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{
"id": "jvasp-44524",
"created_at": "2022-09-04T14:38:09.756535Z",
"updated_at": "2022-09-04T14:38:09.756554Z",
"structure_string": "Sn4 B4 O12\n1.0\n5.138182 0.000779 -0.324148\n2.557268 4.456601 0.324148\n-0.731216 1.262409 12.793928\nSn B O\n4 4 12\ndirect\n0.152841 0.625512 0.361901 Sn\n0.454704 0.112062 0.127747 Sn\n0.374487 0.847159 0.861901 Sn\n0.887938 0.545296 0.627747 Sn\n0.106102 0.454938 0.879602 B\n0.562864 0.204838 0.630655 B\n0.545062 0.893898 0.379602 B\n0.795162 0.437135 0.130654 B\n0.804402 0.174136 0.113594 O\n0.517347 0.696395 0.123965 O\n0.555012 0.939222 0.652166 O\n0.825863 0.195598 0.613594 O\n0.253629 0.972531 0.377762 O\n0.303604 0.482653 0.623965 O\n0.284389 0.205953 0.964568 O\n0.027469 0.746371 0.877762 O\n0.794047 0.715611 0.464568 O\n0.060778 0.444988 0.152166 O\n0.655199 0.963987 0.291790 O\n0.036012 0.344801 0.791790 O\n",
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{
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"structure_string": "Sn1 B1 O4\n1.0\n2.579942 -3.361840 0.000000\n2.579942 3.361840 0.000000\n0.000000 0.000000 3.646547\nSn B O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Sn\n0.499999 0.499999 0.000000 B\n0.753408 0.753408 0.000000 O\n0.291727 0.708270 0.500000 O\n0.246590 0.246590 0.000000 O\n0.708270 0.291727 0.500000 O\n",
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},
{
"id": "jvasp-115518",
"created_at": "2022-09-04T14:38:46.937885Z",
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"structure_string": "Sn1 B1 O4\n1.0\n-2.020609 2.020609 4.123830\n2.020609 -2.020609 4.123830\n2.020609 2.020609 -4.123830\nSn B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 B\n0.576691 0.076691 0.500000 O\n0.242767 0.242767 0.000000 O\n0.923309 0.423309 0.500000 O\n0.757232 0.757232 0.000000 O\n",
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"volume": 67.34809427131597,
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"formula_full": "Sn1 B1 O4",
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"spacegroup": 119
},
{
"id": "jvasp-37353",
"created_at": "2022-09-04T14:37:58.821554Z",
"updated_at": "2022-09-04T14:37:58.821587Z",
"structure_string": "Sn2 Br4\n1.0\n7.037013 0.000000 0.000000\n-0.000000 7.037013 0.000000\n0.000000 0.000000 4.443051\nSn Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298374 0.298374 0.000000 Br\n0.701625 0.701625 0.000000 Br\n0.201625 0.798374 0.500000 Br\n0.798374 0.201625 0.500000 Br\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Br-Sn",
"density": 4.204112761236405,
"density_atomic": 0.0272705090814531,
"volume": 220.0178948650669,
"volume_molar": 22.082978876605235,
"formula_full": "Sn2 Br4",
"formula_reduced": "SnBr2",
"formula_anonymous": "AB2",
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"spacegroup": 136
},
{
"id": "jvasp-13062",
"created_at": "2022-09-04T14:36:50.501228Z",
"updated_at": "2022-09-04T14:36:50.501247Z",
"structure_string": "Sn4 Br8\n1.0\n4.224787 -0.000000 0.000000\n-0.000000 8.585659 0.000000\n0.000000 0.000000 10.407649\nSn Br\n4 8\ndirect\n0.250000 0.868295 0.831421 Sn\n0.750001 0.131705 0.168580 Sn\n0.250000 0.368295 0.668580 Sn\n0.750001 0.631705 0.331420 Sn\n0.250000 0.167842 0.948508 Br\n0.750001 0.832158 0.051492 Br\n0.250000 0.667842 0.551492 Br\n0.750001 0.332158 0.448508 Br\n0.250000 0.489078 0.178447 Br\n0.750001 0.510922 0.821554 Br\n0.250000 0.989078 0.321553 Br\n0.750001 0.010922 0.678447 Br\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Br-Sn",
"density": 4.900397007660301,
"density_atomic": 0.03178704489858263,
"volume": 377.5122864766543,
