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{
"id": "jvasp-109728",
"created_at": "2022-09-04T14:38:47.397786Z",
"updated_at": "2022-09-04T14:38:47.397801Z",
"structure_string": "La2 Mn1 Sb4\n1.0\n4.493026 0.000000 0.000000\n0.000000 4.493026 0.000000\n0.000000 0.000000 10.076132\nLa Mn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.754511 La\n-0.000000 0.500000 0.245489 La\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.136146 Sb\n-0.000000 0.500000 0.863853 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
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"structure_string": "La1 Mn2 Si2\n1.0\n3.782463 0.000000 -1.367587\n-0.494464 3.750004 -1.367587\n0.046907 0.053499 6.044283\nLa Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250001 0.749999 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.630216 0.630215 0.260431 Si\n0.369785 0.369784 0.739568 Si\n",
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"structure_string": "La1 Y1 Mn2 Si2\n1.0\n3.981124 -0.000000 0.000000\n0.000000 3.981124 0.000000\n-0.000000 -0.000000 7.368951\nLa Y Mn Si\n1 1 2 2\ndirect\n0.500000 0.500000 0.339406 La\n0.000000 0.000000 0.689429 Y\n0.500000 0.000000 0.993848 Mn\n-0.000000 0.500000 0.993848 Mn\n0.500000 0.500000 0.806378 Si\n0.000000 0.000000 0.177091 Si\n",
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{
"id": "jvasp-104889",
"created_at": "2022-09-04T14:36:58.927024Z",
"updated_at": "2022-09-04T14:36:58.927037Z",
"structure_string": "La2 Ni1 Mo1 O6\n1.0\n4.852346 -0.000000 2.801503\n1.617449 4.574836 2.801503\n-0.000000 -0.000000 5.603006\nLa Ni Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750001 0.750001 0.749999 La\n0.500000 0.500000 0.499999 Ni\n0.000000 0.000000 0.000000 Mo\n0.752291 0.247710 0.247709 O\n0.247710 0.752291 0.752290 O\n0.247710 0.752291 0.247709 O\n0.752291 0.247710 0.752290 O\n0.247710 0.247710 0.752291 O\n0.752291 0.752291 0.247708 O\n",
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"formula_full": "La2 Ni1 Mo1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-110316",
"created_at": "2022-09-04T14:38:18.120935Z",
"updated_at": "2022-09-04T14:38:18.120959Z",
"structure_string": "La2 Mo1 O6\n1.0\n4.158532 0.000406 -7.594160\n-0.271907 4.149634 -7.594160\n-0.000380 -0.000406 8.658213\nLa Mo O\n2 1 6\ndirect\n0.679818 0.679819 -0.000001 La\n0.320180 0.320181 -0.000000 La\n0.000000 0.000000 0.000000 Mo\n0.298615 0.834313 -0.000001 O\n0.701383 0.701383 0.535695 O\n0.834312 0.298617 -0.000000 O\n0.165687 0.165687 0.464302 O\n0.749999 0.250000 0.499999 O\n0.249999 0.749999 0.499998 O\n",
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"volume": 149.38478566646373,
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"formula_anonymous": "AB2C6",
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"spacegroup": 121
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{
"id": "jvasp-90543",
"created_at": "2022-09-04T14:36:01.250884Z",
"updated_at": "2022-09-04T14:36:01.250911Z",
"structure_string": "La2 Mo1 O6\n1.0\n4.855738 -0.141857 2.495874\n1.461454 4.632760 2.495873\n-0.199546 -0.141857 5.455984\nLa Mo O\n2 1 6\ndirect\n0.742040 0.742040 0.742040 La\n0.257959 0.257959 0.257959 La\n0.000000 0.000000 0.000000 Mo\n0.328082 0.791211 0.132247 O\n0.791211 0.132246 0.328082 O\n0.132247 0.328082 0.791211 O\n0.671917 0.208788 0.867752 O\n0.867753 0.671917 0.208788 O\n0.208788 0.867752 0.671917 O\n",
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"volume": 127.4457667781609,
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"spacegroup": 148
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{
"id": "jvasp-119703",
"created_at": "2022-09-04T14:38:51.912168Z",
"updated_at": "2022-09-04T14:38:51.912187Z",
