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{
"id": "jvasp-14261",
"created_at": "2022-09-04T14:36:00.806303Z",
"updated_at": "2022-09-04T14:36:00.806332Z",
"structure_string": "Yb1 Mn2 As2\n1.0\n1.982139 -3.433166 0.000000\n1.982139 3.433166 -0.000000\n-0.000000 -0.000000 6.891302\nYb Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.383710 Mn\n0.333333 0.666667 0.616290 Mn\n0.666667 0.333333 0.733879 As\n0.333333 0.666667 0.266121 As\n",
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{
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"structure_string": "La1 Co2 As2\n1.0\n3.783984 0.000000 -1.382609\n-0.505184 3.750109 -1.382609\n0.095332 0.109037 6.130297\nLa Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750001 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.359975 0.359976 0.719951 As\n0.640025 0.640025 0.280049 As\n",
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{
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"updated_at": "2022-09-04T14:35:49.374131Z",
"structure_string": "Mg1 Br2 O2\n1.0\n0.316804 0.000000 -4.090891\n-3.462008 -3.299404 0.849382\n-3.462008 3.299404 0.849382\nMg Br O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.641156 0.277261 0.277261 Br\n0.358845 0.722740 0.722740 Br\n0.000001 0.704417 0.295583 O\n0.000001 0.295583 0.704417 O\n",
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"formula_full": "Mg1 Br2 O2",
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"spacegroup": 12
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{
"id": "jvasp-92456",
"created_at": "2022-09-04T14:35:48.861477Z",
"updated_at": "2022-09-04T14:35:48.861516Z",
"structure_string": "La2 Se1 O2\n1.0\n4.089301 0.000000 0.000000\n-2.044650 3.541438 -0.000000\n0.000000 -0.000000 7.176600\nLa Se O\n2 1 2\ndirect\n0.666667 0.333333 0.712470 La\n0.333333 0.666667 0.287530 La\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.375225 O\n0.333333 0.666667 0.624775 O\n",
"nsites": 5,
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"elements": [
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"density": 6.211465667760218,
"density_atomic": 0.048108580402999285,
"volume": 103.93156393549039,
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"formula_full": "La2 Se1 O2",
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"spacegroup": 164
},
{
"id": "jvasp-92295",
"created_at": "2022-09-04T14:35:49.017683Z",
"updated_at": "2022-09-04T14:35:49.017709Z",
"structure_string": "Y1 Si2 Pd2\n1.0\n4.169641 -0.000000 -0.000000\n-0.000000 4.169641 -0.000000\n-2.084820 -2.084820 4.982960\nY Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617121 0.617121 0.234243 Si\n0.382879 0.382879 0.765757 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"volume": 86.63327450499129,
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"spacegroup": 139
},
{
"id": "jvasp-22560",
"created_at": "2022-09-04T14:36:00.805346Z",
"updated_at": "2022-09-04T14:36:00.805371Z",
"structure_string": "K2 Pd1 O2\n1.0\n3.031452 -0.000000 0.902668\n1.029209 4.938351 2.085213\n0.024788 0.011926 5.458382\nK Pd O\n2 1 2\ndirect\n0.176386 0.323615 0.323614 K\n0.823614 0.676386 0.676385 K\n0.000000 0.000000 0.000000 Pd\n0.500000 0.221495 0.778505 O\n0.500000 0.778506 0.221494 O\n",
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{
"id": "jvasp-15447",
"created_at": "2022-09-04T14:35:48.689715Z",
"updated_at": "2022-09-04T14:35:48.689741Z",
"structure_string": "U1 Si2 Pd2\n1.0\n3.819597 0.000000 -1.442386\n-0.544685 3.780561 -1.442386\n0.049259 0.056865 5.908996\nU Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.612479 0.612478 0.224956 Si\n0.387523 0.387523 0.775044 Si\n0.750001 0.250001 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"volume": 85.95377370674633,
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"formula_full": "U1 Si2 Pd2",
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{
"id": "jvasp-85899",
"created_at": "2022-09-04T14:35:48.673242Z",
"updated_at": "2022-09-04T14:35:48.673270Z",
"structure_string": "Nd1 Cu2 Ge2\n1.0\n3.916471 -0.000000 -1.415058\n-0.511274 3.882955 -1.415058\n-0.073535 -0.083853 5.923833\nNd Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.622709 0.622710 0.245415 Ge\n0.377293 0.377293 0.754585 Ge\n",
"nsites": 5,
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},
{
"id": "jvasp-68533",
"created_at": "2022-09-04T14:35:47.619577Z",
"updated_at": "2022-09-04T14:35:47.619597Z",
"structure_string": "Sr2 Be2 Cr1\n1.0\n-2.958940 2.958940 3.657755\n2.958940 -2.958940 3.657755\n2.958940 2.958940 -3.657755\nSr Be Cr\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.639660 0.639660 0.000000 Be\n0.360339 0.360339 0.000000 Be\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 5,
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"density": 3.179286905939289,
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"formula_full": "Sr2 Be2 Cr1",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6892604439999996,
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},
{
"id": "jvasp-86987",
"created_at": "2022-09-04T14:35:48.677090Z",
"updated_at": "2022-09-04T14:35:48.677111Z",
"structure_string": "Sr2 B4 Rh4\n1.0\n5.411870 0.015867 -1.482961\n-2.844788 4.603887 -1.482961\n-0.013872 -0.024964 6.140899\nSr B Rh\n2 4 4\ndirect\n0.875000 0.125001 0.250000 Sr\n0.125001 0.875001 0.750001 Sr\n0.547473 0.452528 0.250000 B\n0.797474 0.202528 0.750001 B\n0.202527 0.797474 0.250000 B\n0.452528 0.547474 0.750001 B\n0.505956 0.755956 0.511912 Rh\n0.755955 0.505956 0.011912 Rh\n0.494045 0.244046 0.488089 Rh\n0.244046 0.494046 0.988090 Rh\n",
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"density": 6.843962466020082,
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"volume": 152.8815557206753,
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"formula_full": "Sr2 B4 Rh4",
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{
"id": "jvasp-15741",
"created_at": "2022-09-04T14:35:48.524948Z",
"updated_at": "2022-09-04T14:35:48.524977Z",
"structure_string": "Ce1 Al2 Ge2\n1.0\n2.147980 -3.720411 -0.000000\n2.147980 3.720411 0.000000\n0.000000 -0.000000 6.843254\nCe Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.356461 Al\n0.333333 0.666667 0.643538 Al\n0.666667 0.333333 0.735662 Ge\n0.333333 0.666667 0.264338 Ge\n",
"nsites": 5,
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{
"id": "jvasp-92465",
"created_at": "2022-09-04T14:36:00.871316Z",
"updated_at": "2022-09-04T14:36:00.871332Z",
"structure_string": "Yb2 Te1 O2\n1.0\n3.717047 0.000000 0.000000\n-1.858524 3.217692 0.000245\n0.000000 -0.000469 8.349769\nYb Te O\n2 1 2\ndirect\n0.333239 0.666633 0.345213 Yb\n0.666607 0.333366 0.654787 Yb\n0.000107 0.000000 0.000000 Te\n0.333221 0.666592 0.614966 O\n0.666630 0.333408 0.385033 O\n",
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