_string": "Ba1 Na1 Br1\n1.0\n0.000000 4.090724 4.090724\n4.090724 -0.000000 4.090724\n4.090724 4.090724 -0.000000\nBa Na Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Br\n",
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"density": 2.9135945691242378,
"density_atomic": 0.021912439134415124,
"volume": 136.90853773043804,
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"formula_full": "Ba1 Na1 Br1",
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"spacegroup": 216
},
{
"id": "jvasp-65734",
"created_at": "2022-09-04T14:35:43.646147Z",
"updated_at": "2022-09-04T14:35:43.646176Z",
"structure_string": "Ba1 Nb1 Br2\n1.0\n3.776588 0.000000 0.000000\n0.000000 3.777940 0.000000\n0.000000 0.000000 7.766790\nBa Nb Br\n1 1 2\ndirect\n0.500000 0.500000 0.756261 Ba\n0.000000 0.000000 0.413107 Nb\n0.000000 0.000000 0.015743 Br\n0.500000 0.500000 0.314890 Br\n",
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"formula_full": "Ba1 Nb1 Br2",
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"spacegroup": 99
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{
"id": "jvasp-68944",
"created_at": "2022-09-04T14:36:21.095645Z",
"updated_at": "2022-09-04T14:36:21.095673Z",
"structure_string": "Ba2 Nb1 Br1\n1.0\n-0.000000 4.173388 4.173388\n4.173388 -0.000000 4.173388\n4.173388 4.173388 -0.000000\nBa Nb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba2 Nb1 Br1",
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"spacegroup": 225
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{
"id": "jvasp-66342",
"created_at": "2022-09-04T14:36:01.124200Z",
"updated_at": "2022-09-04T14:36:01.124219Z",
"structure_string": "Ba1 Nb1 Br1\n1.0\n0.000000 3.975575 3.975575\n3.975575 0.000000 3.975575\n3.975575 3.975575 0.000000\nBa Nb Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba1 Nb1 Br1",
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"spacegroup": 216
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{
"id": "jvasp-64872",
"created_at": "2022-09-04T14:38:18.576805Z",
"updated_at": "2022-09-04T14:38:18.576835Z",
"structure_string": "Ba4 Nb1 Br1\n1.0\n0.000000 5.085319 5.085319\n5.085319 -0.000000 5.085319\n5.085319 5.085319 -0.000000\nBa Nb Br\n4 1 1\ndirect\n0.123870 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123870 0.625377 Ba\n0.625377 0.625377 0.123870 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Br\n",
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"formula_full": "Ba4 Nb1 Br1",
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{
"id": "jvasp-64784",
"created_at": "2022-09-04T14:35:47.104767Z",
"updated_at": "2022-09-04T14:35:47.104799Z",
"structure_string": "Ba4 Ni1 Br1\n1.0\n-0.000000 5.732542 5.732542\n5.732542 -0.000000 5.732542\n5.732542 5.732542 -0.000000\nBa Ni Br\n4 1 1\ndirect\n0.124263 0.625245 0.625245 Ba\n0.625245 0.625245 0.625245 Ba\n0.625245 0.124263 0.625245 Ba\n0.625245 0.625245 0.124263 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Br\n",
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{
"id": "jvasp-69203",
"created_at": "2022-09-04T14:35:43.236311Z",
"updated_at": "2022-09-04T14:35:43.236334Z",
"structure_string": "Ba1 Ni2 Br1\n1.0\n-2.139371 2.139371 5.616043\n2.139371 -2.139371 5.616043\n2.139371 2.139371 -5.616043\nBa Ni Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.750000 0.250000 0.500000 Br\n",
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{
"id": "jvasp-69170",
"created_at": "2022-09-04T14:36:04.604394Z",
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"structure_string": "Ba1 Ni2 Br1\n1.0\n4.266362 0.000000 0.000000\n-0.000000 4.315599 0.000000\n0.000000 0.000000 6.268163\nBa Ni Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.824720 Ni\n0.000000 0.000000 0.175280 Ni\n0.500000 0.500000 0.500000 Br\n",
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}