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{
"id": "jvasp-56386",
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{
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{
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"structure_string": "Sc1 Pt1\n1.0\n3.293169 -0.000000 -0.000000\n0.000000 3.293169 0.000000\n0.000000 0.000000 3.293169\nSc Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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"spacegroup": 221
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{
"id": "jvasp-14738",
"created_at": "2022-09-04T14:36:58.619248Z",
"updated_at": "2022-09-04T14:36:58.619270Z",
"structure_string": "Sc1 Pt3\n1.0\n4.005426 0.000000 -0.000000\n0.000000 4.005426 -0.000000\n0.000000 0.000000 4.005426\nSc Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n0.000000 0.500001 0.500001 Pt\n",
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"elements": [
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"density": 16.284964305170607,
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"volume": 64.26080145746144,
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"formula_full": "Sc1 Pt3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-21914",
"created_at": "2022-09-04T14:38:17.051264Z",
"updated_at": "2022-09-04T14:38:17.051291Z",
"structure_string": "Sc5 Si7 Pt9\n1.0\n5.024435 -8.702577 0.000000\n5.024435 8.702577 -0.000000\n-0.000000 -0.000000 3.913793\nSc Si Pt\n5 7 9\ndirect\n0.333333 0.666668 0.000000 Sc\n0.666668 0.333333 0.500000 Sc\n0.229873 0.125143 0.500000 Sc\n0.895270 0.770128 0.500000 Sc\n0.874858 0.104731 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.683358 0.572121 0.000000 Si\n0.888764 0.316643 0.000000 Si\n0.427880 0.111237 0.000000 Si\n0.144678 0.717363 0.500000 Si\n0.572687 0.855323 0.500000 Si\n0.282637 0.427314 0.500000 Si\n0.159700 0.876078 0.000000 Pt\n0.549476 0.602062 0.500000 Pt\n0.397939 0.947414 0.500000 Pt\n0.052587 0.450524 0.500000 Pt\n0.651916 0.086289 0.000000 Pt\n0.913712 0.565627 0.000000 Pt\n0.434374 0.348085 0.000000 Pt\n0.716379 0.840301 0.000000 Pt\n0.123923 0.283622 0.000000 Pt\n",
"nsites": 21,
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"elements": [
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"chemical_system": "Pt-Sc-Si",
"density": 10.562611707552248,
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"volume": 342.26536579685074,
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"formula_anonymous": "A5B7C9",
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"spacegroup": 174
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{
"id": "jvasp-120458",
"created_at": "2022-09-04T14:38:50.894479Z",
"updated_at": "2022-09-04T14:38:50.894505Z",
"structure_string": "Sc12 Si12 Pt4\n1.0\n4.038989 -0.000000 0.000000\n0.000000 10.253170 0.000000\n-0.000000 0.000000 11.718808\nSc Si Pt\n12 12 4\ndirect\n0.250000 0.875689 0.020393 Sc\n0.750000 0.157762 0.698938 Sc\n0.750000 0.342238 0.198938 Sc\n0.250000 0.842238 0.301063 Sc\n0.750000 0.420154 0.900398 Sc\n0.750000 0.079846 0.400398 Sc\n0.250000 0.657762 0.801063 Sc\n0.250000 0.920154 0.599602 Sc\n0.750000 0.375689 0.479607 Sc\n0.750000 0.124311 0.979607 Sc\n0.250000 0.624311 0.520393 Sc\n0.250000 0.579846 0.099602 Sc\n0.750000 0.747809 0.655705 Si\n0.750000 0.686268 0.957164 Si\n0.750000 0.813732 0.457164 Si\n0.250000 0.313732 0.042836 Si\n0.250000 0.186268 0.542836 Si\n0.750000 0.752191 0.155705 Si\n0.250000 0.482420 0.324535 Si\n0.250000 0.247809 0.844295 Si\n0.750000 0.517580 0.675465 Si\n0.750000 0.982420 0.175465 Si\n0.250000 0.017580 0.824535 Si\n0.250000 0.252191 0.344295 Si\n0.750000 0.613501 0.322970 Pt\n0.250000 0.386499 0.677030 Pt\n0.250000 0.113501 0.177030 Pt\n0.750000 0.886499 0.822970 Pt\n",
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"formula_full": "Sc12 Si12 Pt4",
"formula_reduced": "Sc3Si3Pt",
"formula_anonymous": "AB3C3",
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"spacegroup": 62
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{
"id": "jvasp-17266",
"created_at": "2022-09-04T14:37:45.597193Z",
"updated_at": "2022-09-04T14:37:45.597222Z",
"structure_string": "Sc2 Si2 Pt4\n1.0\n3.702689 0.000000 0.000000\n-1.851345 4.989816 -0.000000\n0.000000 0.000000 7.016519\nSc Si Pt\n2 2 4\ndirect\n0.952837 0.905672 0.250000 Sc\n0.047165 0.094329 0.750000 Sc\n0.233705 0.467408 0.250000 Si\n0.766297 0.532593 0.750000 Si\n0.363327 0.726653 0.547439 Pt\n0.636675 0.273348 0.452562 Pt\n0.636675 0.273348 0.047438 Pt\n0.363327 0.726653 0.952562 Pt\n",
"nsites": 8,
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"density": 11.86678286107016,
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"volume": 129.63535840301867,
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"formula_full": "Sc2 Si2 Pt4",
"formula_reduced": "ScSiPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-18777",
"created_at": "2022-09-04T14:37:03.589098Z",
"updated_at": "2022-09-04T14:37:03.589119Z",
"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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"formula_full": "Sc1 Sn1 Pt2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-90081",
"created_at": "2022-09-04T14:35:46.371337Z",
"updated_at": "2022-09-04T14:35:46.371361Z",
"structure_string": "Sc3 Sn3 Pt3\n1.0\n0.000000 0.000000 -3.711987\n-3.720760 -6.444546 0.000000\n-3.720732 6.444530 0.000000\nSc Sn Pt\n3 3 3\ndirect\n0.500000 0.605736 -0.000000 Sc\n0.500000 0.394241 0.394252 Sc\n0.500000 0.999989 0.605747 Sc\n0.000000 0.272058 -0.000000 Sn\n0.000000 0.727920 0.727931 Sn\n0.000000 0.999989 0.272068 Sn\n0.000000 0.333322 0.666666 Pt\n0.000000 0.666656 0.333334 Pt\n0.500000 0.999989 -0.000000 Pt\n",
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{
"id": "jvasp-7749",
"created_at": "2022-09-04T14:37:09.762496Z",
"updated_at": "2022-09-04T14:37:09.762523Z",
"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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{
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"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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{
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"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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}