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{
"id": "jvasp-120344",
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"updated_at": "2022-09-04T14:38:48.162628Z",
"structure_string": "Sr1 Ta1 N1\n1.0\n3.264341 -0.000000 -0.000000\n-0.000000 3.264341 0.000000\n-0.000000 0.000000 7.331691\nSr Ta N\n1 1 1\ndirect\n0.000000 0.000000 0.305669 Sr\n0.000000 0.000000 0.755083 Ta\n0.000000 0.000000 -0.006709 N\n",
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{
"id": "jvasp-120346",
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"structure_string": "Sr1 Ta1 N2\n1.0\n1.620174 0.935408 5.874905\n-1.620174 0.935408 5.874905\n-0.000000 -1.870816 5.874905\nSr Ta N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ta\n0.768190 0.768190 0.768190 N\n0.231810 0.231810 0.231810 N\n",
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{
"id": "jvasp-107032",
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"structure_string": "Sr4 N3\n1.0\n3.789059 -0.000503 0.598367\n1.847860 3.307927 0.598367\n-0.101061 -0.059297 12.863929\nSr N\n4 3\ndirect\n0.373466 0.373466 0.379085 Sr\n0.626534 0.626535 0.620916 Sr\n0.114580 0.114580 0.154638 Sr\n0.885420 0.885421 0.845363 Sr\n0.752332 0.752334 0.241937 N\n0.247668 0.247667 0.758063 N\n0.000000 -0.000001 0.500000 N\n",
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"elements": [
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"formula_full": "Sr4 N3",
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{
"id": "jvasp-7747",
"created_at": "2022-09-04T14:36:50.646377Z",
"updated_at": "2022-09-04T14:36:50.646404Z",
"structure_string": "Sr2 N1\n1.0\n3.699342 0.005576 6.216519\n1.714004 3.278315 6.216519\n0.009192 0.005576 7.233959\nSr N\n2 1\ndirect\n0.266767 0.266769 0.266768 Sr\n0.733229 0.733235 0.733232 Sr\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"density": 3.5953227489216224,
"density_atomic": 0.034322722159675904,
"volume": 87.40565465767614,
"volume_molar": 17.54563851894918,
"formula_full": "Sr2 N1",
"formula_reduced": "Sr2N",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-16257",
"created_at": "2022-09-04T14:38:31.994130Z",
"updated_at": "2022-09-04T14:38:31.994157Z",
"structure_string": "Sr1 N2\n1.0\n3.386913 -0.000000 -1.756880\n-0.911340 3.261999 -1.756880\n0.002737 0.003606 4.148362\nSr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.599461 0.599462 0.198922 N\n0.400539 0.400539 0.801078 N\n",
"nsites": 3,
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"elements": [
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"density": 4.185635453493396,
"density_atomic": 0.0653958610912448,
"volume": 45.87446284733821,
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"formula_full": "Sr1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-91768",
"created_at": "2022-09-04T14:35:50.891575Z",
"updated_at": "2022-09-04T14:35:50.891600Z",
"structure_string": "Sr4 N4\n1.0\n0.000000 3.786469 -0.000000\n0.000000 -0.000000 5.355216\n7.572714 0.000000 0.000000\nSr N\n4 4\ndirect\n0.250000 0.749984 0.625004 Sr\n0.250000 0.750017 0.125004 Sr\n0.750000 0.250017 0.374995 Sr\n0.750000 0.249983 0.874995 Sr\n0.250000 0.250026 0.624981 N\n0.250000 0.249974 0.124982 N\n0.750000 0.749975 0.375018 N\n0.750000 0.750026 0.875018 N\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.05209871764993032,
"volume": 153.55464320167772,
"volume_molar": 11.559095946401005,
"formula_full": "Sr4 N4",
"formula_reduced": "SrN",
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"spacegroup": 225
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{
"id": "jvasp-78406",
"created_at": "2022-09-04T14:37:14.311789Z",
"updated_at": "2022-09-04T14:37:14.311807Z",
"structure_string": "Sr1 N1\n1.0\n-2.677171 -2.677171 0.000000\n-2.677171 0.000000 -2.677171\n-0.000000 -2.677171 -2.677171\nSr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"density": 4.397426502359885,
