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{
"id": "jvasp-69156",
"created_at": "2022-09-04T14:36:14.625627Z",
"updated_at": "2022-09-04T14:36:14.625646Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n0.000000 4.217125 4.217125\n4.217125 0.000000 4.217125\n4.217125 4.217125 -0.000000\nBa Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Zn\n",
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{
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"structure_string": "Li1 Be1 Hg4\n1.0\n0.000000 4.192005 4.192005\n4.192005 -0.000000 4.192005\n4.192005 4.192005 -0.000000\nLi Be Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.624943 0.125174 0.624943 Hg\n0.125174 0.624943 0.624943 Hg\n0.624943 0.624943 0.624943 Hg\n0.624943 0.624943 0.125174 Hg\n",
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{
"id": "jvasp-107921",
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"structure_string": "Er1 Tm1 Hg2\n1.0\n4.485163 -0.000000 2.589510\n1.495054 4.228653 2.589510\n-0.000000 -0.000000 5.179021\nEr Tm Hg\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.749999 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-66381",
"created_at": "2022-09-04T14:35:59.305852Z",
"updated_at": "2022-09-04T14:35:59.305872Z",
"structure_string": "Ba1 Zn1 Pb1\n1.0\n0.000000 3.904490 3.904490\n3.904490 0.000000 3.904490\n3.904490 3.904490 0.000000\nBa Zn Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
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],
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"volume": 119.0482293273777,
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"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-99704",
"created_at": "2022-09-04T14:36:15.358348Z",
"updated_at": "2022-09-04T14:36:15.358370Z",
"structure_string": "Rb2 Cu1 Sb1 I6\n1.0\n7.152972 0.000000 4.129771\n2.384324 6.743887 4.129771\n-0.000000 -0.000000 8.259541\nRb Cu Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741321 0.258679 0.258679 I\n0.258679 0.258679 0.741321 I\n0.258678 0.741321 0.741321 I\n0.258678 0.741321 0.258679 I\n0.741321 0.258679 0.741321 I\n0.741320 0.741321 0.258679 I\n",
"nsites": 10,
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"elements": [
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"Sb",
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],
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"density": 4.658105863865942,
"density_atomic": 0.02509847168883612,
"volume": 398.43063450146377,
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"formula_full": "Rb2 Cu1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-102375",
"created_at": "2022-09-04T14:36:41.114157Z",
"updated_at": "2022-09-04T14:36:41.114177Z",
"structure_string": "K2 In1 Ga1 Cl6\n1.0\n6.488584 -0.000000 3.746186\n2.162861 6.117496 3.746186\n-0.000000 -0.000000 7.492371\nK In Ga Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.739787 0.260212 0.260213 Cl\n0.260212 0.260212 0.739788 Cl\n0.260212 0.739788 0.739788 Cl\n0.260212 0.739788 0.260213 Cl\n0.739787 0.260212 0.739789 Cl\n0.739787 0.739788 0.260213 Cl\n",
"nsites": 10,
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"formula_full": "K2 In1 Ga1 Cl6",
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{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
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"density_atomic": 0.030416200499825866,
"volume": 263.0177296485733,
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"formula_full": "Rb1 Mg6 Cd1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-90503",
"created_at": "2022-09-04T14:35:40.965297Z",
"updated_at": "2022-09-04T14:35:40.965320Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145491 -0.000000 2.970751\n1.715164 4.851216 2.970751\n-0.000000 0.000000 5.941502\nRb Ni F\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215650 0.784349 0.784349 F\n0.215650 0.784349 0.215651 F\n0.784348 0.215651 0.784348 F\n0.784348 0.215651 0.215651 F\n0.784348 0.784349 0.215651 F\n0.215651 0.215651 0.784349 F\n",
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"volume": 148.31110906248975,
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"formula_full": "Rb2 Ni1 F6",
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{
"id": "jvasp-93190",
"created_at": "2022-09-04T14:35:41.879867Z",
"updated_at": "2022-09-04T14:35:41.879884Z",
"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
"nsites": 8,
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},
{
"id": "jvasp-90847",
"created_at": "2022-09-04T14:35:46.418582Z",
"updated_at": "2022-09-04T14:35:46.418603Z",
"structure_string": "Sr2 Zn2 As2 F2\n1.0\n4.128799 0.000000 0.000000\n-0.000000 4.128799 0.000000\n-0.000000 -0.000000 9.111187\nSr Zn As F\n2 2 2 2\ndirect\n0.750000 0.750000 0.846135 Sr\n0.250000 0.250000 0.153865 Sr\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.750000 0.750000 0.327560 As\n0.250000 0.250000 0.672441 As\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
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{
"id": "jvasp-63330",
"created_at": "2022-09-04T14:35:50.865256Z",
"updated_at": "2022-09-04T14:35:50.865282Z",
"structure_string": "Er1 Cu4 Au1\n1.0\n0.000000 3.551159 3.551159\n3.551159 0.000000 3.551159\n3.551159 3.551159 0.000000\nEr Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.126846 0.624385 0.624385 Cu\n0.624385 0.126846 0.624385 Cu\n0.624385 0.624385 0.126846 Cu\n0.624385 0.624385 0.624385 Cu\n0.250000 0.250000 0.250000 Au\n",
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{
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"structure_string": "Ag1 F1\n1.0\n3.034389 -0.000000 1.751905\n1.011463 2.860850 1.751905\n0.000000 0.000000 3.503811\nAg F\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.499999 F\n",
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