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{
"id": "jvasp-18662",
"created_at": "2022-09-04T14:36:03.723953Z",
"updated_at": "2022-09-04T14:36:03.723978Z",
"structure_string": "Ce3 Tl3 Pd3\n1.0\n3.928850 -6.804968 0.000000\n3.928850 6.804968 -0.000000\n-0.000000 -0.000000 3.948301\nCe Tl Pd\n3 3 3\ndirect\n-0.000000 0.406255 0.500000 Ce\n0.593745 0.593745 0.500000 Ce\n0.406255 -0.000000 0.500000 Ce\n-0.000000 0.737783 0.000000 Tl\n0.262217 0.262217 0.000000 Tl\n0.737783 -0.000000 0.000000 Tl\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
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"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.330151 -0.011364 2.519372\n-1.207346 5.191624 2.519372\n-0.009021 -0.011335 6.773984\nGa Ag Se S\n2 2 2 2\ndirect\n0.249145 0.492921 0.501402 Ga\n0.492921 0.249146 0.001402 Ga\n0.735316 0.032876 0.498131 Ag\n0.032875 0.735315 -0.001868 Ag\n0.870663 0.605528 0.742395 Se\n0.605528 0.870663 0.242396 Se\n0.362605 0.160944 0.758070 S\n0.160944 0.362605 0.258071 S\n",
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},
{
"id": "jvasp-16307",
"created_at": "2022-09-04T14:38:29.217523Z",
"updated_at": "2022-09-04T14:38:29.217546Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n4.013323 0.000000 2.317093\n1.337774 3.783797 2.317093\n-0.000000 0.000000 4.634185\nCd Cu Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"volume": 70.37287754602782,
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"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-4609",
"created_at": "2022-09-04T14:36:17.762156Z",
"updated_at": "2022-09-04T14:36:17.762189Z",
"structure_string": "Mn2 P2 Se6\n1.0\n5.791033 -0.000322 4.932609\n2.277772 5.324264 4.932613\n-0.000492 -0.000330 7.607016\nMn P Se\n2 2 6\ndirect\n0.832472 0.832472 0.832473 Mn\n0.167527 0.167527 0.167528 Mn\n0.556344 0.556344 0.556344 P\n0.443656 0.443656 0.443656 P\n0.412416 0.754359 0.078167 Se\n0.078167 0.412416 0.754360 Se\n0.754359 0.078167 0.412417 Se\n0.587584 0.245641 0.921834 Se\n0.921833 0.587584 0.245641 Se\n0.245640 0.921833 0.587584 Se\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.570111553031698,
"density_atomic": 0.04263096905487761,
"volume": 234.571257039156,
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"formula_full": "Mn2 P2 Se6",
"formula_reduced": "MnPSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-131",
"created_at": "2022-09-04T14:35:44.126208Z",
"updated_at": "2022-09-04T14:35:44.126232Z",
"structure_string": "Sn1 S2\n1.0\n1.855017 -3.212985 -0.000000\n1.855017 3.212985 0.000000\n0.000000 0.000000 5.903337\nSn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.333334 0.666667 0.251015 S\n0.666667 0.333334 0.748985 S\n",
"nsites": 3,
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"elements": [
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"density": 4.314556357377239,
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"volume": 70.3694511761358,
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"formula_full": "Sn1 S2",
"formula_reduced": "SnS2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-1372",
"created_at": "2022-09-04T14:35:41.278988Z",
"updated_at": "2022-09-04T14:35:41.279014Z",
"structure_string": "Al1 As1\n1.0\n3.505894 -0.000000 2.024129\n1.168631 3.305388 2.024129\n-0.000000 -0.000000 4.048257\nAl As\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 As\n",
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{
"id": "jvasp-8051",
"created_at": "2022-09-04T14:37:07.085313Z",
"updated_at": "2022-09-04T14:37:07.085330Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.233855 -0.000000 -2.372554\n-1.075500 5.122162 -2.372554\n0.012040 0.014831 6.985780\nZn Ge As\n2 2 4\ndirect\n0.250000 0.750000 0.500001 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500001 Ge\n0.500000 0.500000 0.000001 Ge\n0.875554 0.875000 0.250001 As\n0.625001 0.124447 0.750001 As\n0.125000 0.625553 0.750000 As\n0.374447 0.375000 0.250000 As\n",
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"formula_full": "Zn2 Ge2 As4",
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"spacegroup": 122
},
{
"id": "jvasp-71380",
"created_at": "2022-09-04T14:36:16.650031Z",
"updated_at": "2022-09-04T14:36:16.650059Z",
"structure_string": "Be1 Ga1 Te2\n1.0\n3.144357 0.000000 0.000000\n0.000000 3.144357 0.000000\n-0.000000 0.000000 9.489315\nBe Ga Te\n1 1 2\ndirect\n0.000000 0.000000 0.534379 Be\n0.500001 0.500001 0.670235 Ga\n0.000000 0.000000 0.960659 Te\n0.500001 0.500001 0.334725 Te\n",
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"spacegroup": 99
},
{
"id": "jvasp-93831",
"created_at": "2022-09-04T14:35:43.542039Z",
"updated_at": "2022-09-04T14:35:43.542060Z",
"structure_string": "Sr2 Mn2 Ge2\n1.0\n4.393288 0.000000 0.000000\n0.000000 4.393288 0.000000\n0.000000 0.000000 7.291392\nSr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.330342 Sr\n0.500000 0.000000 0.669658 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.813306 Ge\n0.500000 0.000000 0.186694 Ge\n",
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"formula_full": "Sr2 Mn2 Ge2",
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},
{
"id": "jvasp-103382",
"created_at": "2022-09-04T14:36:42.066245Z",
"updated_at": "2022-09-04T14:36:42.066264Z",
"structure_string": "Lu4 Sn2 Au4\n1.0\n8.162410 0.000000 -0.000000\n-0.000000 8.162410 0.000000\n-0.000000 0.000000 3.520468\nLu Sn Au\n4 2 4\ndirect\n0.840080 0.340080 0.500000 Lu\n0.159920 0.659920 0.500000 Lu\n0.340080 0.159920 0.500000 Lu\n0.659920 0.840080 0.500000 Lu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.632256 0.132256 0.000000 Au\n0.367744 0.867744 0.000000 Au\n0.132256 0.367744 0.000000 Au\n0.867744 0.632256 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:37:27.194735Z",
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"structure_string": "Pt2 Pb2\n1.0\n1.927353 -3.338273 0.000000\n1.927353 3.338273 -0.000000\n-0.000000 -0.000000 7.290927\nPt Pb\n2 2\ndirect\n0.666666 0.333332 0.750000 Pt\n0.333332 0.666666 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
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},
{
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"structure_string": "Pt2 Pb2\n1.0\n1.927353 -3.338273 0.000000\n1.927353 3.338273 0.000000\n0.000000 0.000000 7.290927\nPt Pb\n2 2\ndirect\n0.666666 0.333332 0.750000 Pt\n0.333332 0.666666 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
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