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{
"id": "jvasp-15791",
"created_at": "2022-09-04T14:36:35.200457Z",
"updated_at": "2022-09-04T14:36:35.200481Z",
"structure_string": "Sr1 Zn2 Ge2\n1.0\n4.142104 -0.000000 -1.577469\n-0.600759 4.098306 -1.577469\n-0.014415 -0.016682 6.189035\nSr Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750001 0.500000 Zn\n0.620233 0.620234 0.240466 Ge\n0.379767 0.379767 0.759533 Ge\n",
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"volume": 104.84464012388196,
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{
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"created_at": "2022-09-04T14:37:00.436867Z",
"updated_at": "2022-09-04T14:37:00.436887Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n4.806607 -0.000000 2.775096\n1.602202 4.531712 2.775096\n-0.000000 -0.000000 5.550191\nSr Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500001 Hg\n",
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"volume": 120.89514073986781,
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"formula_full": "Sr2 Zn1 Hg1",
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{
"id": "jvasp-99846",
"created_at": "2022-09-04T14:36:09.262826Z",
"updated_at": "2022-09-04T14:36:09.262851Z",
"structure_string": "Sr2 Zn1 In1\n1.0\n4.870321 -0.000000 2.811882\n1.623441 4.591783 2.811882\n-0.000000 -0.000000 5.623762\nSr Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-Sr-Zn",
"density": 4.693345343470795,
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"volume": 125.76676063445002,
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"formula_full": "Sr2 Zn1 In1",
"formula_reduced": "Sr2ZnIn",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-102672",
"created_at": "2022-09-04T14:36:54.648258Z",
"updated_at": "2022-09-04T14:36:54.648284Z",
"structure_string": "Sr1 Zn1 In3\n1.0\n4.407095 0.000761 -5.329168\n-0.570334 4.370035 -5.329168\n-0.000668 -0.000761 6.915383\nSr Zn In\n1 1 3\ndirect\n0.005251 0.005251 0.000000 Sr\n0.614008 0.614007 0.000001 Zn\n0.741696 0.241696 0.500000 In\n0.241696 0.741696 0.500001 In\n0.397353 0.397352 0.000001 In\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.204125085057433,
"density_atomic": 0.037551147041983736,
"volume": 133.15172488365783,
"volume_molar": 16.037168593723646,
"formula_full": "Sr1 Zn1 In3",
"formula_reduced": "SrZnIn3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-2946",
"created_at": "2022-09-04T14:36:48.158465Z",
"updated_at": "2022-09-04T14:36:48.158479Z",
"structure_string": "Sr2 Zn1 N2\n1.0\n3.706652 0.000000 -1.059127\n-0.302632 3.694278 -1.059127\n-0.007927 -0.008602 6.987959\nSr Zn N\n2 1 2\ndirect\n0.658619 0.658620 0.317238 Sr\n0.341380 0.341381 0.682761 Sr\n0.000000 0.000000 0.000000 Zn\n0.856517 0.856519 0.713033 N\n0.143482 0.143483 0.286966 N\n",
"nsites": 5,
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],
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"density": 4.665529193424199,
"density_atomic": 0.05228955285964715,
"volume": 95.62139522249761,
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"formula_full": "Sr2 Zn1 N2",
"formula_reduced": "Sr2ZnN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-9729",
"created_at": "2022-09-04T14:37:06.966995Z",
"updated_at": "2022-09-04T14:37:06.967005Z",
"structure_string": "Sr4 Zn4 O8\n1.0\n3.358940 0.000000 0.000000\n-0.000000 5.866866 0.000000\n0.000000 0.000000 11.389466\nSr Zn O\n4 4 8\ndirect\n0.250000 0.318993 0.632969 Sr\n0.750000 0.681008 0.367032 Sr\n0.250000 0.818993 0.867032 Sr\n0.750000 0.181008 0.132968 Sr\n0.750000 0.805983 0.628106 Zn\n0.750000 0.305983 0.871895 Zn\n0.250000 0.194018 0.371895 Zn\n0.250000 0.694018 0.128106 Zn\n0.250000 0.238797 0.961222 O\n0.750000 0.761204 0.038778 O\n0.250000 0.738797 0.538778 O\n0.750000 0.261204 0.461222 O\n0.250000 0.441000 0.241205 O\n0.750000 0.059001 0.741205 O\n0.250000 0.941000 0.258795 O\n0.750000 0.559001 0.758795 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Sr-Zn",
"density": 5.475632545943182,
"density_atomic": 0.07128664979663052,
"volume": 224.4459523016646,
"volume_molar": 8.447781986080438,
"formula_full": "Sr4 Zn4 O8",
"formula_reduced": "SrZnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-102552",
"created_at": "2022-09-04T14:36:45.410527Z",
