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{
"id": "jvasp-18321",
"created_at": "2022-09-04T14:38:12.519090Z",
"updated_at": "2022-09-04T14:38:12.519116Z",
"structure_string": "Bi2 Pt2\n1.0\n1.930041 -3.342930 0.000000\n1.930041 3.342930 0.000000\n-0.000000 -0.000000 7.424870\nBi Pt\n2 2\ndirect\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.666667 0.333333 0.750000 Pt\n0.333333 0.666667 0.250000 Pt\n",
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{
"id": "jvasp-79587",
"created_at": "2022-09-04T14:37:13.736163Z",
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"structure_string": "Bi2 Pt2\n1.0\n-2.216787 -3.840223 0.000000\n-2.216787 3.840223 -0.000000\n0.000000 -0.000000 -5.583613\nBi Pt\n2 2\ndirect\n0.666697 0.333304 0.750000 Bi\n0.333304 0.666697 0.250000 Bi\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-60710",
"created_at": "2022-09-04T14:35:55.275490Z",
"updated_at": "2022-09-04T14:35:55.275519Z",
"structure_string": "Bi6 Pt3\n1.0\n3.544704 -6.139608 -0.000000\n3.544704 6.139608 0.000000\n-0.000000 0.000000 5.715965\nBi Pt\n6 3\ndirect\n-0.000021 0.333323 0.264811 Bi\n0.333323 0.333344 0.735188 Bi\n0.000020 0.666676 0.735188 Bi\n0.333344 0.000021 0.264811 Bi\n0.666655 -0.000021 0.735188 Bi\n0.666676 0.666655 0.264811 Bi\n0.666666 0.333332 -0.000026 Pt\n0.000000 0.000000 0.000000 Pt\n0.333332 0.666666 0.000026 Pt\n",
"nsites": 9,
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"volume": 248.7941561714053,
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"spacegroup": 164
},
{
"id": "jvasp-101227",
"created_at": "2022-09-04T14:36:39.826820Z",
"updated_at": "2022-09-04T14:36:39.826839Z",
"structure_string": "Bi1 Sb1 Pt2\n1.0\n4.330945 -0.000000 0.000000\n-2.165473 3.750708 0.000000\n0.000000 0.000000 5.593660\nBi Sb Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333334 0.666667 0.500000 Sb\n0.666668 0.333333 0.744893 Pt\n0.666668 0.333333 0.255107 Pt\n",
"nsites": 4,
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"elements": [
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"Sb",
"Pt"
],
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"density": 13.174592620680487,
"density_atomic": 0.04402182093858977,
"volume": 90.86402867296155,
"volume_molar": 13.679899267231262,
"formula_full": "Bi1 Sb1 Pt2",
"formula_reduced": "BiSbPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 187
},
{
"id": "jvasp-112874",
"created_at": "2022-09-04T14:38:41.715666Z",
"updated_at": "2022-09-04T14:38:41.715714Z",
"structure_string": "Bi4 Pt6 Se4\n1.0\n7.075047 -0.000000 -2.501407\n-3.537524 6.127171 -2.501407\n-0.000000 -0.000000 7.504221\nBi Pt Se\n4 6 4\ndirect\n0.034920 0.500000 -0.000000 Bi\n0.000000 0.034919 0.500000 Bi\n0.500000 0.000000 0.034919 Bi\n0.465081 0.465081 0.465080 Bi\n0.546182 0.750000 0.296181 Pt\n0.250000 0.203819 0.953819 Pt\n0.296181 0.546181 0.750000 Pt\n0.953819 0.250000 0.203819 Pt\n0.750000 0.296181 0.546181 Pt\n0.203819 0.953819 0.250000 Pt\n0.567559 0.500000 -0.000000 Se\n0.000000 0.567558 0.500000 Se\n0.500000 0.000000 0.567558 Se\n0.932442 0.932442 0.932441 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Se"
],
"chemical_system": "Bi-Pt-Se",
"density": 11.854030507678118,
"density_atomic": 0.04303611802256305,
"volume": 325.30815146152486,
"volume_molar": 13.99322484626216,
"formula_full": "Bi4 Pt6 Se4",
"formula_reduced": "Bi2Pt3Se2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 199
},
{
"id": "jvasp-119566",
"created_at": "2022-09-04T14:38:52.034316Z",
"updated_at": "2022-09-04T14:38:52.034341Z",
"structure_string": "Bi4 Pt4 Se4\n1.0\n6.563512 0.000000 0.000000\n0.000000 6.563512 0.000000\n0.000000 0.000000 6.563512\nBi Pt Se\n4 4 4\ndirect\n0.128906 0.628906 0.871094 Bi\n0.628906 0.871094 0.128906 Bi\n0.871094 0.128906 0.628906 Bi\n0.371094 0.371094 0.371094 Bi\n0.489118 0.989118 0.510882 Pt\n0.989118 0.510882 0.489118 Pt\n0.510882 0.489118 0.989118 Pt\n0.010882 0.010882 0.010882 Pt\n0.879370 0.379370 0.120630 Se\n0.379370 0.120630 0.879370 Se\n0.120630 0.879370 0.379370 Se\n0.620629 0.620629 0.620629 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Bi-Pt-Se",
