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{
"id": "jvasp-117329",
"created_at": "2022-09-04T14:38:26.289609Z",
"updated_at": "2022-09-04T14:38:26.289637Z",
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{
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"updated_at": "2022-09-04T14:37:30.567986Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.255972 0.000150 -0.000156\n-1.627856 2.819903 0.000161\n-0.001250 0.000342 32.020905\nMo W Se S\n3 1 4 4\ndirect\n0.333212 0.666331 0.078724 Mo\n0.666806 0.334032 0.278932 Mo\n0.666827 0.333400 0.673184 Mo\n0.333163 0.666333 0.472079 W\n0.333390 0.666554 0.726185 Se\n0.666582 0.333012 0.025728 Se\n0.666686 0.333146 0.131772 Se\n0.333506 0.666881 0.620125 Se\n0.333345 0.667141 0.327207 S\n0.666508 0.332682 0.423564 S\n0.666566 0.333093 0.520618 S\n0.333390 0.667386 0.230630 S\n",
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{
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"structure_string": "K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n",
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"volume": 196.0124421322865,
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"formula_full": "K1 Mg6 Nb1",
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},
{
"id": "jvasp-97686",
"created_at": "2022-09-04T14:36:05.991139Z",
"updated_at": "2022-09-04T14:36:05.991153Z",
"structure_string": "Yb4 Cr4 Sb12\n1.0\n6.066378 0.000000 0.000000\n0.000000 6.186100 0.000000\n0.000000 0.000000 13.058506\nYb Cr Sb\n4 4 12\ndirect\n0.750000 0.995715 0.691039 Yb\n0.750000 0.495715 0.308962 Yb\n0.250000 0.504285 0.691039 Yb\n0.250000 0.004285 0.308962 Yb\n0.500000 0.750000 0.095881 Cr\n0.000000 0.750000 0.095881 Cr\n0.500000 0.250000 0.904119 Cr\n0.000000 0.250000 0.904119 Cr\n0.500000 0.250000 0.502878 Sb\n0.000000 0.250000 0.502878 Sb\n0.500000 0.750000 0.497122 Sb\n0.750000 0.892949 0.935348 Sb\n0.750000 0.392949 0.064652 Sb\n0.250000 0.607051 0.935348 Sb\n0.750000 0.499979 0.781957 Sb\n0.250000 0.500021 0.218043 Sb\n0.750000 -0.000021 0.218043 Sb\n0.250000 0.000021 0.781957 Sb\n0.000000 0.750000 0.497122 Sb\n0.250000 0.107051 0.064652 Sb\n",
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{
"id": "jvasp-117712",
"created_at": "2022-09-04T14:38:26.600188Z",
"updated_at": "2022-09-04T14:38:26.600209Z",
"structure_string": "Li1 Bi1 F1\n1.0\n3.230874 0.000000 0.000000\n0.000000 3.230874 -0.000000\n0.000000 -0.000000 7.042278\nLi Bi F\n1 1 1\ndirect\n0.000000 0.000000 -0.012152 Li\n0.000000 0.000000 0.416428 Bi\n0.000000 0.000000 0.753441 F\n",
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"volume": 73.51114850890627,
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{
"id": "jvasp-29594",
"created_at": "2022-09-04T14:37:05.549167Z",
"updated_at": "2022-09-04T14:37:05.549191Z",
"structure_string": "Cu4 Hg4 Se4 Cl4\n1.0\n4.230120 0.000000 0.000000\n0.000000 7.214025 0.000000\n0.000000 0.000000 12.847759\nCu Hg Se Cl\n4 4 4 4\ndirect\n0.500000 0.804924 0.473292 Cu\n0.500000 0.304925 0.026708 Cu\n0.500000 0.195075 0.526708 Cu\n0.500000 0.695075 0.973292 Cu\n0.000000 0.589312 0.250649 Hg\n0.000000 0.089312 0.249351 Hg\n0.000000 0.410687 0.749351 Hg\n0.000000 0.910687 0.750649 Hg\n0.000000 0.840458 0.391420 Se\n0.000000 0.659541 0.891420 Se\n0.000000 0.159541 0.608580 Se\n0.000000 0.340458 0.108580 Se\n0.500000 0.835791 0.128804 Cl\n0.500000 0.335791 0.371196 Cl\n0.500000 0.164209 0.871196 Cl\n0.500000 0.664208 0.628804 Cl\n",
"nsites": 16,
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"elements": [
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"Se",
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"density": 6.413180744957963,
"density_atomic": 0.04080959366296584,
"volume": 392.0646731290487,
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"formula_full": "Cu4 Hg4 Se4 Cl4",
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"formula_anonymous": "ABCD",
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{
"id": "jvasp-95772",
"created_at": "2022-09-04T14:36:10.584384Z",
"updated_at": "2022-09-04T14:36:10.584408Z",
"structure_string": "Eu1 Hg2\n1.0\n4.974992 0.000000 -0.000000\n-2.487496 4.308469 -0.000000\n-0.000000 0.000000 3.429633\nEu Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333332 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
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},
{
"id": "jvasp-99409",
"created_at": "2022-09-04T14:36:36.280458Z",
"updated_at": "2022-09-04T14:36:36.280469Z",
"structure_string": "Ba4 Ca2 N4\n1.0\n3.649375 -0.000000 0.000000\n0.000000 5.945102 0.000000\n-0.000000 -0.000000 11.294711\nBa Ca N\n4 2 4\ndirect\n0.228611 0.250000 0.931976 Ba\n0.228611 0.250000 0.568024 Ba\n0.771390 0.750000 0.068024 Ba\n0.771390 0.750000 0.431976 Ba\n0.224690 0.250000 0.250000 Ca\n0.775312 0.750000 0.750000 Ca\n0.710407 0.250000 0.403112 N\n0.710407 0.250000 0.096888 N\n0.289595 0.750000 0.596888 N\n0.289595 0.750000 0.903112 N\n",
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"spacegroup": 59
},
{
"id": "jvasp-88840",
"created_at": "2022-09-04T14:37:41.475246Z",
"updated_at": "2022-09-04T14:37:41.475272Z",
"structure_string": "Cu4 Sb4 Se8\n1.0\n4.034973 0.000000 0.000000\n0.000000 6.442853 0.000000\n0.000000 0.000000 15.081942\nCu Sb Se\n4 4 8\ndirect\n0.749999 0.749287 0.171796 Cu\n0.250000 0.250713 0.828204 Cu\n0.749999 0.249287 0.328204 Cu\n0.250000 0.750712 0.671796 Cu\n0.749999 0.771616 0.941377 Sb\n0.250000 0.728383 0.441377 Sb\n0.749999 0.271616 0.558623 Sb\n0.250000 0.228384 0.058623 Sb\n0.250000 0.375659 0.675582 Se\n0.749999 0.372056 0.903257 Se\n0.749999 0.624341 0.324418 Se\n0.250000 0.875658 0.824418 Se\n0.749999 0.872055 0.596743 Se\n0.250000 0.627944 0.096743 Se\n0.250000 0.127944 0.403257 Se\n0.749999 0.124341 0.175582 Se\n",
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{
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"created_at": "2022-09-04T14:35:50.585946Z",
"updated_at": "2022-09-04T14:35:50.585972Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.489673 0.000000 0.000000\n0.000000 4.489673 -0.000000\n0.000000 0.000000 7.294551\nCa Mn Sn\n2 2 2\ndirect\n0.250000 0.250000 0.175447 Ca\n0.750000 0.750000 0.824553 Ca\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.250000 0.250000 0.720196 Sn\n0.750000 0.750000 0.279804 Sn\n",
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{
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{
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}