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"id": "jvasp-64544",
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{
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{
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"created_at": "2022-09-04T14:36:19.439930Z",
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"structure_string": "Ba4 Zn1 Sn1\n1.0\n-0.000000 5.022587 5.022587\n5.022587 0.000000 5.022587\n5.022587 5.022587 -0.000000\nBa Zn Sn\n4 1 1\ndirect\n0.128076 0.623975 0.623975 Ba\n0.623975 0.623975 0.623975 Ba\n0.623975 0.128076 0.623975 Ba\n0.623975 0.623975 0.128076 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n",
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"formula_full": "Ba4 Zn1 Sn1",
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{
"id": "jvasp-64042",
"created_at": "2022-09-04T14:36:13.120190Z",
"updated_at": "2022-09-04T14:36:13.120215Z",
"structure_string": "Ba4 Zn1 Si1\n1.0\n-0.000000 4.947853 4.947853\n4.947853 -0.000000 4.947853\n4.947853 4.947853 -0.000000\nBa Zn Si\n4 1 1\ndirect\n0.128284 0.623905 0.623905 Ba\n0.623905 0.623905 0.623905 Ba\n0.623905 0.128284 0.623905 Ba\n0.623905 0.623905 0.128284 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"chemical_system": "Ba-Si-Zn",
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"volume": 242.25924568059366,
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"formula_full": "Ba4 Zn1 Si1",
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"spacegroup": 216
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{
"id": "jvasp-64153",
"created_at": "2022-09-04T14:36:05.797173Z",
"updated_at": "2022-09-04T14:36:05.797192Z",
"structure_string": "Ba4 Zn1 Se1\n1.0\n0.000000 4.974452 4.974452\n4.974452 -0.000000 4.974452\n4.974452 4.974452 -0.000000\nBa Zn Se\n4 1 1\ndirect\n0.128699 0.623767 0.623767 Ba\n0.623767 0.623767 0.623767 Ba\n0.623767 0.128699 0.623767 Ba\n0.623767 0.623767 0.128699 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Se\n",
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"volume": 246.18734765874532,
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"formula_full": "Ba4 Zn1 Se1",
"formula_reduced": "Ba4ZnSe",
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{
"id": "jvasp-64547",
"created_at": "2022-09-04T14:35:57.969280Z",
"updated_at": "2022-09-04T14:35:57.969304Z",
"structure_string": "Ba4 Zn1 Sb1\n1.0\n0.000000 5.006421 5.006421\n5.006421 -0.000000 5.006421\n5.006421 5.006421 0.000000\nBa Zn Sb\n4 1 1\ndirect\n0.129257 0.623581 0.623581 Ba\n0.623581 0.623581 0.623581 Ba\n0.623581 0.129257 0.623581 Ba\n0.623581 0.623581 0.129257 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
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"spacegroup": 216
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{
"id": "jvasp-66364",
"created_at": "2022-09-04T14:36:20.169430Z",
"updated_at": "2022-09-04T14:36:20.169440Z",
"structure_string": "Ba4 Zn1 Rh1\n1.0\n0.000000 4.830393 4.830393\n4.830393 0.000000 4.830393\n4.830393 4.830393 0.000000\nBa Zn Rh\n4 1 1\ndirect\n0.127107 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127107 0.624297 Ba\n0.624297 0.624297 0.127107 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n",
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"formula_full": "Ba4 Zn1 Rh1",
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{
"id": "jvasp-66527",
"created_at": "2022-09-04T14:35:45.434011Z",
"updated_at": "2022-09-04T14:35:45.434036Z",
"structure_string": "Ba4 Zn1 Re1\n1.0\n-0.000000 4.759682 4.759682\n4.759682 0.000000 4.759682\n4.759682 4.759682 0.000000\nBa Zn Re\n4 1 1\ndirect\n0.127473 0.624175 0.624175 Ba\n0.624175 0.624175 0.624175 Ba\n0.624175 0.127473 0.624175 Ba\n0.624175 0.624175 0.127473 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Re\n",
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],
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"formula_full": "Ba4 Zn1 Re1",
"formula_reduced": "Ba4ZnRe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66642",
"created_at": "2022-09-04T14:35:45.886612Z",
"updated_at": "2022-09-04T14:35:45.886644Z",
"structure_string": "Ba4 Zn1 Pt1\n1.0\n0.000000 4.832662 4.832662\n4.832662 -0.000000 4.832662\n4.832662 4.832662 0.000000\nBa Zn Pt\n4 1 1\ndirect\n0.127712 0.624096 0.624096 Ba\n0.624096 0.624096 0.624096 Ba\n0.624096 0.127712 0.624096 Ba\n0.624096 0.624096 0.127712 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"formula_full": "Ba4 Zn1 Pt1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-64014",
"created_at": "2022-09-04T14:35:51.344648Z",
"updated_at": "2022-09-04T14:35:51.344657Z",
"structure_string": "Ba4 Zn1 Pd1\n1.0\n0.000000 4.910052 4.910052\n4.910052 0.000000 4.910052\n4.910052 4.910052 -0.000000\nBa Zn Pd\n4 1 1\ndirect\n0.126454 0.624515 0.624515 Ba\n0.624515 0.624515 0.624515 Ba\n0.624515 0.126454 0.624515 Ba\n0.624515 0.624515 0.126454 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-64389",
"created_at": "2022-09-04T14:35:51.874225Z",
"updated_at": "2022-09-04T14:35:51.874255Z",
"structure_string": "Ba4 Zn1 Pb1\n1.0\n-0.000000 5.051475 5.051475\n5.051475 0.000000 5.051475\n5.051475 5.051475 0.000000\nBa Zn Pb\n4 1 1\ndirect\n0.127747 0.624085 0.624085 Ba\n0.624085 0.624085 0.624085 Ba\n0.624085 0.127747 0.624085 Ba\n0.624085 0.624085 0.127747 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pb\n",
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{
"id": "jvasp-66154",
"created_at": "2022-09-04T14:36:09.506550Z",
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"structure_string": "Ba4 Zn1 Os1\n1.0\n-0.000000 4.745922 4.745922\n4.745922 -0.000000 4.745922\n4.745922 4.745922 0.000000\nBa Zn Os\n4 1 1\ndirect\n0.127664 0.624112 0.624112 Ba\n0.624112 0.624112 0.624112 Ba\n0.624112 0.127664 0.624112 Ba\n0.624112 0.624112 0.127664 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Os\n",
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