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{
"id": "jvasp-79181",
"created_at": "2022-09-04T14:37:09.029307Z",
"updated_at": "2022-09-04T14:37:09.029328Z",
"structure_string": "Mg3 C1\n1.0\n6.198660 -0.883411 0.000000\n-1.932193 3.346657 0.000000\n0.000000 0.000000 3.864471\nMg C\n3 1\ndirect\n0.829501 0.829502 0.250000 Mg\n0.300793 0.300793 0.750000 Mg\n0.829497 0.329497 0.750000 Mg\n0.040211 0.540211 0.250000 C\n",
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{
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"structure_string": "Si2 O4\n1.0\n4.573010 0.000000 2.640229\n1.524337 4.311475 2.640229\n0.000000 0.000000 5.280457\nSi O\n2 4\ndirect\n0.125000 0.125000 0.125000 Si\n0.875000 0.875001 0.875000 Si\n0.000000 0.500001 -0.000000 O\n0.500000 -0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n",
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{
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"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 1.9156685981370511,
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"volume": 222.28701537073783,
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"formula_full": "Na1 Sr1 Mg6",
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"spacegroup": 38
},
{
"id": "jvasp-71241",
"created_at": "2022-09-04T14:35:41.961891Z",
"updated_at": "2022-09-04T14:35:41.961909Z",
"structure_string": "K1 Sc1 Be2\n1.0\n3.472240 -0.000000 0.000000\n-0.000000 3.472240 -0.000000\n0.000000 -0.000000 7.340954\nK Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.647114 Be\n0.000000 0.000000 0.352885 Be\n",
"nsites": 4,
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"elements": [
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"Sc",
"Be"
],
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"density": 1.915189385614262,
"density_atomic": 0.045194752976227846,
"volume": 88.5058493870732,
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"formula_full": "K1 Sc1 Be2",
"formula_reduced": "KScBe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-25162",
"created_at": "2022-09-04T14:37:46.884701Z",
"updated_at": "2022-09-04T14:37:46.884717Z",
"structure_string": "Be1\n1.0\n2.041585 -0.000000 -0.721809\n-1.020792 1.768065 -0.721809\n0.000000 -0.000000 2.165428\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Be",
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"volume": 7.8164479705818595,
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"formula_full": "Be1",
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"energy_above_hull": 0.1078399999999999,
"spacegroup": 229
},
{
"id": "jvasp-14628",
"created_at": "2022-09-04T14:35:55.844233Z",
"updated_at": "2022-09-04T14:35:55.844260Z",
"structure_string": "Be1\n1.0\n2.041585 0.000000 -0.721809\n-1.020792 1.768065 -0.721809\n-0.000000 -0.000000 2.165428\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
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"volume": 7.8164479705818595,
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"formula_full": "Be1",
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"spacegroup": 229
},
{
"id": "jvasp-38230",
"created_at": "2022-09-04T14:37:53.426603Z",
"updated_at": "2022-09-04T14:37:53.426613Z",
"structure_string": "Rb3 Mg1\n1.0\n-3.229838 3.229838 5.835234\n3.229838 -3.229838 5.835234\n3.229838 3.229838 -5.835234\nRb Mg\n3 1\ndirect\n0.499999 0.499999 0.000000 Rb\n0.750001 0.250001 0.500001 Rb\n0.250001 0.750001 0.500001 Rb\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"volume": 243.4892250506168,
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"formula_full": "Rb3 Mg1",
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"spacegroup": 139
},
{
"id": "jvasp-31161",
"created_at": "2022-09-04T14:37:46.282648Z",
"updated_at": "2022-09-04T14:37:46.282670Z",
"structure_string": "Li1 Mg1 P1\n1.0\n4.242096 0.000000 0.000000\n2.121048 3.673763 -0.000000\n2.121048 1.224588 3.463657\nLi Mg P\n1 1 1\ndirect\n0.750001 0.750000 0.750001 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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"elements": [
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"volume": 53.979207785409834,
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"formula_full": "Li1 Mg1 P1",
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"spacegroup": 216
},
{
"id": "jvasp-22540",
"created_at": "2022-09-04T14:37:27.490617Z",
"updated_at": "2022-09-04T14:37:27.490639Z",
"structure_string": "Li1 Mg1 P1\n1.0\n4.242097 0.000000 0.000000\n2.121048 3.673763 -0.000000\n2.121048 1.224588 3.463658\nLi Mg P\n1 1 1\ndirect\n0.750001 0.749999 0.750000 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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"volume": 53.97923609452376,
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"formula_full": "Li1 Mg1 P1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-101856",
"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
"nsites": 16,
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"elements": [
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],
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},
{
"id": "jvasp-79063",
"created_at": "2022-09-04T14:37:10.398330Z",
"updated_at": "2022-09-04T14:37:10.398351Z",
"structure_string": "Na3 C1\n1.0\n-2.313672 2.313672 3.281967\n2.313672 -2.313672 3.281967\n2.313672 2.313672 -3.281967\nNa C\n3 1\ndirect\n0.749999 0.250000 0.500000 Na\n0.250000 0.749999 0.500000 Na\n0.500001 0.500001 0.000000 Na\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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},
{
"id": "jvasp-75041",
"created_at": "2022-09-04T14:35:46.910922Z",
"updated_at": "2022-09-04T14:35:46.910938Z",
"structure_string": "Na2 Be1 P1\n1.0\n5.050776 0.000000 0.000000\n-0.000000 5.050776 0.000000\n-0.000000 0.000000 2.925039\nNa Be P\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.500000 P\n",
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}