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{
"id": "jvasp-94363",
"created_at": "2022-09-04T14:36:10.168375Z",
"updated_at": "2022-09-04T14:36:10.168412Z",
"structure_string": "Sr2 Mg4\n1.0\n3.809970 0.000000 -0.000000\n-1.904985 3.299531 0.000000\n-0.000000 0.000000 16.047557\nSr Mg\n2 4\ndirect\n0.333332 0.666667 0.611000 Sr\n0.666667 0.333333 0.389000 Sr\n0.333332 0.666667 0.929956 Mg\n0.666667 0.333333 0.787848 Mg\n0.333332 0.666667 0.212152 Mg\n0.666667 0.333333 0.070044 Mg\n",
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{
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"structure_string": "Li2 V2 F12\n1.0\n0.000000 5.041449 0.010466\n5.283481 0.000000 0.000000\n0.000000 -4.999534 -7.345618\nLi V F\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 V\n0.000001 0.500000 0.500000 V\n0.128131 0.022160 0.234817 F\n0.768341 0.286425 0.947826 F\n0.343548 0.314862 0.552662 F\n0.656453 0.814862 0.947338 F\n0.231660 0.786425 0.552173 F\n0.871869 0.522160 0.265182 F\n0.128131 0.477840 0.734817 F\n0.768340 0.213575 0.447826 F\n0.343547 0.185138 0.052662 F\n0.656453 0.685138 0.447338 F\n0.231660 0.713575 0.052173 F\n0.871870 0.977840 0.765182 F\n",
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{
"id": "jvasp-74897",
"created_at": "2022-09-04T14:35:55.887643Z",
"updated_at": "2022-09-04T14:35:55.887673Z",
"structure_string": "Sr1 Be1 Cu2\n1.0\n-2.355128 2.355128 3.336554\n2.355128 -2.355128 3.336554\n2.355128 2.355128 -3.336554\nSr Be Cu\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"volume": 74.02649397676649,
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{
"id": "jvasp-33857",
"created_at": "2022-09-04T14:38:07.701437Z",
"updated_at": "2022-09-04T14:38:07.701472Z",
"structure_string": "Tm2 Mg6\n1.0\n6.598648 0.000000 0.000000\n-3.299325 5.714598 -0.000000\n0.000000 -0.000000 5.155757\nTm Mg\n2 6\ndirect\n0.666668 0.333332 0.250000 Tm\n0.333334 0.666667 0.750001 Tm\n0.164604 0.329206 0.250000 Mg\n0.164604 0.835398 0.250000 Mg\n0.670796 0.835398 0.250000 Mg\n0.329206 0.164603 0.750001 Mg\n0.835396 0.164603 0.750001 Mg\n0.835399 0.670796 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"density": 4.131337541078054,
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"formula_full": "Tm2 Mg6",
"formula_reduced": "TmMg3",
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"spacegroup": 194
},
{
"id": "jvasp-92254",
"created_at": "2022-09-04T14:36:11.414632Z",
"updated_at": "2022-09-04T14:36:11.414658Z",
"structure_string": "Li1 V1 F6\n1.0\n5.067894 -0.267499 -1.399697\n2.200166 4.183188 -1.461538\n-1.083594 -0.641242 4.771042\nLi V F\n1 1 6\ndirect\n0.520402 0.520401 0.526093 Li\n0.020408 0.020390 0.026090 V\n0.253879 0.255259 0.381970 F\n0.255469 0.664600 0.140347 F\n0.256987 0.908896 0.791470 F\n0.783839 0.131932 0.260736 F\n0.785336 0.376152 0.911800 F\n0.786935 0.785505 0.670233 F\n",
"nsites": 8,
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"elements": [
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"density": 3.0229820253578845,
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"volume": 94.41064962614095,
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"formula_full": "Li1 V1 F6",
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"spacegroup": 148
},
{
"id": "jvasp-1636",
"created_at": "2022-09-04T14:36:50.747756Z",
"updated_at": "2022-09-04T14:36:50.747783Z",
