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{
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{
"id": "jvasp-118169",
"created_at": "2022-09-04T14:38:49.350028Z",
"updated_at": "2022-09-04T14:38:49.350049Z",
"structure_string": "Al2 As1\n1.0\n4.810166 0.000000 1.156455\n0.000000 2.720014 0.000000\n1.445122 0.000000 4.733378\nAl As\n2 1\ndirect\n0.132843 0.000000 -0.200035 Al\n-0.199514 0.000000 0.466698 Al\n0.466671 0.000000 0.133336 As\n",
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{
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"structure_string": "Al2 As1\n1.0\n5.025771 -0.048827 0.340629\n3.525529 -3.579607 0.312439\n0.252826 -0.077600 -3.740801\nAl As\n2 1\ndirect\n0.447384 0.376780 0.335778 Al\n0.171140 0.101281 0.335981 Al\n0.984534 -0.085602 -0.164053 As\n",
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{
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"created_at": "2022-09-04T14:38:34.952799Z",
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"structure_string": "Al12 W1\n1.0\n6.228248 0.000000 -2.202018\n-3.114123 5.393820 -2.202018\n0.000000 0.000000 6.606053\nAl W\n12 1\ndirect\n0.495505 0.307446 0.188058 Al\n0.307447 0.811942 0.119388 Al\n0.188059 0.880612 0.692553 Al\n0.692554 0.811942 0.504495 Al\n0.811942 0.119388 0.307446 Al\n0.692554 0.188058 0.880611 Al\n0.811942 0.504495 0.692553 Al\n0.188059 0.495505 0.307446 Al\n0.307447 0.188058 0.495504 Al\n0.119388 0.307446 0.811941 Al\n0.880613 0.692554 0.188058 Al\n0.504496 0.692554 0.811941 Al\n0.000000 0.000000 0.000000 W\n",
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{
"id": "jvasp-22775",
"created_at": "2022-09-04T14:37:52.709495Z",
"updated_at": "2022-09-04T14:37:52.709522Z",
"structure_string": "Al12 Tc1\n1.0\n6.182153 0.000000 -2.185722\n-3.091077 5.353901 -2.185722\n-0.000000 -0.000000 6.557164\nAl Tc\n12 1\ndirect\n0.495924 0.307254 0.188670 Al\n0.307254 0.811330 0.118584 Al\n0.188669 0.881416 0.692745 Al\n0.692745 0.811330 0.504076 Al\n0.811330 0.118584 0.307254 Al\n0.692745 0.188670 0.881416 Al\n0.811330 0.504076 0.692745 Al\n0.188669 0.495924 0.307254 Al\n0.307254 0.188670 0.495924 Al\n0.118584 0.307254 0.811330 Al\n0.881415 0.692745 0.188670 Al\n0.504075 0.692745 0.811330 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 13,
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"elements": [
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"density": 3.2270624230705027,
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"volume": 217.03317871605023,
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"formula_full": "Al12 Tc1",
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{
"id": "jvasp-20179",
"created_at": "2022-09-04T14:37:56.891185Z",
"updated_at": "2022-09-04T14:37:56.891210Z",
"structure_string": "Al12 Re1\n1.0\n6.184212 -0.000000 -2.186450\n-3.092107 5.355685 -2.186450\n-0.000000 -0.000000 6.559348\nAl Re\n12 1\ndirect\n0.496713 0.307465 0.189247 Al\n0.307464 0.810752 0.118218 Al\n0.189246 0.881781 0.692534 Al\n0.692534 0.810752 0.503286 Al\n0.810753 0.118218 0.307465 Al\n0.692534 0.189247 0.881782 Al\n0.810752 0.503286 0.692535 Al\n0.189246 0.496713 0.307465 Al\n0.307465 0.189247 0.496713 Al\n0.118218 0.307465 0.810753 Al\n0.881781 0.692534 0.189246 Al\n0.503286 0.692534 0.810753 Al\n0.000000 0.000000 0.000000 Re\n",
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"elements": [
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"chemical_system": "Al-Re",
"density": 3.8980448086418797,
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"formula_full": "Al12 Re1",
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{
"id": "jvasp-20315",
"created_at": "2022-09-04T14:37:40.605341Z",
"updated_at": "2022-09-04T14:37:40.605358Z",
"structure_string": "Al12 Mo1\n1.0\n6.225536 -0.000000 -2.201059\n-3.112768 5.391472 -2.201059\n-0.000000 0.000000 6.603178\nAl Mo\n12 1\ndirect\n0.495087 0.307610 0.187476 Al\n0.307610 0.812523 0.120133 Al\n0.187476 0.879867 0.692390 Al\n0.692390 0.812523 0.504913 Al\n0.812524 0.120133 0.307611 Al\n0.692390 0.187476 0.879867 Al\n0.812524 0.504913 0.692390 Al\n0.187476 0.495086 0.307610 Al\n0.307611 0.187476 0.495087 Al\n0.120133 0.307610 0.812524 Al\n0.879867 0.692389 0.187476 Al\n0.504913 0.692389 0.812524 Al\n0.000000 0.000000 0.000000 Mo\n",
