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{
"id": "jvasp-85506",
"created_at": "2022-09-04T14:36:09.637440Z",
"updated_at": "2022-09-04T14:36:09.637469Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
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{
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"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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},
{
"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",
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"formula_full": "Si1 H2 O1",
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},
{
"id": "jvasp-118498",
"created_at": "2022-09-04T14:38:52.401201Z",
"updated_at": "2022-09-04T14:38:52.401228Z",
"structure_string": "Si1 H1 O1\n1.0\n2.875647 0.000000 0.000000\n0.000000 2.875647 -0.000000\n-0.000000 0.000000 3.419454\nSi H O\n1 1 1\ndirect\n0.500001 0.500001 0.000000 Si\n0.500001 0.500001 0.499999 H\n0.000000 0.000000 0.000000 O\n",
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"volume": 28.276647123907715,
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"formula_full": "Si1 H1 O1",
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"spacegroup": 123
},
{
"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",
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"density": 2.72753483046018,
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"formula_full": "Si1 H1 O2",
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"spacegroup": 99
},
{
"id": "jvasp-118495",
"created_at": "2022-09-04T14:38:53.220835Z",
"updated_at": "2022-09-04T14:38:53.220860Z",
"structure_string": "Si2 H2 O2\n1.0\n3.284794 0.000000 0.000000\n0.000000 2.854500 0.000000\n0.000000 0.000000 6.614733\nSi H O\n2 2 2\ndirect\n0.499999 0.000000 0.773234 Si\n0.000000 0.500000 0.226765 Si\n0.000000 0.000000 0.862116 H\n0.499999 0.500000 0.137883 H\n0.000000 0.000000 0.360420 O\n0.499999 0.500000 0.639579 O\n",
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"formula_full": "Si2 H2 O2",
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"spacegroup": 59
},
{
"id": "jvasp-18187",
"created_at": "2022-09-04T14:37:30.943773Z",
"updated_at": "2022-09-04T14:37:30.943792Z",
"structure_string": "Ho2 Ti2 Si2\n1.0\n4.021213 0.000000 0.000000\n0.000000 4.021213 0.000000\n-0.000000 0.000000 7.518619\nHo Ti Si\n2 2 2\ndirect\n0.500000 0.000000 0.345056 Ho\n0.000000 0.500000 0.654944 Ho\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.758781 Si\n0.000000 0.500000 0.241219 Si\n",
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"formula_full": "Ho2 Ti2 Si2",
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"spacegroup": 129
},
{
"id": "jvasp-26950",
"created_at": "2022-09-04T14:37:58.620100Z",
"updated_at": "2022-09-04T14:37:58.620121Z",
"structure_string": "Ho8 Ti12 Si16\n1.0\n7.054518 0.000000 0.000000\n0.000000 7.054518 -0.000000\n-0.000000 -0.000000 12.948117\nHo Ti Si\n8 12 16\ndirect\n0.340364 0.001655 0.466950 Ho\n0.498345 0.840364 0.716950 Ho\n0.501655 0.159636 0.216950 Ho\n0.840364 0.498345 0.283050 Ho\n0.159636 0.501655 0.783050 Ho\n0.659637 0.998346 0.966950 Ho\n0.001655 0.340364 0.533050 Ho\n0.998346 0.659637 0.033050 Ho\n0.992671 0.847061 0.624102 Ti\n0.007329 0.152940 0.124102 Ti\n0.347061 0.507329 0.374102 Ti\n0.652940 0.492671 0.874102 Ti\n0.507329 0.347061 0.625898 Ti\n0.847061 0.992671 0.375898 Ti\n0.152940 0.007329 0.875898 Ti\n0.672230 0.672230 0.500000 Ti\n0.827770 