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{
"id": "jvasp-115703",
"created_at": "2022-09-04T14:38:46.660362Z",
"updated_at": "2022-09-04T14:38:46.660396Z",
"structure_string": "Li4 Br1 N1\n1.0\n1.848632 1.067308 6.793782\n-1.848632 1.067308 6.793782\n-0.000000 -2.134617 6.793782\nLi Br N\n4 1 1\ndirect\n0.907038 0.907038 0.907038 Li\n0.092963 0.092963 0.092963 Li\n0.656802 0.656802 0.656802 Li\n0.343198 0.343198 0.343198 Li\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Li4 Br1 N1",
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{
"id": "jvasp-115704",
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"structure_string": "Li1 Br1 O1\n1.0\n5.810529 2.173510 0.000000\n2.574261 3.799496 0.000000\n0.000000 0.000000 3.906782\nLi Br O\n1 1 1\ndirect\n0.423391 -0.054681 0.000000 Li\n-0.096361 -0.041970 0.000000 Br\n-0.055004 0.315398 0.000000 O\n",
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"formula_full": "Li1 Br1 O1",
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{
"id": "jvasp-115706",
"created_at": "2022-09-04T14:38:46.732592Z",
"updated_at": "2022-09-04T14:38:46.732608Z",
"structure_string": "Li1 P1 Br1\n1.0\n4.888900 0.000000 0.000000\n-2.444450 4.233911 -0.000000\n0.000000 -0.000000 3.184208\nLi P Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Li\n0.666667 0.333334 0.000000 P\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"volume": 65.91045470831108,
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"formula_full": "Li1 P1 Br1",
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"spacegroup": 187
},
{
"id": "jvasp-115707",
"created_at": "2022-09-04T14:38:44.732888Z",
"updated_at": "2022-09-04T14:38:44.732914Z",
"structure_string": "Li1 P1 Br1\n1.0\n3.188484 -0.000000 0.000000\n0.000000 3.188484 -0.000000\n-0.000000 -0.000000 7.331224\nLi P Br\n1 1 1\ndirect\n0.000000 0.000000 0.663340 Li\n0.000000 0.000000 0.001014 P\n0.000000 0.000000 0.339979 Br\n",
"nsites": 3,
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"elements": [
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"density": 2.624935154384673,
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"volume": 74.53237721040362,
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"formula_full": "Li1 P1 Br1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-115708",
"created_at": "2022-09-04T14:38:47.595271Z",
"updated_at": "2022-09-04T14:38:47.595296Z",
"structure_string": "Li4 P1 Br1\n1.0\n2.064688 1.192048 7.114922\n-2.064688 1.192048 7.114922\n0.000000 -2.384097 7.114922\nLi P Br\n4 1 1\ndirect\n0.891627 0.891627 0.891627 Li\n0.108373 0.108373 0.108373 Li\n0.646133 0.646133 0.646133 Li\n0.353867 0.353867 0.353867 Li\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 Br\n",
"nsites": 6,
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"elements": [
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"formula_full": "Li4 P1 Br1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-11571",
"created_at": "2022-09-04T14:37:19.997507Z",
"updated_at": "2022-09-04T14:37:19.997524Z",
"structure_string": "Mn3 Zn2 O8\n1.0\n4.817736 0.213767 -1.107927\n-0.838413 4.982996 -2.684341\n0.279441 -0.189557 5.658965\nMn Zn O\n3 2 8\ndirect\n0.500001 1.000000 0.000001 Mn\n0.000000 0.744844 0.000000 Mn\n0.000000 0.255157 0.000000 Mn\n0.599442 0.707503 0.415004 Zn\n0.400559 0.292498 0.584995 Zn\n0.097668 0.393827 0.787655 O\n0.902334 0.606173 0.212344 O\n0.130401 0.899065 0.798130 O\n0.869600 0.100935 0.201870 O\n0.365701 0.341500 0.228807 O\n0.365702 0.887309 0.228808 O\n0.634300 0.112692 0.771192 O\n0.634300 0.658501 0.771192 O\n",
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"volume": 135.62250994637208,
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{
"id": "jvasp-115710",
"created_at": "2022-09-04T14:38:46.734729Z",
"updated_at": "2022-09-04T14:38:46.734766Z",
"structure_string": "Pb1 Br3\n1.0\n4.063870 -0.239169 0.500615\n3.720552 -5.965462 0.598957\n-1.506455 -2.857490 -5.845774\nPb Br\n1 3\ndirect\n0.636391 0.969155 0.392708 Pb\n0.780521 0.152413 0.025518 Br\n0.513157 0.785835 0.759873 Br\n0.214678 0.469147 0.392598 Br\n",
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"elements": [
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"volume": 133.86652135528828,
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"formula_full": "Pb1 Br3",
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"spacegroup": 44
},
{
"id": "jvasp-115711",
"created_at": "2022-09-04T14:38:45.800149Z",
"updated_at": "2022-09-04T14:38:45.800166Z",
"structure_string": "Rb1 Pd1 Br2\n1.0\n3.931067 0.000000 -0.000000\n0.000000 3.931067 0.000000\n-0.000000 -0.000000 7.699035\nRb Pd Br\n1 1 2\ndirect\n0.500001 0.500001 0.589367 Rb\n0.000000 0.000000 0.025964 Pd\n0.000000 0.000000 0.377209 Br\n0.500001 0.500001 0.017461 Br\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-115712",
"created_at": "2022-09-04T14:38:44.759161Z",
"updated_at": "2022-09-04T14:38:44.759189Z",
"structure_string": "Rb1 Pd1 Br1\n1.0\n3.955710 0.000000 0.000000\n0.000000 3.955710 0.000000\n0.000000 -0.000000 7.991379\nRb Pd Br\n1 1 1\ndirect\n0.000000 0.000000 0.631212 Rb\n0.000000 0.000000 0.309621 Pd\n0.000000 0.000000 0.004312 Br\n",
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{
"id": "jvasp-115713",
"created_at": "2022-09-04T14:38:45.828682Z",
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"structure_string": "Rb1 Pd1 Br1\n1.0\n4.688322 -0.944941 0.000000\n-1.203239 6.098997 0.000000\n0.000000 0.000000 3.882272\nRb Pd Br\n1 1 1\ndirect\n0.121005 0.459345 0.000000 Rb\n0.399131 0.016925 0.000000 Pd\n-0.163766 -0.109195 0.000000 Br\n",
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{
"id": "jvasp-115714",
"created_at": "2022-09-04T14:38:45.688868Z",
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"structure_string": "Rb2 Pd1 Br1\n1.0\n-1.940812 6.080070 5.438819\n1.940812 -6.080070 5.438819\n1.940812 6.080070 -5.438819\nRb Pd Br\n2 1 1\ndirect\n0.253588 0.000000 0.253588 Rb\n0.746412 0.000000 0.746412 Rb\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-115716",
"created_at": "2022-09-04T14:38:46.761884Z",
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"structure_string": "Pd1 Se1 Br1\n1.0\n2.903296 0.000000 -0.000000\n-0.000000 2.903296 0.000000\n-0.000000 -0.000000 8.492168\nPd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.675966 Pd\n0.000000 0.000000 -0.045660 Se\n0.000000 0.000000 0.379950 Br\n",
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}