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{
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{
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{
"id": "jvasp-128",
"created_at": "2022-09-04T14:37:55.605133Z",
"updated_at": "2022-09-04T14:37:55.605153Z",
"structure_string": "Pt1 Se2\n1.0\n1.890553 -3.274535 0.000000\n1.890553 3.274535 -0.000000\n-0.000000 -0.000000 5.189970\nPt Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666666 0.333332 0.252185 Se\n0.333332 0.666666 0.747815 Se\n",
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"elements": [
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"volume": 64.25890738541683,
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"formula_full": "Pt1 Se2",
"formula_reduced": "PtSe2",
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"spacegroup": 164
},
{
"id": "jvasp-82043",
"created_at": "2022-09-04T14:37:19.306730Z",
"updated_at": "2022-09-04T14:37:19.306753Z",
"structure_string": "Zr1 Sc1 Pt2\n1.0\n-9.000259 -0.000000 -5.196302\n-5.832947 -1.243265 -0.289643\n-4.358322 2.927606 -2.843770\nZr Sc Pt\n1 1 2\ndirect\n0.500000 0.000001 0.000000 Zr\n0.000000 0.000000 0.000000 Sc\n0.750797 0.000001 0.000000 Pt\n0.249203 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Sc-Zr",
"density": 11.286633085523992,
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-95050",
"created_at": "2022-09-04T14:36:09.683906Z",
"updated_at": "2022-09-04T14:36:09.683930Z",
"structure_string": "Sc2 Zn2 Pt2\n1.0\n4.280599 0.000000 0.000000\n-2.140300 4.594559 0.000000\n0.000000 0.000000 5.297935\nSc Zn Pt\n2 2 2\ndirect\n0.291803 0.583605 0.250000 Sc\n0.708198 0.416395 0.750001 Sc\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.604044 0.208088 0.250000 Pt\n0.395956 0.791912 0.750001 Pt\n",
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"volume": 104.19694938793265,
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"formula_full": "Sc2 Zn2 Pt2",
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"spacegroup": 63
},
{
"id": "jvasp-40503",
"created_at": "2022-09-04T14:38:05.639660Z",
"updated_at": "2022-09-04T14:38:05.639693Z",
"structure_string": "Sc1 Zn1 Pt2\n1.0\n-0.000002 3.190031 3.190031\n3.190031 -0.000002 3.190031\n3.190031 3.190031 -0.000002\nSc Zn Pt\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Zn\n-0.000002 -0.000002 -0.000002 Pt\n0.500003 0.500003 0.500003 Pt\n",
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},
{
"id": "jvasp-41981",
"created_at": "2022-09-04T14:37:33.605361Z",
"updated_at": "2022-09-04T14:37:33.605384Z",
"structure_string": "Sc1 Zn2 Pt1\n1.0\n-0.000000 3.150783 3.150783\n3.150783 0.000000 3.150783\n3.150783 3.150783 0.000000\nSc Zn Pt\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250001 0.250001 0.250001 Pt\n",
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},
{
"id": "jvasp-41834",
"created_at": "2022-09-04T14:37:33.648039Z",
"updated_at": "2022-09-04T14:37:33.648050Z",
"structure_string": "Sc2 Zn1 Pt1\n1.0\n0.000000 3.305651 3.305651\n3.305651 0.000000 3.305651\n3.305651 3.305651 0.000000\nSc Zn Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750001 0.750001 0.750001 Zn\n0.250001 0.250001 0.250001 Pt\n",
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},
{
"id": "jvasp-41870",
"created_at": "2022-09-04T14:37:42.522003Z",
"updated_at": "2022-09-04T14:37:42.522021Z",
"structure_string": "Sc2 Tc1 Pt1\n1.0\n0.000153 3.241949 3.241949\n3.241949 0.000153 3.241949\n3.241949 3.241949 0.000153\nSc Tc Pt\n2 1 1\ndirect\n0.499992 0.499992 0.499992 Sc\n0.000009 0.000009 0.000009 Sc\n0.750000 0.750000 0.750000 Tc\n0.249999 0.249999 0.249999 Pt\n",
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"formula_full": "Sc2 Tc1 Pt1",
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},
{
"id": "jvasp-23065",
"created_at": "2022-09-04T14:38:35.049462Z",
"updated_at": "2022-09-04T14:38:35.049490Z",
"structure_string": "Sc6 Sn6 Pt6\n1.0\n3.727322 -6.455910 -0.000000\n3.727322 6.455910 -0.000000\n0.000000 0.000000 7.371879\nSc Sn Pt\n6 6 6\ndirect\n0.981764 0.596267 0.750000 Sc\n0.403733 0.385497 0.750000 Sc\n0.614502 0.018236 0.750000 Sc\n0.018236 0.614502 0.250000 Sc\n0.385497 0.403733 0.250000 Sc\n0.596267 0.981764 0.250000 Sc\n-0.000000 0.274404 0.000000 Sn\n0.725596 0.725596 0.500000 Sn\n-0.000000 0.274404 0.500000 Sn\n0.274404 -0.000000 0.500000 Sn\n0.274404 -0.000000 0.000000 Sn\n0.725596 0.725596 0.000000 Sn\n0.000000 0.000000 0.250000 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.036832 Pt\n0.333333 0.666667 0.536832 Pt\n0.333333 0.666667 0.963168 Pt\n0.666667 0.333333 0.463168 Pt\n",
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{
"id": "jvasp-7749",
"created_at": "2022-09-04T14:37:09.762496Z",
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"structure_string": "Sc1 Sn1 Pt1\n1.0\n3.961187 0.000000 2.286992\n1.320395 3.734643 2.286992\n-0.000000 0.000000 4.573985\nSc Sn Pt\n1 1 1\ndirect\n0.250001 0.250000 0.249999 Sc\n0.500001 0.500000 0.499999 Sn\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-18777",
"created_at": "2022-09-04T14:37:03.589098Z",
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"structure_string": "Sc1 Sn1 Pt2\n1.0\n4.053857 0.000000 2.340495\n1.351286 3.822013 2.340495\n-0.000000 -0.000000 4.680991\nSc Sn Pt\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Sn\n0.750002 0.749999 0.750001 Pt\n0.250001 0.250000 0.250000 Pt\n",
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