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"formula_full": "Sn4 Br8",
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"spacegroup": 62
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{
"id": "jvasp-90042",
"created_at": "2022-09-04T14:38:06.988530Z",
"updated_at": "2022-09-04T14:38:06.988552Z",
"structure_string": "Sn1 Br6 N2\n1.0\n-5.101497 -5.101497 0.000000\n-5.101497 -0.000000 -5.101497\n0.000000 -5.101497 -5.101497\nSn Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.743034 0.256967 0.256967 Br\n0.743034 0.256967 0.743034 Br\n0.743034 0.743034 0.256967 Br\n0.256967 0.743034 0.743034 Br\n0.256967 0.743034 0.256967 Br\n0.256967 0.256967 0.743034 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 9,
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"elements": [
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"density": 3.9156401822201548,
"density_atomic": 0.03389374884554607,
"volume": 265.535690401585,
"volume_molar": 17.76770338224584,
"formula_full": "Sn1 Br6 N2",
"formula_reduced": "Sn(Br3N)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-5230",
"created_at": "2022-09-04T14:36:41.459591Z",
"updated_at": "2022-09-04T14:36:41.459609Z",
"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Br-Sn",
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"density_atomic": 0.027945537750626248,
"volume": 715.677765032516,
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"formula_full": "Sn4 Br16",
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"spacegroup": 14
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{
"id": "jvasp-30494",
"created_at": "2022-09-04T14:38:03.850258Z",
"updated_at": "2022-09-04T14:38:03.850286Z",
"structure_string": "Sn2 Br2 Cl2\n1.0\n6.003549 -0.000000 -0.000000\n-0.000000 6.003549 0.000000\n-0.000000 -0.000000 5.635866\nSn Br Cl\n2 2 2\ndirect\n0.750000 0.750000 0.881619 Sn\n0.250000 0.250000 0.118382 Sn\n0.250000 0.750000 -0.000000 Br\n0.750000 0.250000 0.000000 Br\n0.250000 0.250000 0.561788 Cl\n0.750000 0.750000 0.438213 Cl\n",
"nsites": 6,
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"elements": [
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"volume": 203.13126724720024,
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"formula_full": "Sn2 Br2 Cl2",
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{
"id": "jvasp-38030",
"created_at": "2022-09-04T14:38:00.996509Z",
"updated_at": "2022-09-04T14:38:00.996544Z",
"structure_string": "Sn2 Br2 F2\n1.0\n4.097321 -0.000000 0.000000\n0.000000 4.097321 0.000000\n0.000000 -0.000000 7.779761\nSn Br F\n2 2 2\ndirect\n0.500000 0.000000 0.811577 Sn\n0.000000 0.500000 0.188423 Sn\n0.000000 0.500000 0.652986 Br\n0.500000 0.000000 0.347014 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
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},
{
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"created_at": "2022-09-04T14:38:39.449925Z",
"updated_at": "2022-09-04T14:38:39.449954Z",
"structure_string": "Sn1 C1\n1.0\n3.597539 0.000000 -0.000000\n-1.798769 3.115560 0.000000\n-0.000000 0.000000 4.268379\nSn C\n1 1\ndirect\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:37:18.721830Z",
"updated_at": "2022-09-04T14:37:18.721864Z",
"structure_string": "Sn1 C1\n1.0\n2.542644 2.542644 -0.000000\n2.542644 0.000000 -2.542644\n0.000000 2.542644 -2.542644\nSn C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.749999 0.749999 0.749999 C\n",
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{
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"created_at": "2022-09-04T14:37:13.421257Z",
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