"structure_string": "Li1 Zn1 As1\n1.0\n3.651322 0.000000 2.108091\n1.217107 3.442500 2.108091\n0.000000 0.000000 4.216184\nLi Zn As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.749999 Zn\n0.000000 0.000000 0.000000 As\n",
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},
{
"id": "jvasp-3006",
"created_at": "2022-09-04T14:36:43.231882Z",
"updated_at": "2022-09-04T14:36:43.231906Z",
"structure_string": "Ca1 Cd2 P2\n1.0\n2.153571 -3.730094 0.000000\n2.153571 3.730094 0.000000\n0.000000 0.000000 7.037127\nCa Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.361314 Cd\n0.666667 0.333333 0.638687 Cd\n0.666667 0.333333 0.236100 P\n0.333333 0.666667 0.763900 P\n",
"nsites": 5,
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"formula_full": "Ca1 Cd2 P2",
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"spacegroup": 164
},
{
"id": "jvasp-105853",
"created_at": "2022-09-04T14:35:49.189864Z",
"updated_at": "2022-09-04T14:35:49.189883Z",
"structure_string": "Sr1 Yb1\n1.0\n4.017396 0.000000 -0.000000\n-2.008699 3.479166 -0.000000\n-0.000000 0.000000 6.541321\nYb Sr\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666668 0.500000 Sr\n",
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"formula_full": "Sr1 Yb1",
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"spacegroup": 187
},
{
"id": "jvasp-25099",
"created_at": "2022-09-04T14:37:46.770079Z",
"updated_at": "2022-09-04T14:37:46.770101Z",
"structure_string": "Ce1\n1.0\n3.062694 0.000000 -1.082826\n-1.531347 2.652371 -1.082826\n-0.000000 -0.000000 3.248478\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
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"volume": 26.38868861335284,
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"formula_full": "Ce1",
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},
{
"id": "jvasp-15847",
"created_at": "2022-09-04T14:38:28.820908Z",
"updated_at": "2022-09-04T14:38:28.820934Z",
"structure_string": "Ce1\n1.0\n3.062694 0.000000 -1.082826\n-1.531347 2.652371 -1.082826\n-0.000000 -0.000000 3.248478\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
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},
{
"id": "jvasp-22670",
"created_at": "2022-09-04T14:35:42.550329Z",
"updated_at": "2022-09-04T14:35:42.550356Z",
"structure_string": "Rb2 Mn1 Cl6\n1.0\n5.955374 0.000000 3.438337\n1.985124 5.614781 3.438337\n0.000000 0.000000 6.876674\nRb Mn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Mn\n0.234045 0.765955 0.765955 Cl\n0.765954 0.234045 0.234046 Cl\n0.765954 0.234045 0.765955 Cl\n0.765954 0.765955 0.234046 Cl\n0.234045 0.234045 0.765955 Cl\n0.234045 0.765955 0.234046 Cl\n",
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"volume": 229.94305579796216,
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"formula_full": "Rb2 Mn1 Cl6",
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{
"id": "jvasp-47308",
"created_at": "2022-09-04T14:38:09.932412Z",
"updated_at": "2022-09-04T14:38:09.932437Z",
"structure_string": "Li1 V1 F6\n1.0\n-4.937435 -0.001051 -0.482633\n-0.024059 -5.284445 0.220844\n2.119515 2.490185 3.739134\nLi V F\n1 1 6\ndirect\n0.483511 0.481189 0.962431 Li\n0.983512 0.981189 0.962428 V\n0.748897 0.216887 0.083971 F\n0.628492 0.746481 0.493187 F\n0.098379 0.216342 0.842655 F\n0.868644 0.746044 0.082214 F\n0.338538 0.215882 0.431660 F\n0.218104 0.745470 0.840884 F\n",
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"formula_full": "Li1 V1 F6",
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