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{
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{
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},
{
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"created_at": "2022-09-04T14:41:03.615425Z",
"structure_string": "Sr6 Sn4 O14\n1.0\n2.943846 -10.354132 0.000000\n2.943846 10.354132 0.000000\n0.000000 0.000000 5.801403\nSr Sn O\n6 4 14\ndirect\n0.242941 0.242941 0.250000 Sr\n0.757059 0.757059 0.750000 Sr\n0.050179 0.424664 0.250000 Sr\n0.949821 0.575336 0.750000 Sr\n0.575336 0.949821 0.750000 Sr\n0.424664 0.050179 0.250000 Sr\n0.649490 0.847053 0.250000 Sn\n0.350510 0.152947 0.750000 Sn\n0.847053 0.649490 0.250000 Sn\n0.152947 0.350510 0.750000 Sn\n0.917538 0.082462 0.000000 O\n0.082462 0.917538 0.500000 O\n0.082462 0.917538 0.000000 O\n0.917538 0.082462 0.500000 O\n0.613390 0.386610 0.500000 O\n0.386610 0.613390 0.000000 O\n0.386610 0.613390 0.500000 O\n0.613390 0.386610 0.000000 O\n0.991880 0.386389 0.750000 O\n0.008120 0.613611 0.250000 O\n0.673611 0.673611 0.250000 O\n0.326389 0.326389 0.750000 O\n0.613611 0.008120 0.250000 O\n0.386389 0.991880 0.750000 O\n",
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"formula_full": "Sr6 Sn4 O14",
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"energy": -160.76283451,
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"spacegroup": 63
},
{
"id": "mp-546973",
"created_at": "2022-09-04T14:44:02.535747Z",
"structure_string": "Sr1 Sn1 O3\n1.0\n4.114859 0.000000 0.000000\n0.000000 4.114859 0.000000\n0.000000 0.000000 4.114859\nSr Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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},
{
"id": "mp-7961",
"created_at": "2022-09-04T14:39:48.792241Z",
"structure_string": "Sr3 Sn1 O1\n1.0\n5.182565 0.000000 0.000000\n0.000000 5.182565 0.000000\n0.000000 0.000000 5.182565\nSr Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Sr3 Sn1 O1",
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"updated_at": "2021-11-28T01:34:41.133000Z",
"spacegroup": 221
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{
"id": "mp-3376",
"created_at": "2022-09-04T14:39:33.721519Z",
"structure_string": "Sr2 Sn1 O4\n1.0\n-2.058886 2.058886 6.350773\n2.058886 -2.058886 6.350773\n2.058886 2.058886 -6.350773\nSr Sn O\n2 1 4\ndirect\n0.646183 0.646183 0.000000 Sr\n0.353817 0.353817 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.835952 0.835952 0.000000 O\n0.164048 0.164048 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:34:37.988000Z",
"spacegroup": 139
},
{
"id": "mp-4941",
"created_at": "2022-09-04T14:47:57.492564Z",
"structure_string": "Sr4 Sn2 O8\n1.0\n2.899967 -6.290473 0.000000\n2.899967 6.290473 0.000000\n0.000000 0.000000 5.919036\nSr Sn O\n4 2 8\ndirect\n0.147216 0.852784 0.485404 Sr\n0.852784 0.147216 0.514596 Sr\n0.352784 0.647216 0.985404 Sr\n0.647216 0.352784 0.014596 Sr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.336821 0.663179 0.557197 O\n0.663179 0.336821 0.442803 O\n0.163179 0.836821 0.057197 O\n0.836821 0.163179 0.942803 O\n0.228352 0.271648 0.250000 O\n0.271648 0.228352 0.750000 O\n0.728352 0.771648 0.250000 O\n0.771648 0.728352 0.750000 O\n",
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],
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"volume": 215.95205222197694,
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"formula_full": "Sr4 Sn2 O8",
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"spacegroup": 64
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{
"id": "mp-1194203",
"created_at": "2022-09-04T14:41:12.116964Z",
"structure_string": "Sr8 Sn4 O16\n1.0\n5.817857 0.000000 0.000000\n0.000000 5.884118 0.000000\n0.000000 0.000000 12.635351\nSr Sn O\n8 4 16\ndirect\n0.008023 0.011555 0.352899 Sr\n0.491977 0.488445 0.352899 Sr\n0.991977 0.511555 0.147101 Sr\n0.508023 0.988445 0.147101 Sr\n0.991977 0.988445 0.647101 Sr\n0.508023 0.511555 0.647101 Sr\n0.008023 0.488445 0.852899 Sr\n0.491977 0.011555 0.852899 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.987601 0.950905 0.163410 O\n0.512399 0.549095 0.163410 O\n0.012399 0.450905 0.336590 O\n0.487601 0.049095 0.336590 O\n0.012399 0.049095 0.836590 O\n0.487601 0.450905 0.836590 O\n0.987601 0.549095 0.663410 O\n0.512399 0.950905 0.663410 O\n0.250000 0.250000 0.021825 O\n0.750000 0.750000 0.478175 O\n0.750000 0.750000 0.978175 O\n0.250000 0.250000 0.521825 O\n0.750000 0.250000 0.014390 O\n0.250000 0.750000 0.485610 O\n0.250000 0.750000 0.985610 O\n0.750000 0.250000 0.514390 O\n",