0.172230 0.750000 Ti\n0.172230 0.827770 0.250000 Ti\n0.327770 0.327770 0.000000 Ti\n0.492671 0.652940 0.125898 Ti\n0.708878 0.045173 0.564927 Si\n0.208878 0.454827 0.185073 Si\n0.791123 0.545174 0.685073 Si\n0.454827 0.208878 0.814927 Si\n0.545174 0.791123 0.314927 Si\n0.291122 0.954827 0.064927 Si\n0.869599 0.797491 0.816927 Si\n0.297491 0.630401 0.566927 Si\n0.797491 0.869599 0.183073 Si\n0.702509 0.369599 0.066927 Si\n0.630401 0.297491 0.433074 Si\n0.369599 0.702509 0.933074 Si\n0.202509 0.130401 0.683074 Si\n0.954827 0.291122 0.935073 Si\n0.130401 0.202509 0.316927 Si\n0.045173 0.708878 0.435073 Si\n",
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],
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"formula_full": "Ho8 Ti12 Si16",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 92
},
{
"id": "jvasp-98600",
"created_at": "2022-09-04T14:35:53.791232Z",
"updated_at": "2022-09-04T14:35:53.791249Z",
"structure_string": "Zn4 Si2 H4 O10\n1.0\n-4.235699 5.402882 2.563187\n4.235699 -5.402882 2.563187\n4.235699 5.402882 -2.563187\nZn Si H O\n4 2 4 10\ndirect\n0.840535 0.206046 0.042429 Zn\n0.163616 0.798105 0.957571 Zn\n0.840535 0.798105 0.634489 Zn\n0.163616 0.206045 0.365511 Zn\n0.362775 0.508832 0.853944 Si\n0.654889 0.508832 0.146056 Si\n0.651739 0.062076 0.410336 H\n0.651739 0.241403 0.589663 H\n0.179881 0.559970 0.380088 H\n0.179881 0.799794 0.619912 H\n0.597797 0.597797 -0.000000 O\n0.430679 0.796565 0.955474 O\n0.841090 0.475205 0.044526 O\n0.430679 0.475205 0.634114 O\n0.841090 0.796565 0.365886 O\n0.028174 0.192617 0.835557 O\n0.357060 0.192617 0.164443 O\n0.030301 0.338305 0.308004 O\n0.030301 0.722297 0.691996 O\n0.529926 0.029926 0.500000 O\n",
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"formula_full": "Zn4 Si2 H4 O10",
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"spacegroup": 44
},
{
"id": "jvasp-122859",
"created_at": "2022-09-04T14:38:55.017229Z",
"updated_at": "2022-09-04T14:38:55.017264Z",
"structure_string": "Sm3 Ho1\n1.0\n1.790347 -3.100971 0.000000\n1.790347 3.100971 -0.000000\n0.000000 0.000000 11.549781\nSm Ho\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.247280 Sm\n0.666668 0.333334 0.752720 Sm\n0.000000 0.000000 0.000000 Ho\n",
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"formula_full": "Sm3 Ho1",
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"spacegroup": 164
},
{
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"created_at": "2022-09-04T14:36:41.666294Z",
"updated_at": "2022-09-04T14:36:41.666315Z",
"structure_string": "Sm2 Ho6\n1.0\n7.144966 -0.000000 0.000000\n-3.572483 6.187723 0.000000\n-0.000000 -0.000000 5.616082\nSm Ho\n2 6\ndirect\n0.333334 0.666666 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.165816 0.331631 0.250000 Ho\n0.668370 0.834184 0.250000 Ho\n0.165816 0.834184 0.250000 Ho\n0.834185 0.668369 0.750000 Ho\n0.331631 0.165815 0.750000 Ho\n0.834185 0.165815 0.750000 Ho\n",
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{
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"structure_string": "Sm6 Ho2\n1.0\n3.598570 -6.232905 0.000000\n3.598570 6.232905 0.000000\n0.000000 0.000000 5.737898\nSm Ho\n6 2\ndirect\n0.167173 0.832827 0.750000 Sm\n0.665653 0.832827 0.750000 Sm\n0.167173 0.334347 0.750000 Sm\n0.832827 0.167173 0.250000 Sm\n0.334347 0.167173 0.250000 Sm\n0.832827 0.665653 0.250000 Sm\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
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}