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{
"id": "jvasp-118634",
"created_at": "2022-09-04T14:38:49.107678Z",
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"structure_string": "Al1 N1\n1.0\n2.686150 -0.957798 0.225137\n-1.017479 -2.651300 0.347007\n-0.766939 1.512211 -2.301062\nAl N\n1 1\ndirect\n0.131144 -0.051909 0.171257 Al\n0.631174 0.448079 0.171274 N\n",
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{
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"structure_string": "Al1 N1\n1.0\n2.491980 0.000000 1.438746\n0.830660 2.349462 1.438746\n-0.000000 0.000000 2.877491\nAl N\n1 1\ndirect\n0.500000 0.500000 0.500002 Al\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Al1 Mo4 S8\n1.0\n6.010295 0.015965 3.443832\n2.003311 5.666626 3.443832\n0.022514 0.015965 6.926986\nAl Mo S\n1 4 8\ndirect\n0.004152 0.004152 0.004152 Al\n0.401789 0.401789 0.811240 Mo\n0.401798 0.401798 0.401798 Mo\n0.811239 0.401790 0.401789 Mo\n0.401789 0.811240 0.401789 Mo\n0.638126 0.638126 0.638126 S\n0.102229 0.638131 0.638131 S\n0.638131 0.102230 0.638131 S\n0.138447 0.601282 0.138447 S\n0.138441 0.138441 0.138441 S\n0.138447 0.138447 0.601282 S\n0.601281 0.138448 0.138447 S\n0.638131 0.638132 0.102229 S\n",
"nsites": 13,
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],
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"density_atomic": 0.055309742276098514,
"volume": 235.0399670117032,
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"formula_full": "Al1 Mo4 S8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 216
},
{
"id": "jvasp-11596",
"created_at": "2022-09-04T14:37:04.869239Z",
"updated_at": "2022-09-04T14:37:04.869269Z",
"structure_string": "Al1 Mo4 S8\n1.0\n6.010288 0.015978 3.443849\n2.003321 5.666615 3.443849\n0.022533 0.015978 6.926988\nAl Mo S\n1 4 8\ndirect\n0.004152 0.004152 0.004152 Al\n0.401791 0.401792 0.811237 Mo\n0.811237 0.401792 0.401792 Mo\n0.401792 0.811236 0.401792 Mo\n0.401796 0.401796 0.401797 Mo\n0.638127 0.638127 0.638127 S\n0.102225 0.638131 0.638132 S\n0.638131 0.102225 0.638132 S\n0.138448 0.601279 0.138448 S\n0.138443 0.138443 0.138443 S\n0.138448 0.138448 0.601280 S\n0.601280 0.138448 0.138448 S\n0.638132 0.638131 0.102225 S\n",
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"volume": 235.0385712379546,
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"formula_full": "Al1 Mo4 S8",
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"spacegroup": 216
},
{
"id": "jvasp-57742",
"created_at": "2022-09-04T14:37:54.414473Z",
"updated_at": "2022-09-04T14:37:54.414495Z",
"structure_string": "Al1 Mo4 S8\n1.0\n5.999054 0.000000 3.463556\n1.999684 5.655962 3.463556\n-0.000000 -0.000000 6.927111\nAl Mo S\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.397638 0.807083 0.397640 Mo\n0.807082 0.397639 0.397640 Mo\n0.397638 0.397639 0.807084 Mo\n0.397638 0.397639 0.397640 Mo\n0.134288 0.597133 0.134289 S\n0.597133 0.134288 0.134289 S\n0.134288 0.134288 0.597134 S\n0.633975 0.633976 0.633977 S\n0.633975 0.633976 0.098072 S\n0.098070 0.633976 0.633977 S\n0.633976 0.098070 0.633977 S\n0.134288 0.134288 0.134289 S\n",
"nsites": 13,
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],
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"density": 4.71415425223774,
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"volume": 235.03979572984184,
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"formula_full": "Al1 Mo4 S8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-16909",
"created_at": "2022-09-04T14:36:49.430957Z",
"updated_at": "2022-09-04T14:36:49.430986Z",
"structure_string": "Al1 Mo1 O3\n1.0\n3.947839 0.000000 -0.000000\n0.000000 3.947839 -0.000000\n-0.000000 -0.000000 3.947851\nAl Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 61.52896634616539,
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"formula_full": "Al1 Mo1 O3",
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},
{
"id": "jvasp-20487",
"created_at": "2022-09-04T14:37:33.322664Z",
"updated_at": "2022-09-04T14:37:33.322690Z",
"structure_string": "Al1 Ir1\n1.0\n3.021741 -0.000000 0.000000\n0.000000 3.021741 -0.000000\n-0.000000 -0.000000 3.021741\nAl Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n",
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"elements": [
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],
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"formula_full": "Al1 Ir1",
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"spacegroup": 221
},
{
"id": "jvasp-20224",
"created_at": "2022-09-04T14:37:37.663669Z",
"updated_at": "2022-09-04T14:37:37.663681Z",
"structure_string": "Al1 Ir1\n1.0\n3.021741 -0.000000 0.000000\n0.000000 3.021741 -0.000000\n-0.000000 -0.000000 3.021741\nAl Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n",
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"volume": 27.591271316070973,
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"formula_full": "Al1 Ir1",
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},
{
"id": "jvasp-112384",
"created_at": "2022-09-04T14:38:40.712731Z",
"updated_at": "2022-09-04T14:38:40.712759Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.338980992156057,
"density_atomic": 0.04091574880765878,
"volume": 391.0474686706712,
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{
"id": "jvasp-103127",
"created_at": "2022-09-04T14:36:37.484342Z",
"updated_at": "2022-09-04T14:36:37.484368Z",
"structure_string": "Al1 In1 Sb2\n1.0\n4.529713 0.000000 0.000000\n0.000000 4.529713 0.000000\n0.000000 0.000000 6.420070\nAl In Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.233044 Sb\n0.500000 0.000000 0.766956 Sb\n",
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},
{
"id": "jvasp-109795",
"created_at": "2022-09-04T14:38:16.058346Z",
"updated_at": "2022-09-04T14:38:16.058372Z",
"structure_string": "Al1 In1 Sb2\n1.0\n4.352081 0.007810 6.551900\n1.983555 3.873780 6.551900\n0.012748 0.007810 7.865612\nAl In Sb\n1 1 2\ndirect\n0.999611 0.999609 0.999608 Al\n0.500729 0.500728 0.500727 In\n0.120415 0.120414 0.120414 Sb\n0.629249 0.629248 0.629247 Sb\n",
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{
"id": "jvasp-106852",
"created_at": "2022-09-04T14:36:54.018959Z",
"updated_at": "2022-09-04T14:36:54.018984Z",
"structure_string": "Al1 In1 Cu2 Se4\n1.0\n5.250501 0.013528 -4.668923\n-1.049472 5.144565 -4.668923\n-0.011018 -0.013528 7.026128\nAl In Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.500001 Al\n0.500000 0.500001 0.000001 In\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.100633 0.103553 0.468681 Se\n0.634872 0.631953 0.531320 Se\n0.368048 0.899367 0.002921 Se\n0.896447 0.365129 0.997081 Se\n",
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"volume": 189.2244495064882,
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"formula_full": "Al1 In1 Cu2 Se4",
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