"updated_at": "2022-09-04T14:36:45.410553Z",
"structure_string": "Sr1 Zn1 O3\n1.0\n3.946084 -0.000000 0.000000\n0.000000 3.946084 0.000000\n-0.000000 -0.000000 3.946084\nSr Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Zn\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"density_atomic": 0.08137125737534708,
"volume": 61.44675849036152,
"volume_molar": 7.400820577493643,
"formula_full": "Sr1 Zn1 O3",
"formula_reduced": "SrZnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-99503",
"created_at": "2022-09-04T14:36:43.619654Z",
"updated_at": "2022-09-04T14:36:43.619673Z",
"structure_string": "Sr2 Zn1 P2\n1.0\n4.231991 0.000000 0.000000\n-2.115996 3.665012 0.000000\n-0.000000 -0.000000 8.320507\nSr Zn P\n2 1 2\ndirect\n0.000000 0.000000 0.705730 Sr\n0.000000 0.000000 0.294271 Sr\n0.666666 0.333333 -0.000000 Zn\n0.666666 0.333333 0.500000 P\n0.333332 0.666666 -0.000000 P\n",
"nsites": 5,
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],
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"density": 3.893526237546004,
"density_atomic": 0.038743609400083756,
"volume": 129.05354140776547,
"volume_molar": 15.543571838681046,
"formula_full": "Sr2 Zn1 P2",
"formula_reduced": "Sr2ZnP2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5082828040000001,
"spacegroup": 187
},
{
"id": "jvasp-2751",
"created_at": "2022-09-04T14:38:03.939621Z",
"updated_at": "2022-09-04T14:38:03.939650Z",
"structure_string": "Sr1 Zn2 P2\n1.0\n2.058181 -3.564874 0.000000\n2.058181 3.564874 0.000000\n0.000000 0.000000 7.109580\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.631628 Zn\n0.333333 0.666667 0.368372 Zn\n0.666667 0.333333 0.272566 P\n0.333333 0.666667 0.727434 P\n",
"nsites": 5,
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"elements": [
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"Zn",
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],
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"density": 4.462754483585924,
"density_atomic": 0.04792568336509962,
"volume": 104.32819417325395,
"volume_molar": 12.565581410958941,
"formula_full": "Sr1 Zn2 P2",
"formula_reduced": "Sr(ZnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3233976220000003,
"spacegroup": 164
},
{
"id": "jvasp-92290",
"created_at": "2022-09-04T14:36:22.441987Z",
"updated_at": "2022-09-04T14:36:22.442012Z",
"structure_string": "Sr1 Zn2 P2\n1.0\n-2.058182 -3.564880 -0.000002\n-2.058186 3.564881 0.000000\n-0.000005 -0.000002 -7.109720\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333336 0.666668 0.631657 Zn\n0.666664 0.333332 0.368343 Zn\n0.333331 0.666665 0.272584 P\n0.666668 0.333334 0.727416 P\n",
"nsites": 5,
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"volume": 104.33059087884861,
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"formula_full": "Sr1 Zn2 P2",
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"spacegroup": 164
},
{
"id": "jvasp-35091",
"created_at": "2022-09-04T14:37:33.920396Z",
"updated_at": "2022-09-04T14:37:33.920429Z",
"structure_string": "Sr2 Zn2 Pb2\n1.0\n2.378605 -4.119866 0.000000\n2.378605 4.119866 -0.000000\n0.000000 -0.000000 9.034696\nSr Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.750000 Zn\n0.333334 0.666668 0.750000 Pb\n0.666668 0.333334 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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"Zn",
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],
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"density": 6.75629817220038,
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"volume": 177.071618858834,
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"formula_full": "Sr2 Zn2 Pb2",
"formula_reduced": "SrZnPb",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-108890",
"created_at": "2022-09-04T14:38:27.864962Z",
"updated_at": "2022-09-04T14:38:27.864990Z",
"structure_string": "Sr2 Zn1 Pt1\n1.0\n4.587932 -0.000000 2.648844\n1.529311 4.325544 2.648844\n-0.000000 -0.000000 5.297688\nSr Zn Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.882171102149936,
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"volume": 105.13421685793107,
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"formula_full": "Sr2 Zn1 Pt1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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