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{
"id": "jvasp-97037",
"created_at": "2022-09-04T14:36:39.086734Z",
"updated_at": "2022-09-04T14:36:39.086748Z",
"structure_string": "Sr2 Fe2 As2 F2\n1.0\n3.985701 0.000000 -0.000000\n0.000000 3.985701 0.000000\n0.000000 -0.000000 8.751672\nSr Fe As F\n2 2 2 2\ndirect\n0.750000 0.750000 0.666446 Sr\n0.250000 0.250000 0.333554 Sr\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.750000 0.750000 0.140528 As\n0.250000 0.250000 0.859472 As\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
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{
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"structure_string": "Sr1 Fe2 As2\n1.0\n3.785058 -0.000000 -1.140914\n-0.343900 3.769403 -1.140914\n-0.114877 -0.125835 6.467938\nSr Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.646205 0.646205 0.292411 As\n0.353795 0.353796 0.707591 As\n",
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{
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"created_at": "2022-09-04T14:36:52.831164Z",
"updated_at": "2022-09-04T14:36:52.831192Z",
"structure_string": "Sr2 Fe4 As4\n1.0\n3.953274 -0.000000 0.000000\n0.000000 3.953274 0.000000\n0.000000 -0.000000 11.674296\nSr Fe As\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.500000 Sr\n0.499999 0.000000 0.250000 Fe\n0.000000 0.499999 0.750000 Fe\n0.000000 0.499999 0.250000 Fe\n0.499999 0.000000 0.750000 Fe\n0.000000 0.000000 0.646231 As\n0.499999 0.499999 0.146231 As\n0.000000 0.000000 0.353769 As\n0.499999 0.499999 0.853769 As\n",
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"density_atomic": 0.05480945290317147,
"volume": 182.45027947398768,
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"formula_full": "Sr2 Fe4 As4",
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{
"id": "jvasp-15396",
"created_at": "2022-09-04T14:36:11.484170Z",
"updated_at": "2022-09-04T14:36:11.484195Z",
"structure_string": "Sr1 Fe2 As2\n1.0\n3.785058 -0.000000 -1.140914\n-0.343900 3.769403 -1.140914\n-0.114876 -0.125834 6.467940\nSr Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.646205 0.646205 0.292411 As\n0.353795 0.353795 0.707590 As\n",
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"volume": 91.19393653132285,
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"spacegroup": 139
},
{
"id": "jvasp-87189",
"created_at": "2022-09-04T14:35:45.418599Z",
"updated_at": "2022-09-04T14:35:45.418629Z",
"structure_string": "Sr2 Fe6 P8 O28\n1.0\n6.986202 0.000000 -2.839092\n0.000000 7.688302 0.000000\n0.045940 0.000000 9.679532\nSr Fe P O\n2 6 8 28\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.819123 0.129500 0.472656 Fe\n0.819123 0.370499 0.972656 Fe\n0.180877 0.870499 0.527344 Fe\n0.000000 0.000000 0.000000 Fe\n0.180877 0.629500 0.027344 Fe\n-0.000000 0.500000 0.500000 Fe\n0.598073 0.058363 0.700044 P\n0.401926 0.558363 0.799956 P\n0.401926 0.941637 0.299956 P\n0.598073 0.441637 0.200044 P\n0.116588 0.293839 0.807095 P\n0.883412 0.706160 0.192905 P\n0.116588 0.206160 0.307095 P\n0.883412 0.793839 0.692904 P\n-0.007571 0.784985 0.861716 O\n0.028682 0.422090 0.884905 O\n0.028682 0.077910 0.384905 O\n0.971317 0.577908 0.115095 O\n0.007571 0.284985 0.638284 O\n0.971317 0.922090 0.615095 O\n0.840508 0.620443 0.610989 O\n0.394553 0.017638 0.688212 O\n0.159492 0.120443 0.889011 O\n0.159492 0.379557 0.389011 O\n0.840508 0.879557 0.110989 O\n0.279423 0.612244 0.637584 O\n0.720577 0.112244 0.862416 O\n0.720577 0.387756 0.362416 O\n0.279423 0.887755 0.137584 O\n0.622422 0.183997 0.587123 O\n0.007571 0.215015 0.138284 O\n0.377577 0.683997 0.912876 O\n0.622422 0.316002 0.087124 O\n0.677442 0.869571 0.675504 O\n0.322557 0.369571 0.824495 O\n0.322557 0.130428 0.324496 O\n0.677442 0.630428 0.175504 O\n0.394553 0.482362 0.188212 O\n0.605447 0.982362 0.311788 O\n0.605447 0.517638 0.811788 O\n0.377578 0.816002 0.412876 O\n-0.007571 0.715014 0.361716 O\n",
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"elements": [
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"density": 3.844710381121423,
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"volume": 520.91008998122,
"volume_molar": 7.129531557207211,
"formula_full": "Sr2 Fe6 P8 O28",
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"formula_anonymous": "AB3C4D14",
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{
"id": "jvasp-112346",
"created_at": "2022-09-04T14:38:26.492531Z",
"updated_at": "2022-09-04T14:38:26.492542Z",