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"spacegroup": 56
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{
"id": "mp-12866",
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"structure_string": "Sr2 Sn2 O6\n1.0\n-2.895834 2.918747 4.079055\n2.895834 -2.918747 4.079055\n2.895834 2.918747 -4.079055\nSr Sn O\n2 2 6\ndirect\n0.259616 0.250000 0.009616 Sr\n0.740384 0.750000 0.990384 Sr\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.294709 0.294709 0.500000 O\n0.705291 0.205291 0.000000 O\n0.705291 0.705291 0.500000 O\n0.294709 0.794709 0.000000 O\n0.170062 0.750000 0.420062 O\n0.829938 0.250000 0.579938 O\n",
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"formula_full": "Sr2 Sn2 O6",
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{
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"structure_string": "Sr4 Sn4 O12\n1.0\n5.786378 0.000000 0.000000\n0.000000 5.817472 0.000000\n0.000000 0.000000 8.190656\nSr Sn O\n4 4 12\ndirect\n0.507052 0.532458 0.250000 Sr\n0.992948 0.032458 0.250000 Sr\n0.007052 0.967542 0.750000 Sr\n0.492948 0.467542 0.750000 Sr\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.713374 0.285784 0.460991 O\n0.786626 0.785784 0.039009 O\n0.213374 0.214216 0.539009 O\n0.286626 0.714216 0.960991 O\n0.286626 0.714216 0.539009 O\n0.213374 0.214216 0.960991 O\n0.786626 0.785784 0.460991 O\n0.713374 0.285784 0.039009 O\n0.073833 0.481538 0.250000 O\n0.426167 0.981538 0.250000 O\n0.573833 0.018462 0.750000 O\n0.926167 0.518462 0.750000 O\n",
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"formula_full": "Sr4 Sn4 O12",
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"updated_at": "2021-11-28T01:36:15.840000Z",
"spacegroup": 62
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{
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"structure_string": "Sr2 Sn2 O6\n1.0\n-2.871297 2.871297 4.173481\n2.871297 -2.871297 4.173481\n2.871297 2.871297 -4.173481\nSr Sn O\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.306467 0.806467 0.112934 O\n0.806467 0.693533 0.500000 O\n0.193533 0.306467 0.500000 O\n0.693533 0.193533 0.887066 O\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
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{
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"structure_string": "Sr8 Sn4 O16\n1.0\n5.877243 0.000000 0.000000\n0.000000 5.877243 0.000000\n0.000000 0.000000 12.524296\nSr Sn O\n8 4 16\ndirect\n0.764737 0.264737 0.396879 Sr\n0.264737 0.235263 0.603121 Sr\n0.735263 0.764737 0.603121 Sr\n0.235263 0.735263 0.396879 Sr\n0.735263 0.235263 0.103121 Sr\n0.235263 0.264737 0.896879 Sr\n0.764737 0.735263 0.896879 Sr\n0.264737 0.764737 0.103121 Sr\n0.750000 0.250000 0.750000 Sn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.250000 Sn\n0.250000 0.750000 0.750000 Sn\n0.706078 0.206078 0.586656 O\n0.206078 0.293922 0.413344 O\n0.793922 0.706078 0.413344 O\n0.293922 0.793922 0.586656 O\n0.793922 0.293922 0.913344 O\n0.293922 0.206078 0.086656 O\n0.706078 0.793922 0.086656 O\n0.206078 0.706078 0.913344 O\n0.000000 0.000000 0.250000 O\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.500000 0.000000 0.780830 O\n0.000000 0.500000 0.219170 O\n0.000000 0.500000 0.719170 O\n0.500000 0.000000 0.280830 O\n",
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"volume": 432.61404808750086,
"volume_molar": 9.304509615486927,
"formula_full": "Sr8 Sn4 O16",
"formula_reduced": "Sr2SnO4",
"formula_anonymous": "AB2C4",
"energy": -186.7327894,
"energy_per_atom": -6.669028192857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.7407894,
"band_gap": 2.6531,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.04e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.575000Z",
"spacegroup": 138
}
]
}