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{
"id": "jvasp-64263",
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"updated_at": "2022-09-04T14:35:53.328512Z",
"structure_string": "Ba4 Sr1 Pt1\n1.0\n0.000000 5.083226 5.083226\n5.083226 0.000000 5.083226\n5.083226 5.083226 0.000000\nBa Sr Pt\n4 1 1\ndirect\n0.132770 0.622411 0.622411 Ba\n0.622411 0.622411 0.622411 Ba\n0.622411 0.132770 0.622411 Ba\n0.622411 0.622411 0.132770 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Ba1 Ta1 Pt2\n1.0\n3.358654 0.000000 0.000000\n0.000000 3.358654 0.000000\n-0.000000 0.000000 7.873246\nBa Ta Pt\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ba\n0.499999 0.499999 0.500000 Ta\n0.000000 0.000000 0.322748 Pt\n0.000000 0.000000 0.677253 Pt\n",
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{
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"created_at": "2022-09-04T14:35:58.941729Z",
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"structure_string": "Ba4 Ta1 Pt1\n1.0\n0.000000 4.763490 4.763490\n4.763490 -0.000000 4.763490\n4.763490 4.763490 -0.000000\nBa Ta Pt\n4 1 1\ndirect\n0.126665 0.624445 0.624445 Ba\n0.624445 0.624445 0.624445 Ba\n0.624445 0.126665 0.624445 Ba\n0.624445 0.624445 0.126665 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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"density": 7.1079539899208575,
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"formula_full": "Ba4 Ta1 Pt1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66675",
"created_at": "2022-09-04T14:35:45.131463Z",
"updated_at": "2022-09-04T14:35:45.131495Z",
"structure_string": "Ba4 Tc1 Pt1\n1.0\n0.000000 4.726974 4.726974\n4.726974 -0.000000 4.726974\n4.726974 4.726974 -0.000000\nBa Tc Pt\n4 1 1\ndirect\n0.126164 0.624612 0.624612 Ba\n0.624612 0.624612 0.624612 Ba\n0.624612 0.126164 0.624612 Ba\n0.624612 0.624612 0.126164 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Pt"
],
"chemical_system": "Ba-Pt-Tc",
"density": 6.621916421255178,
"density_atomic": 0.028403483986221494,
"volume": 211.2416914386487,
"volume_molar": 21.20212000373382,
"formula_full": "Ba4 Tc1 Pt1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66521",
"created_at": "2022-09-04T14:36:20.456216Z",
"updated_at": "2022-09-04T14:36:20.456233Z",
"structure_string": "Ba4 Te1 Pt1\n1.0\n0.000000 4.843725 4.843725\n4.843725 0.000000 4.843725\n4.843725 4.843725 0.000000\nBa Te Pt\n4 1 1\ndirect\n0.125211 0.624929 0.624929 Ba\n0.624929 0.624929 0.624929 Ba\n0.624929 0.125211 0.624929 Ba\n0.624929 0.624929 0.125211 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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"Te",
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],
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"density": 6.37078820587467,
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"volume": 227.28377321152342,
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"formula_full": "Ba4 Te1 Pt1",
"formula_reduced": "Ba4TePt",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66384",
"created_at": "2022-09-04T14:36:03.121580Z",
"updated_at": "2022-09-04T14:36:03.121608Z",
"structure_string": "Ba4 Ti1 Pt1\n1.0\n-0.000000 4.821119 4.821119\n4.821119 0.000000 4.821119\n4.821119 4.821119 -0.000000\nBa Ti Pt\n4 1 1\ndirect\n0.128061 0.623979 0.623979 Ba\n0.623979 0.623979 0.623979 Ba\n0.623979 0.128061 0.623979 Ba\n0.623979 0.623979 0.128061 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Pt-Ti",
"density": 5.8700625530584025,
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"volume": 224.1163545488985,
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"formula_full": "Ba4 Ti1 Pt1",
"formula_reduced": "Ba4TiPt",
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"spacegroup": 216
},
{
"id": "jvasp-66588",
"created_at": "2022-09-04T14:36:09.965373Z",
"updated_at": "2022-09-04T14:36:09.965403Z",
