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{
"id": "jvasp-15977",
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"updated_at": "2022-09-04T14:36:57.133980Z",
"structure_string": "Sr1 Si2 Cu2\n1.0\n3.936807 -0.000000 -1.524460\n-0.590320 3.892296 -1.524460\n-0.014903 -0.017334 5.807004\nSr Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.623536 0.623536 0.247071 Si\n0.376466 0.376466 0.752929 Si\n0.750001 0.250001 0.500000 Cu\n0.250001 0.750001 0.500000 Cu\n",
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{
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"structure_string": "Sr1 Si2 Au2\n1.0\n4.178558 0.000000 -1.653776\n-0.654526 4.126978 -1.653776\n-0.058155 -0.068105 5.958884\nSr Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.618693 0.618693 0.237384 Si\n0.381307 0.381306 0.762614 Si\n0.250000 0.750000 0.499999 Au\n0.750001 0.250000 0.499999 Au\n",
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{
"id": "jvasp-15980",
"created_at": "2022-09-04T14:36:56.771196Z",
"updated_at": "2022-09-04T14:36:56.771216Z",
"structure_string": "Sr1 Si2 Ag2\n1.0\n4.124079 -0.000000 -1.590308\n-0.613247 4.078229 -1.590308\n-0.010908 -0.012672 6.114264\nSr Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.611803 0.611804 0.223606 Si\n0.388196 0.388197 0.776392 Si\n0.249999 0.750000 0.499999 Ag\n0.750000 0.250000 0.499999 Ag\n",
"nsites": 5,
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"elements": [
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"density": 5.814881142947811,
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"volume": 102.66921688281927,
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"formula_full": "Sr1 Si2 Ag2",
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"spacegroup": 139
},
{
"id": "jvasp-36638",
"created_at": "2022-09-04T14:37:14.902091Z",
"updated_at": "2022-09-04T14:37:14.902111Z",
"structure_string": "Sr1 Si1 O3\n1.0\n3.688315 -0.000000 -0.000000\n0.000000 3.688315 0.000000\n0.000000 0.000000 3.688315\nSr Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Si\n0.000000 0.500001 0.500001 O\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.417807603542702,
"density_atomic": 0.099651993236584,
"volume": 50.17461103993665,
"volume_molar": 6.04317140521497,
"formula_full": "Sr1 Si1 O3",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-100340",
"created_at": "2022-09-04T14:36:53.054610Z",
"updated_at": "2022-09-04T14:36:53.054632Z",
"structure_string": "Sr1 Si1 Ni1\n1.0\n4.007005 0.000000 0.000000\n-2.003502 3.470169 -0.000000\n-0.000000 0.000000 4.683387\nSr Si Ni\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.446950370074708,
"density_atomic": 0.04606708142754106,
"volume": 65.12242380101074,
"volume_molar": 13.072546758735362,
"formula_full": "Sr1 Si1 Ni1",
"formula_reduced": "SrSiNi",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-121242",
"created_at": "2022-09-04T14:38:50.008149Z",
"updated_at": "2022-09-04T14:38:50.008164Z",
"structure_string": "Sr1 Si1 N2\n1.0\n3.095649 0.000000 -0.000000\n-0.000000 3.095649 0.000000\n-0.000000 -0.000000 5.800654\nSr Si N\n1 1 2\ndirect\n0.500000 0.500000 0.548498 Sr\n0.000000 0.000000 0.085978 Si\n0.000000 0.000000 0.372733 N\n0.500000 0.500000 0.002789 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.293214584696712,
"density_atomic": 0.07195808637795933,
"volume": 55.587915150911996,
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"formula_full": "Sr1 Si1 N2",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-121243",
"created_at": "2022-09-04T14:38:50.035526Z",
"updated_at": "2022-09-04T14:38:50.035551Z",
"structure_string": "Sr1 Si1 N1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSr Si N\n1 1 1\ndirect\n0.000000 0.000000 0.708884 Sr\n0.000000 0.000000 -0.037776 Si\n0.000000 0.000000 0.207089 N\n",
"nsites": 3,
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"elements": [
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],
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"density": 1.4194708258972297,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
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"formula_full": "Sr1 Si1 N1",
"formula_reduced": "SrSiN",
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},
{
"id": "jvasp-118512",
"created_at": "2022-09-04T14:38:50.917900Z",
"updated_at": "2022-09-04T14:38:50.917926Z",
"structure_string": "Sr1 Si1 H2\n1.0\n3.625900 0.000000 0.000000\n0.000000 3.625900 0.000000\n0.000000 0.000000 4.550300\nSr Si H\n1 1 2\ndirect\n0.500000 0.500000 0.579708 Sr\n0.000000 0.000000 0.003916 Si\n0.000000 0.000000 0.349624 H\n0.500000 0.500000 0.076751 H\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.267629188126776,
"density_atomic": 0.06686337835721702,
"volume": 59.823480330743,
"volume_molar": 9.006635482620643,
"formula_full": "Sr1 Si1 H2",
"formula_reduced": "SrSiH2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118513",
"created_at": "2022-09-04T14:38:34.421021Z",
"updated_at": "2022-09-04T14:38:34.421041Z",
"structure_string": "Sr1 Si1 H2\n1.0\n-0.000000 3.077862 3.077862\n3.077862 -0.000000 3.077862\n3.077862 3.077862 -0.000000\nSr Si H\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.3521775638491675,
"density_atomic": 0.06859343697462558,
"volume": 58.31461691414734,
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"formula_full": "Sr1 Si1 H2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-118511",
"created_at": "2022-09-04T14:38:50.912334Z",
"updated_at": "2022-09-04T14:38:50.912362Z",
"structure_string": "Sr1 Si1 H1\n1.0\n3.423774 -0.000000 0.000000\n0.000000 3.423774 -0.000000\n-0.000000 -0.000000 6.864501\nSr Si H\n1 1 1\ndirect\n0.000000 0.000000 0.677726 Sr\n0.000000 0.000000 0.243580 Si\n0.000000 0.000000 0.021219 H\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.4085230960534156,
"density_atomic": 0.03728224901902583,
"volume": 80.46724859514359,
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"formula_full": "Sr1 Si1 H1",
"formula_reduced": "SrSiH",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-15691",
"created_at": "2022-09-04T14:36:57.917323Z",
"updated_at": "2022-09-04T14:36:57.917343Z",
"structure_string": "Sr1 Si1\n1.0\n3.806780 0.000000 0.000000\n0.000000 3.806780 0.000000\n0.000000 0.000000 3.807171\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
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"elements": [
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"density": 3.4824521617757003,
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"volume": 55.17190015684739,
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"formula_full": "Sr1 Si1",
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},
{
"id": "jvasp-13967",
"created_at": "2022-09-04T14:37:18.647359Z",
"updated_at": "2022-09-04T14:37:18.647383Z",
"structure_string": "Sr1 Si1\n1.0\n3.806740 0.000000 0.000000\n0.000000 3.806740 0.000000\n0.000000 0.000000 3.807251\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
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"volume": 55.17190001949953,
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}