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{
"id": "jvasp-78724",
"created_at": "2022-09-04T14:37:12.715636Z",
"updated_at": "2022-09-04T14:37:12.715671Z",
"structure_string": "Mn2 S2\n1.0\n3.052454 0.000000 1.762334\n1.017485 2.877881 1.762334\n-1.019221 -2.879109 5.290013\nMn S\n2 2\ndirect\n0.000055 -0.000026 -0.000081 Mn\n0.000056 0.499971 0.499915 Mn\n0.249943 0.375027 0.125083 S\n0.249943 0.875027 0.625083 S\n",
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{
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{
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"elements": [
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"spacegroup": 62
},
{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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],
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"density": 4.797020484301083,
"density_atomic": 0.037559996873132044,
"volume": 106.49628149626757,
"volume_molar": 16.03338993967767,
"formula_full": "Sb2 S2",
"formula_reduced": "SbS",
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"spacegroup": 11
},
{
"id": "jvasp-36136",
"created_at": "2022-09-04T14:37:12.586650Z",
"updated_at": "2022-09-04T14:37:12.586666Z",
"structure_string": "Hf2 Cd2\n1.0\n3.073738 -0.000000 0.000000\n0.000000 3.073738 0.000000\n0.000000 -0.000000 9.065421\nHf Cd\n2 2\ndirect\n0.500000 0.000000 0.880788 Hf\n0.000000 0.500000 0.119212 Hf\n0.500000 0.000000 0.376312 Cd\n0.000000 0.500000 0.623688 Cd\n",
"nsites": 4,
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"elements": [
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"volume": 85.64887642910607,
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"formula_full": "Hf2 Cd2",
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{
"id": "jvasp-35711",
"created_at": "2022-09-04T14:37:29.263888Z",
"updated_at": "2022-09-04T14:37:29.263905Z",
"structure_string": "Ga2 Sb2\n1.0\n4.363506 -0.000000 0.000000\n-2.181753 3.778769 -0.000000\n-0.000000 0.000000 7.205060\nGa Sb\n2 2\ndirect\n0.666676 0.333350 0.500586 Ga\n0.333326 0.666650 0.000586 Ga\n0.666665 0.333328 0.874313 Sb\n0.333337 0.666672 0.374314 Sb\n",
"nsites": 4,
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"density": 5.352858868429511,
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"volume": 118.80193739651362,
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"formula_full": "Ga2 Sb2",
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{
"id": "jvasp-79311",
"created_at": "2022-09-04T14:37:12.523432Z",
"updated_at": "2022-09-04T14:37:12.523468Z",
"structure_string": "V2 S2\n1.0\n0.000000 0.000000 6.116020\n1.596226 2.764745 0.000000\n-1.596226 2.764745 0.000000\nV S\n2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.250001 0.333334 0.333334 S\n0.749999 0.666668 0.666668 S\n",
"nsites": 4,
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"elements": [
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"volume": 53.98192337650393,
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{
"id": "jvasp-35690",
"created_at": "2022-09-04T14:37:12.510496Z",
"updated_at": "2022-09-04T14:37:12.510519Z",
"structure_string": "Cu1 Pd1\n1.0\n3.013675 0.000000 0.000000\n0.000000 3.013675 0.000000\n0.000000 0.000000 3.013675\nCu Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 Pd\n",
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"density": 10.311501397837933,
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"formula_full": "Cu1 Pd1",
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"spacegroup": 221
},
{
"id": "jvasp-79613",
"created_at": "2022-09-04T14:37:12.439087Z",
"updated_at": "2022-09-04T14:37:12.439116Z",
"structure_string": "Zr2 Br2\n1.0\n-1.723706 -2.985608 0.000232\n-1.723758 2.985638 0.000000\n0.000380 0.000219 -9.672322\nZr Br\n2 2\ndirect\n0.333285 0.666644 0.371784 Zr\n0.666716 0.333358 0.628216 Zr\n0.333475 0.666738 0.829109 Br\n0.666527 0.333264 0.170891 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"density": 5.708667071919115,
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"volume": 99.55554451123227,
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"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
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"spacegroup": 164
},
{
"id": "jvasp-79493",
"created_at": "2022-09-04T14:37:12.446141Z",
"updated_at": "2022-09-04T14:37:12.446161Z",
"structure_string": "Bi2 Se2\n1.0\n2.879815 2.915890 -0.460056\n2.879815 -2.915890 -0.460056\n1.677716 0.000000 -7.601285\nBi Se\n2 2\ndirect\n0.390704 0.390704 0.219645 Bi\n0.609295 0.609295 0.780357 Bi\n0.852440 0.852440 0.291358 Se\n0.147559 0.147559 0.708643 Se\n",
"nsites": 4,
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"density": 7.764589479372263,
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"volume": 123.15816163176888,
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"spacegroup": 139
},
{
"id": "jvasp-79197",
"created_at": "2022-09-04T14:37:12.325828Z",
"updated_at": "2022-09-04T14:37:12.325856Z",
"structure_string": "Mg2 Cd2\n1.0\n4.982638 0.000000 0.000000\n-2.491318 4.315090 -0.000000\n0.000000 0.000000 5.708269\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.437517 Mg\n0.666667 0.333333 0.937517 Mg\n0.333333 0.666667 0.937483 Cd\n0.666667 0.333333 0.437483 Cd\n",
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{
"id": "jvasp-78296",
"created_at": "2022-09-04T14:37:12.401401Z",
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"structure_string": "Tc1 C1\n1.0\n-2.165548 -2.165548 0.000000\n-2.165548 -0.000000 -2.165548\n0.000000 -2.165548 -2.165548\nTc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 C\n",
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}