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{
"id": "jvasp-3918",
"created_at": "2022-09-04T14:35:44.837121Z",
"updated_at": "2022-09-04T14:35:44.837148Z",
"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
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{
"id": "jvasp-71020",
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"structure_string": "Mg2 Be1 In1\n1.0\n3.057104 0.000000 0.000000\n0.000000 3.057104 0.000000\n-0.000000 0.000000 8.346197\nMg Be In\n2 1 1\ndirect\n0.000000 0.000000 0.003765 Mg\n0.499999 0.499999 0.293244 Mg\n0.000000 0.000000 0.494136 Be\n0.499999 0.499999 0.708855 In\n",
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{
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"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"formula_full": "La1 Zn5",
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"spacegroup": 191
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\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 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ag-Br-Rb-Y",
"density": 4.066338518623428,
"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
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"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1345",
"created_at": "2022-09-04T14:35:47.816138Z",
"updated_at": "2022-09-04T14:35:47.816162Z",
"structure_string": "Yb1 Te1\n1.0\n3.860649 0.000000 2.228946\n1.286883 3.639854 2.228946\n0.000000 0.000000 4.457893\nYb Te\n1 1\ndirect\n0.500000 0.499999 0.500001 Yb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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"density": 7.9693323295574094,
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"volume": 62.64319824272521,
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"formula_full": "Yb1 Te1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-3762",
"created_at": "2022-09-04T14:35:42.651640Z",
"updated_at": "2022-09-04T14:35:42.651664Z",
"structure_string": "K2 Pd1 Br4\n1.0\n7.373936 0.000000 0.000000\n0.000000 7.373936 0.000000\n0.000000 0.000000 4.230938\nK Pd Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.762620 0.762620 0.000000 Br\n0.237381 0.237381 0.000000 Br\n0.237381 0.762620 0.000000 Br\n0.762620 0.237381 0.000000 Br\n",
"nsites": 7,
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"elements": [
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"volume": 230.05696660510597,
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"formula_full": "K2 Pd1 Br4",
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"spacegroup": 123
},
{
"id": "jvasp-95059",
"created_at": "2022-09-04T14:35:43.372827Z",
"updated_at": "2022-09-04T14:35:43.372853Z",
"structure_string": "Yb1 Cu4 Pd1\n1.0\n-3.499473 -3.499473 -0.000000\n-3.499473 -0.000000 -3.499473\n-0.000000 -3.499473 -3.499473\nYb Cu Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.874015 0.375328 0.375328 Cu\n0.375328 0.874015 0.375328 Cu\n0.375328 0.375328 0.874015 Cu\n0.375328 0.375328 0.375328 Cu\n0.749999 0.749999 0.749999 Pd\n",
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"elements": [
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"density_atomic": 0.07000246183209724,
"volume": 85.71127133201628,
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"formula_full": "Yb1 Cu4 Pd1",
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"spacegroup": 216
},
{
"id": "jvasp-65769",
"created_at": "2022-09-04T14:35:42.255119Z",
"updated_at": "2022-09-04T14:35:42.255150Z",
"structure_string": "Ba2 Sb1 Br1\n1.0\n0.000000 4.176257 4.176257\n4.176257 -0.000000 4.176257\n4.176257 4.176257 -0.000000\nBa Sb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"formula_full": "Ba2 Sb1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105626",
"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
"structure_string": "Na3 Sb1 I6\n1.0\n7.384719 -0.000000 4.263569\n2.461573 6.962380 4.263569\n-0.000000 0.000000 8.527138\nNa Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751589 0.248411 0.248411 I\n0.248411 0.248411 0.751589 I\n0.248411 0.751589 0.751590 I\n0.248411 0.751589 0.248411 I\n0.751589 0.248411 0.751589 I\n0.751589 0.751589 0.248411 I\n",
"nsites": 10,
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"density": 3.606303516716892,
"density_atomic": 0.022808935187682507,
"volume": 438.4246751422352,
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"formula_full": "Na3 Sb1 I6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-66371",
"created_at": "2022-09-04T14:35:44.302179Z",
"updated_at": "2022-09-04T14:35:44.302207Z",
"structure_string": "Ba1 Mg1 Cl1\n1.0\n0.000000 3.936927 3.936927\n3.936927 0.000000 3.936927\n3.936927 3.936927 0.000000\nBa Mg Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cl\n",
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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",
"nsites": 8,
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"density_atomic": 0.040565290257045666,
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{
"id": "jvasp-106047",
"created_at": "2022-09-04T14:35:48.929887Z",
"updated_at": "2022-09-04T14:35:48.929914Z",
"structure_string": "Li2 I1 Br1\n1.0\n4.317464 0.000000 0.000000\n-2.158732 3.739032 -0.000000\n0.000000 -0.000000 6.977937\nLi I Br\n2 1 1\ndirect\n0.666666 0.333333 0.478370 Li\n0.000000 0.000000 0.024624 Li\n0.000000 0.000000 0.626672 I\n0.666666 0.333333 0.120336 Br\n",
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