"density_atomic": 0.052116070654891454,
"volume": 38.37587858923294,
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"formula_full": "Sr1 N1",
"formula_reduced": "SrN",
"formula_anonymous": "AB",
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},
{
"id": "jvasp-105095",
"created_at": "2022-09-04T14:36:56.412849Z",
"updated_at": "2022-09-04T14:36:56.412862Z",
"structure_string": "Sr4 N3\n1.0\n6.410526 0.037968 2.962941\n5.234602 3.700707 2.962941\n-0.023781 -0.007635 6.486830\nSr N\n4 3\ndirect\n0.630655 0.630657 0.559514 Sr\n0.139651 0.139651 -0.000198 Sr\n0.369343 0.369345 0.440485 Sr\n0.860348 0.860350 0.000197 Sr\n0.782030 0.782033 0.706509 N\n0.500000 0.500001 -0.000000 N\n0.217969 0.217970 0.293490 N\n",
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"density_atomic": 0.04578586388768715,
"volume": 152.88561590037963,
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"formula_full": "Sr4 N3",
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"formula_anonymous": "A3B4",
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"spacegroup": 12
},
{
"id": "jvasp-36448",
"created_at": "2022-09-04T14:37:15.896052Z",
"updated_at": "2022-09-04T14:37:15.896062Z",
"structure_string": "Sr3 N2\n1.0\n4.944071 -0.000000 0.000000\n0.000000 4.944071 0.000000\n-0.000000 0.000000 4.944071\nSr N\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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"density": 3.9966766043033974,
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"volume": 120.85207084673648,
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"formula_full": "Sr3 N2",
"formula_reduced": "Sr3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.799029086,
"spacegroup": 221
},
{
"id": "jvasp-9115",
"created_at": "2022-09-04T14:38:11.824052Z",
"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
"nsites": 14,
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"elements": [
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"density": 2.73024235817805,
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"volume": 208.808179557062,
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"formula_full": "Sr2 N12",
"formula_reduced": "SrN6",
"formula_anonymous": "AB6",
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"spacegroup": 70
},
{
"id": "jvasp-103142",
"created_at": "2022-09-04T14:37:03.369312Z",
"updated_at": "2022-09-04T14:37:03.369332Z",
"structure_string": "Zr2 Sn2 N4\n1.0\n3.987639 -0.000000 0.000000\n-0.000000 3.987639 0.000000\n0.000000 0.000000 8.019922\nZr Sn N\n2 2 4\ndirect\n0.750000 0.750000 0.606104 Zr\n0.250000 0.250000 0.393896 Zr\n0.750000 0.750000 0.132694 Sn\n0.250000 0.250000 0.867305 Sn\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.868576 N\n0.250000 0.250000 0.131423 N\n",
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"elements": [
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],
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"density": 6.196668202722706,
"density_atomic": 0.06273186119740477,
"volume": 127.52690335180046,
"volume_molar": 9.599812033393226,
"formula_full": "Zr2 Sn2 N4",
"formula_reduced": "ZrSnN2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-8341",
"created_at": "2022-09-04T14:36:49.971864Z",
"updated_at": "2022-09-04T14:36:49.971896Z",
"structure_string": "Zn1 Sn2 N2\n1.0\n3.382296 -0.043614 0.150166\n-0.041003 3.382594 0.147126\n0.365966 0.373376 7.710577\nZn Sn N\n1 2 2\ndirect\n0.014124 0.985890 0.750005 Zn\n0.357573 0.411025 0.066913 Sn\n0.588845 0.642573 0.433086 Sn\n0.051327 0.511918 0.597424 N\n0.488137 0.948593 0.902575 N\n",
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"volume": 87.82607422007555,
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"formula_full": "Zn1 Sn2 N2",
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"formula_anonymous": "AB2C2",
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