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{
"id": "jvasp-94081",
"created_at": "2022-09-04T14:35:43.504591Z",
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{
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"structure_string": "Ca1 Mg6 V1\n1.0\n6.705870 -1.796059 0.000000\n-4.908367 8.501539 0.000000\n0.000000 0.000000 3.862926\nCa Mg V\n1 6 1\ndirect\n0.249970 0.374984 0.250000 Ca\n0.750081 0.375049 0.250000 Mg\n0.750080 0.875032 0.250000 Mg\n0.250056 0.099333 0.750001 Mg\n0.250056 0.650724 0.750001 Mg\n0.698535 0.099267 0.750001 Mg\n0.801336 0.650669 0.750001 Mg\n0.249884 0.874941 0.250000 V\n",
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{
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"updated_at": "2022-09-04T14:35:44.559111Z",
"structure_string": "Ba2 Hg1 Cl1\n1.0\n0.000000 4.114289 4.114289\n4.114289 0.000000 4.114289\n4.114289 4.114289 0.000000\nBa Hg Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-96987",
"created_at": "2022-09-04T14:35:45.693751Z",
"updated_at": "2022-09-04T14:35:45.693782Z",
"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
"nsites": 20,
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"elements": [
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"density": 3.351721330365504,
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"formula_full": "K4 Cd4 Cl12",
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{
"id": "jvasp-94731",
"created_at": "2022-09-04T14:35:41.445406Z",
"updated_at": "2022-09-04T14:35:41.445427Z",
"structure_string": "Li1 Ca1 Mg6\n1.0\n6.708491 0.147425 0.000000\n-3.226572 5.588586 0.000000\n0.000000 0.000000 5.194372\nLi Ca Mg\n1 1 6\ndirect\n0.182400 0.841200 0.250000 Li\n0.147372 0.323686 0.250000 Ca\n0.650698 0.324785 0.250000 Mg\n0.650698 0.825914 0.250000 Mg\n0.345213 0.167908 0.750000 Mg\n0.345213 0.677307 0.750000 Mg\n0.818230 0.159116 0.750000 Mg\n0.860179 0.680091 0.750000 Mg\n",
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{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:36:07.610273Z",
"updated_at": "2022-09-04T14:36:07.610301Z",
"structure_string": "Zn2 Cu1 As1\n1.0\n0.000000 3.172368 3.172368\n3.172368 -0.000000 3.172368\n3.172368 3.172368 0.000000\nZn Cu As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n",
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{
"id": "jvasp-91965",
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"updated_at": "2022-09-04T14:35:49.726676Z",
"structure_string": "Ca1 Pb1 F6\n1.0\n5.326751 0.000000 3.075401\n1.775584 5.022109 3.075401\n0.000000 0.000000 6.150802\nCa Pb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.240833 0.759167 0.759167 F\n0.240833 0.759167 0.240833 F\n0.759167 0.240833 0.240833 F\n0.759166 0.759167 0.240833 F\n0.240833 0.240833 0.759167 F\n0.759167 0.240833 0.759167 F\n",
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{
"id": "jvasp-22726",
"created_at": "2022-09-04T14:36:03.043389Z",
"updated_at": "2022-09-04T14:36:03.043413Z",
"structure_string": "Na2 Tl1 Sb1\n1.0\n0.000000 3.781886 3.781886\n3.781886 0.000000 3.781886\n3.781886 3.781886 0.000000\nNa Tl Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500002 0.500002 0.500002 Na\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:02.685939Z",
"updated_at": "2022-09-04T14:36:02.685959Z",
"structure_string": "Ca1 Se1\n1.0\n3.625027 -0.000000 2.092911\n1.208343 3.417709 2.092911\n0.000000 0.000000 4.185821\nCa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n",
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{
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"updated_at": "2022-09-04T14:35:44.933430Z",
"structure_string": "K4 Sr1 Be1\n1.0\n0.000000 5.488627 5.488627\n5.488627 -0.000000 5.488627\n5.488627 5.488627 0.000000\nK Sr Be\n4 1 1\ndirect\n0.122149 0.625951 0.625951 K\n0.625951 0.625951 0.625951 K\n0.625951 0.122149 0.625951 K\n0.625951 0.625951 0.122149 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:36:35.146571Z",
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"structure_string": "Ce2 Cd2 In2\n1.0\n4.970906 0.000000 -0.000000\n-2.485453 4.304931 0.000000\n0.000000 0.000000 7.386121\nCe Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.260329 Ce\n0.000000 0.000000 0.739671 Ce\n0.666668 0.333333 0.480344 Cd\n0.333334 0.666667 0.519656 Cd\n0.333334 0.666667 0.953807 In\n0.666668 0.333333 0.046193 In\n",
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