"structure_string": "La4 Mo2 O12\n1.0\n6.289488 0.000000 0.000000\n-0.000000 4.716588 2.917108\n0.000000 0.060953 9.085675\nLa Mo O\n4 2 12\ndirect\n0.587916 0.783512 0.251418 La\n0.087916 0.216488 0.248582 La\n0.912084 0.783512 0.751418 La\n0.412084 0.216488 0.748582 La\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.148169 0.159703 0.547764 O\n0.648169 0.840297 0.952235 O\n0.733194 0.293577 0.571074 O\n0.944837 0.601193 0.266701 O\n0.555163 0.601193 0.766701 O\n0.351831 0.159703 0.047764 O\n0.851831 0.840297 0.452235 O\n0.233193 0.706423 0.928926 O\n0.266807 0.706423 0.428926 O\n0.055163 0.398807 0.733299 O\n0.766807 0.293577 0.071074 O\n0.444837 0.398807 0.233299 O\n",
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"volume": 268.40754322727224,
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"formula_full": "La4 Mo2 O12",
"formula_reduced": "La2MoO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 14
},
{
"id": "jvasp-57482",
"created_at": "2022-09-04T14:37:13.809816Z",
"updated_at": "2022-09-04T14:37:13.809829Z",
"structure_string": "La2 Mo1 O6\n1.0\n4.163790 0.000556 -1.065656\n-0.273235 4.154795 -1.065656\n0.002414 0.002577 8.666842\nLa Mo O\n2 1 6\ndirect\n0.180100 0.180100 0.359813 La\n0.820000 0.820001 0.640181 La\n0.499937 0.499937 -0.000001 Mo\n0.334408 0.798260 0.133023 O\n0.201609 0.201609 0.866914 O\n0.798258 0.334410 0.133024 O\n0.665527 0.665530 0.867045 O\n0.750097 0.250069 0.499998 O\n0.250068 0.750098 0.499999 O\n",
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"volume": 149.95790179243102,
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"formula_full": "La2 Mo1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 121
},
{
"id": "jvasp-121967",
"created_at": "2022-09-04T14:38:54.521040Z",
"updated_at": "2022-09-04T14:38:54.521064Z",
"structure_string": "La1 Mo6 S8\n1.0\n6.558537 0.013219 0.132205\n0.129834 6.557265 0.132205\n0.013457 0.013219 6.559856\nLa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.436894 0.579989 0.771820 Mo\n0.771819 0.436895 0.579990 Mo\n0.579988 0.771819 0.436895 Mo\n0.563106 0.420012 0.228182 Mo\n0.228181 0.563106 0.420012 Mo\n0.420012 0.228182 0.563107 Mo\n0.755868 0.755868 0.755869 S\n0.244133 0.244133 0.244133 S\n0.250263 0.874913 0.623639 S\n0.623639 0.250263 0.874914 S\n0.874913 0.623639 0.250264 S\n0.749738 0.125087 0.376363 S\n0.376361 0.749738 0.125088 S\n0.125087 0.376362 0.749738 S\n",
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{
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"created_at": "2022-09-04T14:38:52.495912Z",
"updated_at": "2022-09-04T14:38:52.495935Z",
"structure_string": "La1 Mo6 Se8\n1.0\n6.840362 0.003199 0.165950\n0.162051 6.838443 0.165950\n0.003274 0.003199 6.842373\nLa Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.761030 0.438433 0.576616 Mo\n0.438432 0.576616 0.761030 Mo\n0.576616 0.761030 0.438433 Mo\n0.423383 0.238970 0.561567 Mo\n0.561567 0.423384 0.238969 Mo\n0.238969 0.561567 0.423384 Mo\n0.622161 0.246265 0.880694 Se\n0.880694 0.622163 0.246264 Se\n0.757605 0.757606 0.757606 Se\n0.246264 0.880695 0.622163 Se\n0.753735 0.119305 0.377837 Se\n0.242394 0.242394 0.242394 Se\n0.119305 0.377837 0.753735 Se\n0.377838 0.753735 0.119305 Se\n",
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"formula_full": "La1 Mo6 Se8",
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{
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"structure_string": "La1 N2\n1.0\n4.031842 0.295713 0.586618\n-0.446637 -4.041837 0.326736\n-1.473942 1.530654 -3.066752\nLa N\n1 2\ndirect\n-0.124121 0.860027 0.070244 La\n0.282937 0.476582 0.095181 N\n0.468964 0.243697 0.045823 N\n",
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}
]
}