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{
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"structure_string": "Sr1 Ca1 S1\n1.0\n0.000000 3.772494 3.772494\n3.772494 -0.000000 3.772494\n3.772494 3.772494 -0.000000\nSr Ca S\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
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{
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"structure_string": "Sr1 Ca1 S1\n1.0\n4.202976 0.000000 0.000000\n0.000000 4.202976 0.000000\n0.000000 0.000000 8.843740\nSr Ca S\n1 1 1\ndirect\n0.000000 0.000000 0.046510 Sr\n0.000000 0.000000 0.476457 Ca\n0.000000 0.000000 0.752204 S\n",
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"volume": 156.2247312752714,
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"formula_full": "Sr1 Ca1 S1",
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{
"id": "jvasp-114183",
"created_at": "2022-09-04T14:38:39.725553Z",
"updated_at": "2022-09-04T14:38:39.725571Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n5.313147 -0.000000 0.000000\n-2.656573 4.601320 -0.000000\n0.000000 0.000000 3.942673\nSr Ca S\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666666 0.000000 S\n",
"nsites": 3,
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"density_atomic": 0.03112405877131957,
"volume": 96.38845698249555,
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"formula_full": "Sr1 Ca1 S1",
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"spacegroup": 187
},
{
"id": "jvasp-99928",
"created_at": "2022-09-04T14:36:52.529667Z",
"updated_at": "2022-09-04T14:36:52.529691Z",
"structure_string": "Sr1 Ca1 S2\n1.0\n4.152177 0.000000 -0.000000\n0.000000 4.152177 0.000000\n-0.000000 -0.000000 5.869476\nSr Ca S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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"elements": [
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"formula_full": "Sr1 Ca1 S2",
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{
"id": "jvasp-40843",
"created_at": "2022-09-04T14:37:47.485573Z",
"updated_at": "2022-09-04T14:37:47.485600Z",
"structure_string": "Sr1 Ca1 Si1\n1.0\n4.419082 -0.000000 2.551359\n1.473028 4.166351 2.551359\n0.000000 -0.000000 5.102717\nSr Ca Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Si\n",
"nsites": 3,
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"volume": 93.94840212059869,
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"spacegroup": 216
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{
"id": "jvasp-103052",
"created_at": "2022-09-04T14:36:36.356336Z",
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"structure_string": "Sr1 Ca1 Si4\n1.0\n3.957243 0.000000 0.000000\n-1.978621 3.427073 0.000000\n-0.000000 0.000000 10.050758\nSr Ca Si\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.716559 Si\n0.666667 0.333333 0.198727 Si\n0.333333 0.666666 0.801274 Si\n0.333333 0.666666 0.283441 Si\n",
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"formula_full": "Sr1 Ca1 Si4",
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"structure_string": "Sr1 Ca1 Si4\n1.0\n4.180989 -0.009893 -6.239380\n-0.394754 4.162323 -6.239380\n0.009020 0.009893 7.510689\nSr Ca Si\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250001 0.749999 0.500000 Ca\n0.666254 0.166251 0.500000 Si\n0.586114 0.586113 0.000001 Si\n0.833750 0.333747 0.500001 Si\n0.413888 0.413887 0.000000 Si\n",
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"formula_full": "Sr1 Ca1 Si4",
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{
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"created_at": "2022-09-04T14:37:01.560276Z",
"updated_at": "2022-09-04T14:37:01.560302Z",
"structure_string": "Sr1 Ca1 Sn1\n1.0\n4.656906 -0.000000 2.688666\n1.552302 4.390572 2.688666\n-0.000000 -0.000000 5.377330\nSr Ca Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n",
"nsites": 3,
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{
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"created_at": "2022-09-04T14:37:11.886674Z",
"updated_at": "2022-09-04T14:37:11.886705Z",
"structure_string": "Sr1 Ca1 Tl2\n1.0\n-0.000004 3.956790 3.956764\n3.956756 0.000002 3.956758\n3.956766 3.956793 -0.000007\nSr Ca Tl\n1 1 2\ndirect\n0.749998 0.750001 0.750000 Sr\n0.249998 0.249999 0.250001 Ca\n0.000000 -0.000000 0.000000 Tl\n0.499999 0.500001 0.500001 Tl\n",
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"volume": 123.89486090462422,
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},
{
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"created_at": "2022-09-04T14:36:06.722103Z",
"updated_at": "2022-09-04T14:36:06.722122Z",
"structure_string": "Sr1 Ca2 Be1\n1.0\n4.869770 0.000000 0.000000\n0.000000 4.869770 0.000000\n0.000000 0.000000 5.433003\nSr Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n",
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{
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"structure_string": "Sr1 Ca2 Fe3 O6\n1.0\n3.847547 -0.000000 0.000000\n0.000000 3.847547 0.000000\n-0.000000 -0.000000 9.859974\nSr Ca Fe O\n1 2 3 6\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.500000 0.338771 Ca\n0.500000 0.500000 0.661229 Ca\n0.000000 0.000000 0.814153 Fe\n0.000000 0.000000 0.185847 Fe\n0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.181583 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.818417 O\n0.500000 0.000000 0.181583 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.818417 O\n",
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