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],
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"density": 3.144633697674126,
"density_atomic": 0.05865516283618759,
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"formula_full": "Al12 Mo1",
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{
"id": "jvasp-112610",
"created_at": "2022-09-04T14:38:42.151566Z",
"updated_at": "2022-09-04T14:38:42.151600Z",
"structure_string": "Al12 Fe7\n1.0\n4.615034 -0.020751 1.267996\n0.724639 6.303184 0.244025\n0.009831 0.000018 8.726940\nAl Fe\n12 7\ndirect\n0.412333 0.460346 0.302251 Al\n0.506926 0.992454 0.831599 Al\n0.493073 0.007546 0.168403 Al\n0.009826 0.294763 0.174888 Al\n0.687967 0.336207 0.968347 Al\n0.312032 0.663793 0.031655 Al\n0.990173 0.705237 0.825113 Al\n0.601968 0.186538 0.514419 Al\n0.961214 0.869707 0.292533 Al\n0.038785 0.130293 0.707468 Al\n0.587666 0.539654 0.697750 Al\n0.398032 0.813461 0.485582 Al\n0.163830 0.479044 0.584665 Fe\n0.225134 0.350799 0.883703 Fe\n0.774865 0.649201 0.116298 Fe\n0.144711 0.153818 0.414875 Fe\n0.855288 0.846182 0.585126 Fe\n0.000000 0.000000 0.000000 Fe\n0.836169 0.520956 0.415336 Fe\n",
"nsites": 19,
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"elements": [
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"density": 4.67392835674482,
"density_atomic": 0.07482844920020483,
"volume": 253.91412227674485,
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"formula_full": "Al12 Fe7",
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{
"id": "jvasp-53587",
"created_at": "2022-09-04T14:37:06.308202Z",
"updated_at": "2022-09-04T14:37:06.308234Z",
"structure_string": "Al11 N1 O15\n1.0\n5.627659 -0.000613 0.006107\n0.023455 5.694890 0.000406\n0.164594 0.021030 7.939046\nAl N O\n11 1 15\ndirect\n0.015094 0.996395 0.993124 Al\n0.982767 0.257041 0.637612 Al\n0.255653 0.006697 0.374544 Al\n0.516961 0.745222 0.111467 Al\n0.250382 0.498924 0.875637 Al\n0.983703 0.744371 0.637803 Al\n0.743121 0.006796 0.375394 Al\n0.483755 0.001865 0.756291 Al\n0.502593 0.492574 0.493755 Al\n0.998415 0.502489 0.254443 Al\n0.518530 0.258957 0.121631 Al\n0.498417 0.230184 0.364058 N\n0.018617 0.743653 0.865373 O\n0.745655 0.995101 0.127138 O\n0.224973 0.997469 0.615405 O\n0.499519 0.764858 0.367054 O\n0.480445 0.745548 0.882244 O\n0.770720 0.502735 0.609125 O\n0.758629 0.999478 0.622579 O\n0.265314 0.503469 0.119337 O\n0.480918 0.252705 0.888121 O\n0.020172 0.252097 0.865851 O\n-0.000152 0.231425 0.382802 O\n0.266942 0.990848 0.134240 O\n0.000590 0.772915 0.383621 O\n0.736977 0.505746 0.136367 O\n0.231292 0.500444 0.630005 O\n",
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"elements": [
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],
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{
"id": "jvasp-14615",
"created_at": "2022-09-04T14:35:50.156379Z",
"updated_at": "2022-09-04T14:35:50.156432Z",
"structure_string": "Al1\n1.0\n2.490770 -0.000000 1.438047\n0.830257 2.348321 1.438047\n-0.000000 -0.000000 2.876094\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
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},
{
"id": "jvasp-816",
"created_at": "2022-09-04T14:37:51.809139Z",
"updated_at": "2022-09-04T14:37:51.809156Z",
"structure_string": "Al1\n1.0\n2.490770 -0.000000 1.438047\n0.830257 2.348321 1.438047\n-0.000000 -0.000000 2.876094\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
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{
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"created_at": "2022-09-04T14:37:40.476545Z",
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{
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"created_at": "2022-09-04T14:36:31.933399Z",
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"structure_string": "Al1\n1.0\n20.000000 0.000000 0.000000\n0.000000 20.000000 0.000000\n0.000000 0.000000 20.000000\nAl\n1\ndirect\n0.500000 0.500000 0.500000 Al\n",
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