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{
"id": "jvasp-94885",
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{
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"structure_string": "Si1 Sb1 Pt5\n1.0\n3.989539 0.000000 0.000000\n0.000000 3.989539 0.000000\n-0.000000 -0.000000 7.344907\nSi Sb Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.301025 Pt\n0.000000 0.500000 0.698975 Pt\n0.500000 0.000000 0.301025 Pt\n0.500000 0.000000 0.698975 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Si2 Se4\n1.0\n8.633196 0.000000 -4.334466\n-1.399032 5.053887 -2.786529\n-2.486381 -0.967224 5.812578\nSi Se\n2 4\ndirect\n0.249983 0.250001 0.500001 Si\n0.750019 0.750001 0.500001 Si\n0.624714 0.281376 0.000577 Se\n0.124137 0.218625 -0.000577 Se\n0.375287 0.718625 -0.000577 Se\n0.875864 0.781376 0.000577 Se\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.03529207326140082,
"volume": 170.00984769467314,
"volume_molar": 17.063720556724718,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
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"spacegroup": 72
},
{
"id": "jvasp-103216",
"created_at": "2022-09-04T14:36:46.236728Z",
"updated_at": "2022-09-04T14:36:46.236738Z",
"structure_string": "Si2 Se4\n1.0\n5.586455 0.084130 -3.135383\n-1.099794 5.094231 -3.726318\n-0.632049 -0.084130 6.374921\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.904959 0.624219 0.280740 Se\n0.343480 0.124219 0.219261 Se\n0.095042 0.375781 0.719261 Se\n0.656521 0.875781 0.780739 Se\n",
"nsites": 6,
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"elements": [
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"formula_full": "Si2 Se4",
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"spacegroup": 72
},
{
"id": "jvasp-22639",
"created_at": "2022-09-04T14:36:49.913820Z",
"updated_at": "2022-09-04T14:36:49.913840Z",
"structure_string": "Si2 Se4\n1.0\n5.271148 -0.000000 -2.710554\n-1.430210 5.041607 -2.781295\n-0.041783 0.027627 6.399356\nSi Se\n2 4\ndirect\n0.750000 0.000000 0.000001 Si\n0.250000 0.000000 0.000000 Si\n0.124368 0.343414 0.248735 Se\n0.875633 0.656587 0.751268 Se\n0.375633 0.094680 0.751267 Se\n0.624368 0.905321 0.248736 Se\n",
"nsites": 6,
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"elements": [
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"density": 3.633663803945555,
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"volume": 170.00439006882556,
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"formula_full": "Si2 Se4",
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},
{
"id": "jvasp-123708",
"created_at": "2022-09-04T14:38:53.012578Z",
"updated_at": "2022-09-04T14:38:53.012608Z",
"structure_string": "Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n",
"nsites": 3,
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"volume": 75.82315373975197,
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"spacegroup": 115
},
{
"id": "jvasp-32747",
"created_at": "2022-09-04T14:36:30.741305Z",
"updated_at": "2022-09-04T14:36:30.741331Z",
"structure_string": "Si2 Se4\n1.0\n5.665409 0.000000 -2.844430\n-1.298623 4.684534 -2.586538\n-0.138284 0.473749 6.788843\nSi Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 -0.000000 0.000000 Si\n0.142364 0.406131 0.284727 Se\n0.357637 0.121404 0.715273 Se\n0.857637 0.593868 0.715273 Se\n0.642364 0.878595 0.284726 Se\n",
"nsites": 6,
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"elements": [
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"volume": 187.0241072533925,
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"formula_full": "Si2 Se4",
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"spacegroup": 72
},
{
"id": "jvasp-36403",
"created_at": "2022-09-04T14:37:17.571475Z",
"updated_at": "2022-09-04T14:37:17.571500Z",
"structure_string": "Si1 Sn1\n1.0\n3.038042 3.038042 0.000000\n3.038042 0.000000 -3.038042\n0.000000 3.038042 -3.038042\nSi Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 2,
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"elements": [
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"density": 4.346608487134336,
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"volume": 56.080427596042334,
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"formula_full": "Si1 Sn1",
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"formula_anonymous": "AB",
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},
{
"id": "jvasp-37210",
"created_at": "2022-09-04T14:38:06.133204Z",
"updated_at": "2022-09-04T14:38:06.133229Z",
"structure_string": "Si1 Sn3\n1.0\n4.680959 0.000000 -0.000000\n0.000000 4.680959 -0.000000\n0.000000 0.000000 4.680959\nSi Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-122610",
"created_at": "2022-09-04T14:38:54.201095Z",
"updated_at": "2022-09-04T14:38:54.201123Z",
"structure_string": "Si1 Sn7\n1.0\n6.489066 -0.000000 -0.000000\n-0.000000 6.489066 0.000000\n0.000000 -0.000000 6.489066\nSi Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Si\n0.238908 0.238908 0.738908 Sn\n0.000000 0.500000 0.000000 Sn\n0.238908 0.761092 0.261092 Sn\n0.500000 0.000000 0.000000 Sn\n0.761092 0.238908 0.261092 Sn\n0.500000 0.500000 0.500000 Sn\n0.761092 0.761092 0.738908 Sn\n",
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},
{
"id": "jvasp-101755",
"created_at": "2022-09-04T14:36:36.389865Z",
"updated_at": "2022-09-04T14:36:36.389892Z",
"structure_string": "Si2 Sn2 N4\n1.0\n4.389389 0.000000 2.335809\n1.533058 4.449958 2.411233\n0.002014 -0.000093 5.288330\nSi Sn N\n2 2 4\ndirect\n0.620143 0.879475 0.879475 Si\n0.879094 0.120526 0.120525 Si\n0.178609 0.369720 0.369719 Sn\n0.418047 0.630282 0.630280 Sn\n0.935036 0.909674 0.909672 N\n0.254383 0.090327 0.090327 N\n0.627345 0.500000 -0.000000 N\n0.627343 0.000000 0.500000 N\n",
"nsites": 8,
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"formula_full": "Si2 Sn2 N4",
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"spacegroup": 46
},
{
"id": "jvasp-37209",
"created_at": "2022-09-04T14:38:07.458358Z",
"updated_at": "2022-09-04T14:38:07.458382Z",
"structure_string": "Si1 Sn1 O3\n1.0\n3.706498 0.000000 -0.000000\n0.000000 3.706498 0.000000\n-0.000000 0.000000 3.706498\nSi Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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}
]
}