"structure_string": "Ba4 Tl1 Pt1\n1.0\n-0.000000 4.854010 4.854010\n4.854010 -0.000000 4.854010\n4.854010 4.854010 -0.000000\nBa Tl Pt\n4 1 1\ndirect\n0.127259 0.624247 0.624247 Ba\n0.624247 0.624247 0.624247 Ba\n0.624247 0.127259 0.624247 Ba\n0.624247 0.624247 0.127259 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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"volume": 228.73466940987234,
"volume_molar": 22.95787293130529,
"formula_full": "Ba4 Tl1 Pt1",
"formula_reduced": "Ba4TlPt",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66671",
"created_at": "2022-09-04T14:35:41.245640Z",
"updated_at": "2022-09-04T14:35:41.245669Z",
"structure_string": "Ba4 V1 Pt1\n1.0\n0.000000 4.765757 4.765757\n4.765757 0.000000 4.765757\n4.765757 4.765757 -0.000000\nBa V Pt\n4 1 1\ndirect\n0.127009 0.624331 0.624331 Ba\n0.624331 0.624331 0.624331 Ba\n0.624331 0.127009 0.624331 Ba\n0.624331 0.624331 0.127009 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pt\n",
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"elements": [
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"V",
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"density": 6.100602018573275,
"density_atomic": 0.027715682105142938,
"volume": 216.4839377662885,
"volume_molar": 21.72827909179449,
"formula_full": "Ba4 V1 Pt1",
"formula_reduced": "Ba4VPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.30255158,
"spacegroup": 216
},
{
"id": "jvasp-66061",
"created_at": "2022-09-04T14:35:57.587607Z",
"updated_at": "2022-09-04T14:35:57.587647Z",
"structure_string": "Ba4 Pt1 W1\n1.0\n-0.000000 4.724887 4.724887\n4.724887 0.000000 4.724887\n4.724887 4.724887 -0.000000\nBa Pt W\n4 1 1\ndirect\n0.126245 0.624586 0.624586 Ba\n0.624586 0.624586 0.624586 Ba\n0.624586 0.126245 0.624586 Ba\n0.624586 0.624586 0.126245 Ba\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"elements": [
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"Pt",
"W"
],
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"density": 7.3063649089540785,
"density_atomic": 0.028441138384057967,
"volume": 210.96201983824824,
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"formula_full": "Ba4 Pt1 W1",
"formula_reduced": "Ba4PtW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.979549213333333,
"spacegroup": 216
},
{
"id": "jvasp-69000",
"created_at": "2022-09-04T14:36:21.125491Z",
"updated_at": "2022-09-04T14:36:21.125508Z",
"structure_string": "Ba1 Y1 Pt2\n1.0\n4.296816 0.000000 0.000000\n0.000000 4.298225 0.000000\n0.000000 0.000000 6.073699\nBa Y Pt\n1 1 2\ndirect\n0.500000 0.500001 0.874968 Ba\n0.000000 0.000000 0.374930 Y\n0.000000 0.000000 0.875102 Pt\n0.500000 0.500001 0.375000 Pt\n",
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"volume": 112.17321510075098,
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"formula_full": "Ba1 Y1 Pt2",
"formula_reduced": "BaYPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.768791055,
"spacegroup": 123
},
{
"id": "jvasp-63883",
"created_at": "2022-09-04T14:36:02.529670Z",
"updated_at": "2022-09-04T14:36:02.529694Z",
"structure_string": "Ba4 Y1 Pt1\n1.0\n-0.000000 4.938453 4.938453\n4.938453 -0.000000 4.938453\n4.938453 4.938453 -0.000000\nBa Y Pt\n4 1 1\ndirect\n0.129648 0.623450 0.623450 Ba\n0.623450 0.623450 0.623450 Ba\n0.623450 0.129648 0.623450 Ba\n0.623450 0.623450 0.129648 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Pt\n",
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"volume": 240.88112471211016,
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"formula_full": "Ba4 Y1 Pt1",
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{
"id": "jvasp-66642",
"created_at": "2022-09-04T14:35:45.886612Z",
"updated_at": "2022-09-04T14:35:45.886644Z",
"structure_string": "Ba4 Zn1 Pt1\n1.0\n0.000000 4.832662 4.832662\n4.832662 -0.000000 4.832662\n4.832662 4.832662 0.000000\nBa Zn Pt\n4 1 1\ndirect\n0.127712 0.624096 0.624096 Ba\n0.624096 0.624096 0.624096 Ba\n0.624096 0.127712 0.624096 Ba\n0.624096 0.624096 0.127712 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "Ba4 Zn1 Pt1",
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