"structure_string": "Sr1 Fe3 Bi2 O9\n1.0\n5.443975 -0.000000 0.000000\n-2.721986 4.714621 0.000000\n-0.000000 -0.000000 6.657396\nSr Fe Bi O\n1 3 2 9\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.349895 Fe\n0.333333 0.666666 0.650105 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.871997 Bi\n0.333333 0.666666 0.128004 Bi\n0.829574 0.170427 0.154974 O\n0.500000 0.500000 0.500000 O\n0.170426 0.829573 0.845026 O\n-0.000000 0.500000 0.500000 O\n0.659145 0.829573 0.845026 O\n0.340855 0.170427 0.154974 O\n0.829573 0.659145 0.154974 O\n0.500000 0.000000 0.500000 O\n0.170427 0.340855 0.845026 O\n",
"nsites": 15,
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"density": 7.940768524327159,
"density_atomic": 0.08778573705450576,
"volume": 170.87058220729602,
"volume_molar": 6.860044651969921,
"formula_full": "Sr1 Fe3 Bi2 O9",
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"formula_anonymous": "AB2C3D9",
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},
{
"id": "jvasp-57296",
"created_at": "2022-09-04T14:36:59.711647Z",
"updated_at": "2022-09-04T14:36:59.711665Z",
"structure_string": "Sr1 Fe2 Se4 O12\n1.0\n0.000000 7.031624 -0.005857\n5.358880 0.000000 0.000000\n0.000000 -0.222410 -7.061623\nSr Fe Se O\n1 2 4 12\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.089563 0.500000 0.728554 Se\n0.707324 0.000000 0.910087 Se\n0.292676 0.000000 0.089913 Se\n0.910437 0.500000 0.271446 Se\n0.187617 0.263599 0.592676 O\n0.105899 0.000000 0.236649 O\n0.187617 0.736401 0.592676 O\n0.812382 0.263599 0.407324 O\n0.231226 0.500000 0.933239 O\n0.812382 0.736401 0.407324 O\n0.436793 0.247577 0.183541 O\n0.563207 0.752423 0.816459 O\n0.768773 0.500000 0.066761 O\n0.436793 0.752423 0.183541 O\n0.894100 0.000000 0.763351 O\n0.563207 0.247577 0.816459 O\n",
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"density": 4.412763253905558,
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"formula_full": "Sr1 Fe2 Se4 O12",
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{
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"created_at": "2022-09-04T14:37:44.688597Z",
"updated_at": "2022-09-04T14:37:44.688623Z",
"structure_string": "Sr1 Fe2 P4 O14\n1.0\n4.828613 0.035114 -0.018940\n-2.143114 -6.863304 -0.012825\n-0.327079 0.031678 -7.866658\nSr Fe P O\n1 2 4 14\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.116399 0.229210 0.702165 P\n0.456966 0.378506 0.245126 P\n0.883601 0.770789 0.297835 P\n0.543034 0.621494 0.754875 P\n0.317066 0.446309 0.651996 O\n0.595302 0.808467 0.653511 O\n0.682933 0.553691 0.348005 O\n0.313007 0.096359 0.709798 O\n0.605064 0.353451 0.079302 O\n0.879827 0.183360 0.564135 O\n0.177300 0.429741 0.209751 O\n0.997297 0.762237 0.116763 O\n0.120173 0.816639 0.435866 O\n0.404698 0.191532 0.346490 O\n0.686993 0.903641 0.290202 O\n0.002703 0.237762 0.883238 O\n0.394936 0.646549 0.920699 O\n0.822700 0.570259 0.790250 O\n",
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"structure_string": "Sr2 F6\n1.0\n0.000000 -4.219121 0.000000\n0.489808 0.000000 -4.477196\n5.939667 0.000000 0.739435\nSr F\n2 6\ndirect\n0.750000 0.246839 0.282315 Sr\n0.250000 0.753163 0.717685 Sr\n0.750000 0.750091 0.459866 F\n0.250000 0.249910 0.540135 F\n0.750000 0.041728 0.865015 F\n0.250000 0.958274 0.134986 F\n0.750000 0.481174 0.864083 F\n0.250000 0.518828 0.135918 F\n",
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},
{
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"structure_string": "Sr1 F3\n1.0\n3.538716 -0.060797 -2.439923\n-1.009316 3.392269 -2.439923\n0.046159 0.060797 4.298093\nSr F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750001 0.250000 0.500001 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
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"structure_string": "Sr4 F8\n1.0\n3.788826 -0.000000 0.000000\n0.000000 6.305555 0.000000\n-0.000000 -0.000000 7.460389\nSr F\n4 8\ndirect\n0.750001 0.251711 0.385065 Sr\n0.750001 0.751711 0.114935 Sr\n0.250000 0.748290 0.614935 Sr\n0.250000 0.248290 0.885065 Sr\n0.750001 0.143261 0.071325 F\n0.750001 0.643262 0.428675 F\n0.250000 0.856739 0.928675 F\n0.250000 0.356739 0.571325 F\n0.750001 0.526744 0.831214 F\n0.750001 0.026744 0.668786 F\n0.250000 0.473257 0.168786 F\n0.250000 0.973257 0.331214 F\n",
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"volume": 178.23354789722117,
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"formula_full": "Sr4 F8",
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},
{
"id": "jvasp-78811",
"created_at": "2022-09-04T14:36:34.809145Z",
"updated_at": "2022-09-04T14:36:34.809179Z",
"structure_string": "Sr1 F2\n1.0\n-2.907766 -2.907766 -0.000000\n-2.907766 -0.000000 -2.907766\n0.000000 -2.907766 -2.907766\nSr F\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 F\n0.750001 0.750001 0.750001 F\n",
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}
]
}