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{
"id": "jvasp-75839",
"created_at": "2022-09-04T14:35:51.126872Z",
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{
"id": "jvasp-39103",
"created_at": "2022-09-04T14:37:50.750682Z",
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"structure_string": "Si1 Mo1\n1.0\n1.578997 -2.734902 -0.000000\n1.578997 2.734902 -0.000000\n-0.000000 0.000000 3.509984\nSi Mo\n1 1\ndirect\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.499999 Mo\n",
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{
"id": "jvasp-91432",
"created_at": "2022-09-04T14:36:15.912183Z",
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"structure_string": "Si1 Hg3 S2 F6\n1.0\n7.369246 -0.000000 -0.000000\n-3.684622 6.381954 0.000000\n-0.000000 0.000000 4.566120\nSi Hg S F\n1 3 2 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.333333 0.666667 0.237335 S\n0.666667 0.333333 0.762665 S\n0.110841 0.889159 0.285744 F\n0.889160 0.110840 0.714256 F\n0.110841 0.221682 0.285744 F\n0.889160 0.778317 0.714256 F\n0.221682 0.110840 0.714256 F\n0.778318 0.889159 0.285744 F\n",
"nsites": 12,
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"elements": [
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"chemical_system": "F-Hg-S-Si",
"density": 6.24774750960594,
"density_atomic": 0.05588010343581847,
"volume": 214.74548653587755,
"volume_molar": 10.776896229114495,
"formula_full": "Si1 Hg3 S2 F6",
"formula_reduced": "SiHg3(SF3)2",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 164
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{
"id": "jvasp-37246",
"created_at": "2022-09-04T14:38:03.135107Z",
"updated_at": "2022-09-04T14:38:03.135134Z",
"structure_string": "Si1 Hg3\n1.0\n-2.082838 2.082838 5.462757\n2.082838 -2.082838 5.462757\n2.082838 2.082838 -5.462757\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500000 Hg\n0.250000 0.750001 0.500000 Hg\n0.500001 0.500001 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Si",
"density": 11.03334415416493,
"density_atomic": 0.04219656830677264,
"volume": 94.79443851736141,
"volume_molar": 14.271636300417903,
"formula_full": "Si1 Hg3",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-37089",
"created_at": "2022-09-04T14:38:05.395224Z",
"updated_at": "2022-09-04T14:38:05.395249Z",
"structure_string": "Si1 Hg1 P2\n1.0\n3.328477 3.328477 0.000000\n3.328477 -0.000000 -3.328477\n-0.000000 3.328477 -3.328477\nSi Hg P\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 P\n0.750001 0.750001 0.750001 P\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-P-Si",
"density": 6.543535129708786,
"density_atomic": 0.054236707182193616,
"volume": 73.75078996892412,
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"formula_full": "Si1 Hg1 P2",
"formula_reduced": "SiHgP2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-36613",
"created_at": "2022-09-04T14:37:28.984217Z",
"updated_at": "2022-09-04T14:37:28.984241Z",
"structure_string": "Si1 Hg1 O3\n1.0\n3.660860 0.000000 -0.000000\n0.000000 3.660860 -0.000000\n0.000000 0.000000 3.660860\nSi Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.364133858943392,
"density_atomic": 0.1019109012051507,
"volume": 49.062464769444055,
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"formula_full": "Si1 Hg1 O3",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-33859",
"created_at": "2022-09-04T14:38:06.440025Z",
"updated_at": "2022-09-04T14:38:06.440067Z",
"structure_string": "Si1 H8\n1.0\n-2.700656 2.700656 3.729819\n2.700656 -2.700656 3.729819\n2.700656 2.700656 -3.729819\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.449594 0.449594 0.000000 H\n0.550405 0.550405 0.000000 H\n0.699566 0.199563 0.500003 H\n0.800440 0.300437 0.500003 H\n0.115654 0.341996 0.226343 H\n0.115654 0.889315 0.773661 H\n0.658005 0.884348 0.773661 H\n0.110688 0.884348 0.226345 H\n",
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"volume": 108.81437850360395,
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"formula_full": "Si1 H8",
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"spacegroup": 119
},
{
"id": "jvasp-118496",
"created_at": "2022-09-04T14:38:52.355290Z",
"updated_at": "2022-09-04T14:38:52.355316Z",
"structure_string": "Si1 H2 O1\n1.0\n2.668001 -1.651377 -0.017858\n2.668001 1.651377 -0.017858\n-1.692907 0.000000 4.716594\nSi H O\n1 2 1\ndirect\n0.733273 0.733273 0.744126 Si\n0.728681 0.728681 0.287372 H\n0.410975 0.410975 0.792494 H\n0.598134 0.598134 0.386004 O\n",
"nsites": 4,
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"density": 1.8463383081125448,
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"formula_full": "Si1 H2 O1",
"formula_reduced": "SiH2O",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-31979",
"created_at": "2022-09-04T14:38:06.903207Z",
"updated_at": "2022-09-04T14:38:06.903229Z",
"structure_string": "Si1 H2 O1\n1.0\n3.096698 -0.150705 0.445909\n-1.678863 2.907878 0.000000\n0.712892 0.411589 4.951698\nSi H O\n1 2 1\ndirect\n0.463182 0.731591 0.256687 Si\n0.467272 0.733635 0.712530 H\n0.808090 0.404044 0.208510 H\n0.203591 0.601796 0.612274 O\n",
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"formula_full": "Si1 H2 O1",
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"spacegroup": 8
},
{
"id": "jvasp-118493",
"created_at": "2022-09-04T14:38:53.724318Z",
"updated_at": "2022-09-04T14:38:53.724334Z",
"structure_string": "Si1 H1 O2\n1.0\n3.281430 0.000000 0.000000\n0.000000 3.281430 0.000000\n0.000000 -0.000000 3.454129\nSi H O\n1 1 2\ndirect\n0.500001 0.500001 0.537033 Si\n0.000000 0.000000 0.857542 H\n0.000000 0.000000 0.571809 O\n0.500001 0.500001 0.043617 O\n",
"nsites": 4,
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"spacegroup": 99
},
{
"id": "jvasp-118497",
"created_at": "2022-09-04T14:38:45.112508Z",
"updated_at": "2022-09-04T14:38:45.112524Z",
"structure_string": "Si1 H1 O2\n1.0\n1.358175 0.784143 5.941672\n-1.358175 0.784143 5.941672\n-0.000000 -1.568286 5.941672\nSi H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.499998 0.499998 0.500004 H\n0.282761 0.282761 0.282765 O\n0.717235 0.717235 0.717244 O\n",
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},
{
"id": "jvasp-118494",
"created_at": "2022-09-04T14:38:45.039286Z",
"updated_at": "2022-09-04T14:38:45.039319Z",
"structure_string": "Si1 H1 O1\n1.0\n4.714311 0.255811 0.000000\n-2.502874 2.228610 0.000000\n0.000000 0.000000 2.782581\nSi H O\n1 1 1\ndirect\n0.833343 0.666673 0.000000 Si\n0.333333 0.166677 0.000000 H\n-0.166676 0.166650 0.000000 O\n",
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]
}