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{
"id": "jvasp-104927",
"created_at": "2022-09-04T14:36:57.439433Z",
"updated_at": "2022-09-04T14:36:57.439457Z",
"structure_string": "Sr2 Zn1 As2\n1.0\n4.373863 0.000000 0.000000\n-2.186932 3.787876 0.000000\n-0.000000 -0.000000 8.411508\nSr Zn As\n2 1 2\ndirect\n0.000000 0.000000 0.708916 Sr\n0.000000 0.000000 0.291084 Sr\n0.666666 0.333334 -0.000000 Zn\n0.666666 0.333334 0.500000 As\n0.333334 0.666667 -0.000000 As\n",
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{
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"structure_string": "Sr2 Zn1 Bi2\n1.0\n4.802988 0.000000 -0.000000\n-2.401494 4.159508 0.000000\n0.000000 -0.000000 8.709616\nSr Zn Bi\n2 1 2\ndirect\n0.666668 0.333333 0.721023 Sr\n0.666668 0.333333 0.278978 Sr\n0.333334 0.666667 0.000000 Zn\n0.333334 0.666667 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Sr2 Zn1 Cd1\n1.0\n-12.533758 4.260025 -0.279781\n-9.678390 2.416376 3.001934\n-8.337829 6.208048 0.680018\nSr Zn Cd\n2 1 1\ndirect\n0.730847 0.015229 0.015228 Sr\n0.269154 -0.015228 -0.015229 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000001 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.027415126266989,
"density_atomic": 0.027478231232894727,
"volume": 145.56977725740666,
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"formula_full": "Sr2 Zn1 Cd1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-8203",
"created_at": "2022-09-04T14:38:10.328735Z",
"updated_at": "2022-09-04T14:38:10.328762Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933326 -0.000000 -0.867737\n-0.191433 3.928664 -0.867737\n-0.004211 -0.004420 9.329369\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592247 0.592245 0.184491 Sr\n0.407755 0.407754 0.815509 Sr\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.827658 0.827656 0.655313 S\n0.172344 0.172343 0.344686 S\n0.500001 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.344154546292808,
"density_atomic": 0.06244193055655265,
"volume": 144.1339164209352,
"volume_molar": 9.64438592196608,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
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"spacegroup": 139
},
{
"id": "jvasp-8368",
"created_at": "2022-09-04T14:37:05.008152Z",
"updated_at": "2022-09-04T14:37:05.008178Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933188 0.000000 -0.867707\n-0.191427 3.928527 -0.867707\n-0.003961 -0.004158 9.330175\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592244 0.592245 0.184487 Sr\n0.407756 0.407756 0.815512 Sr\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n0.827657 0.827658 0.655314 S\n0.172342 0.172342 0.344685 S\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 9,
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"elements": [
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"density": 5.34400027289466,
"density_atomic": 0.06244012800224206,
"volume": 144.13807735430706,
"volume_molar": 9.64466434114895,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
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"spacegroup": 139
},
{
"id": "jvasp-110863",
"created_at": "2022-09-04T14:38:38.085059Z",
"updated_at": "2022-09-04T14:38:38.085081Z",
"structure_string": "Sr2 Zn1 Ga1\n1.0\n4.743265 -0.000000 2.738525\n1.581088 4.471993 2.738525\n-0.000000 -0.000000 5.477050\nSr Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Sr\n0.750000 0.749999 0.750002 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500001 Ga\n",
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"elements": [
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"density": 4.436152044673783,
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"volume": 116.17835141551703,
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"formula_full": "Sr2 Zn1 Ga1",
"formula_reduced": "Sr2ZnGa",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-80994",
"created_at": "2022-09-04T14:37:06.419858Z",
"updated_at": "2022-09-04T14:37:06.419889Z",
"structure_string": "Sr2 Zn1 Ge1\n1.0\n-11.005337 0.000000 -6.353935\n-10.945102 -0.028131 6.249603\n-7.303551 10.271727 -0.057746\nSr Zn Ge\n2 1 1\ndirect\n0.729216 0.000000 0.000000 Sr\n0.270784 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"density": 0.36581504489983896,
"density_atomic": 0.0028127252387078463,
"volume": 1422.108332855712,
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"formula_full": "Sr2 Zn1 Ge1",
"formula_reduced": "Sr2ZnGe",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-105255",
"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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"density": 6.0605793808046355,
"density_atomic": 0.033086524202051014,
"volume": 120.89514073986781,
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"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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],
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"density": 4.693345343470795,
"density_atomic": 0.03180490600076981,
"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-11680",
"created_at": "2022-09-04T14:37:58.973966Z",
"updated_at": "2022-09-04T14:37:58.973986Z",
"structure_string": "Sr2 Zn1 Mo1 O6\n1.0\n4.887685 -0.000000 2.821906\n1.629229 4.608154 2.821906\n-0.000000 0.000000 5.643813\nSr Zn Mo O\n2 1 1 6\ndirect\n0.250001 0.250001 0.250000 Sr\n0.750001 0.749999 0.750000 Sr\n0.500000 0.499999 0.500002 Zn\n0.000000 0.000000 0.000000 Mo\n0.240477 0.759523 0.759523 O\n0.240477 0.759523 0.240477 O\n0.759523 0.240477 0.759523 O\n0.240476 0.240477 0.759524 O\n0.759523 0.240477 0.240478 O\n0.759523 0.759523 0.240478 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.650906823149068,
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"volume": 127.11675821624824,
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"formula_full": "Sr2 Zn1 Mo1 O6",
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{
"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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"formula_full": "Sr2 Zn1 N2",
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},
{
"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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"formula_full": "Sr2 Zn1 P2",
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}
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