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{
"id": "jvasp-65745",
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{
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{
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{
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"created_at": "2022-09-04T14:35:47.377669Z",
"updated_at": "2022-09-04T14:35:47.377699Z",
"structure_string": "K2 Ag2 Se2\n1.0\n4.499550 0.000000 0.000000\n0.000000 4.499550 0.000000\n0.000000 0.000000 7.686138\nK Ag Se\n2 2 2\ndirect\n0.000000 0.500000 0.339703 K\n0.500000 0.000000 0.660297 K\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.221292 Se\n0.000000 0.500000 0.778709 Se\n",
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{
"id": "jvasp-64894",
"created_at": "2022-09-04T14:35:44.770732Z",
"updated_at": "2022-09-04T14:35:44.770761Z",
"structure_string": "Mg1 Be1 Ga4\n1.0\n0.000000 3.801651 3.801651\n3.801651 -0.000000 3.801651\n3.801651 3.801651 -0.000000\nMg Be Ga\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Be\n0.374614 0.374614 0.374614 Ga\n0.374614 0.876159 0.374614 Ga\n0.374614 0.374614 0.876159 Ga\n0.876159 0.374614 0.374614 Ga\n",
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{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
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"elements": [
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{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
"nsites": 22,
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"elements": [
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"density": 3.431081473147026,
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"volume": 560.6278472256689,
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"formula_full": "Sr8 Cl12 O2",
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{
"id": "jvasp-64655",
"created_at": "2022-09-04T14:35:41.499324Z",
"updated_at": "2022-09-04T14:35:41.499350Z",
"structure_string": "Ba4 Cu1 Hg1\n1.0\n-0.000000 5.005448 5.005448\n5.005448 0.000000 5.005448\n5.005448 5.005448 0.000000\nBa Cu Hg\n4 1 1\ndirect\n0.124920 0.625027 0.625027 Ba\n0.625027 0.625027 0.625027 Ba\n0.625027 0.124920 0.625027 Ba\n0.625027 0.625027 0.124920 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-66166",
"created_at": "2022-09-04T14:35:45.860741Z",
"updated_at": "2022-09-04T14:35:45.860769Z",
"structure_string": "Ba1 Na1 Zn1\n1.0\n0.000000 3.999788 3.999788\n3.999788 0.000000 3.999788\n3.999788 3.999788 -0.000000\nBa Na Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "jvasp-66244",
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"structure_string": "Ba1 Zn1 Bi1\n1.0\n0.000000 3.947518 3.947518\n3.947518 0.000000 3.947518\n3.947518 3.947518 0.000000\nBa Zn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-105793",
"created_at": "2022-09-04T14:35:45.874949Z",
"updated_at": "2022-09-04T14:35:45.874974Z",
"structure_string": "Li1 Tl3\n1.0\n4.279623 -0.017516 -4.114766\n-0.787735 4.206536 -4.114766\n0.014601 0.017516 5.936856\nLi Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.499999 Tl\n0.250001 0.750001 0.500001 Tl\n0.500000 0.500000 -0.000001 Tl\n",
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{
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"structure_string": "Rb4 I2 O1\n1.0\n-2.757202 2.757202 9.060444\n2.757202 -2.757202 9.060444\n2.757202 2.757202 -9.060444\nRb I O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.149512 0.149512 0.000000 Rb\n0.850487 0.850487 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.354888 0.354888 0.000000 I\n0.645112 0.645112 0.000000 I\n0.000000 0.000000 0.000000 O\n",
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