"density": 11.34669308137615,
"density_atomic": 0.042439708793290266,
"volume": 282.75406078887147,
"volume_molar": 14.18987295443484,
"formula_full": "Bi4 Pt4 Se4",
"formula_reduced": "BiPtSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3342796888888886,
"spacegroup": 198
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{
"id": "jvasp-101431",
"created_at": "2022-09-04T14:36:42.118932Z",
"updated_at": "2022-09-04T14:36:42.118966Z",
"structure_string": "Tb1 Bi1 Pt1\n1.0\n4.134700 0.000000 2.387170\n1.378233 3.898232 2.387170\n0.000000 0.000000 4.774340\nTb Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
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"elements": [
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"Pt"
],
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"density": 12.148553079036027,
"density_atomic": 0.03898488206804956,
"volume": 76.95290689255873,
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"formula_full": "Tb1 Bi1 Pt1",
"formula_reduced": "TbBiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1140013666666666,
"spacegroup": 216
},
{
"id": "jvasp-112573",
"created_at": "2022-09-04T14:38:42.069213Z",
"updated_at": "2022-09-04T14:38:42.069250Z",
"structure_string": "Tb10 Bi2 Pt4\n1.0\n6.991385 -0.100861 -5.293222\n-1.787329 6.759814 -5.293222\n0.078824 0.100861 8.768777\nTb Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.791761 0.291762 0.809442 Tb\n0.208238 0.708238 0.190558 Tb\n0.482318 0.982318 0.190558 Tb\n0.291761 0.482318 0.500000 Tb\n0.017681 0.208238 0.500000 Tb\n0.517680 0.017681 0.809442 Tb\n0.708237 0.517681 0.500000 Tb\n0.982318 0.791761 0.500000 Tb\n0.250000 0.250000 -0.000000 Bi\n0.749999 0.750000 -0.000000 Bi\n0.140362 0.640362 0.780726 Pt\n0.859637 0.359637 0.219274 Pt\n0.640361 0.859637 0.500000 Pt\n0.359637 0.140362 0.500000 Pt\n",
"nsites": 16,
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"elements": [
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"volume": 420.38496726174026,
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"formula_full": "Tb10 Bi2 Pt4",
"formula_reduced": "Tb5BiPt2",
"formula_anonymous": "AB2C5",
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"spacegroup": 140
},
{
"id": "jvasp-13041",
"created_at": "2022-09-04T14:37:51.628467Z",
"updated_at": "2022-09-04T14:37:51.628493Z",
"structure_string": "Bi4 Te4 Pt4\n1.0\n6.779918 -0.000000 -0.000000\n-0.000000 6.779918 -0.000000\n-0.000000 -0.000000 6.779918\nBi Te Pt\n4 4 4\ndirect\n0.368983 0.368983 0.368983 Bi\n0.131018 0.631018 0.868983 Bi\n0.868983 0.131018 0.631018 Bi\n0.631018 0.868983 0.131018 Bi\n0.627059 0.627059 0.627059 Te\n0.872941 0.372941 0.127059 Te\n0.127059 0.872941 0.372941 Te\n0.372941 0.127059 0.872941 Te\n0.004153 0.004153 0.004153 Pt\n0.495847 0.995847 0.504153 Pt\n0.504153 0.495847 0.995847 Pt\n0.995847 0.504153 0.495847 Pt\n",
"nsites": 12,
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"elements": [
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"Te",
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],
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"density": 11.331133231321592,
"density_atomic": 0.03850418383076641,
"volume": 311.65444391036567,
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"formula_full": "Bi4 Te4 Pt4",
"formula_reduced": "BiTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2050844888888892,
"spacegroup": 198
},
{
"id": "jvasp-107500",
"created_at": "2022-09-04T14:36:50.980254Z",
"updated_at": "2022-09-04T14:36:50.980269Z",
"structure_string": "Tm1 Bi1 Pt1\n1.0\n4.095955 -0.000000 2.364801\n1.365318 3.861703 2.364801\n-0.000000 -0.000000 4.729601\nTm Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
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"elements": [
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],
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"volume": 74.8098097674336,
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"formula_full": "Tm1 Bi1 Pt1",
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"spacegroup": 216
},
{
"id": "jvasp-35646",
"created_at": "2022-09-04T14:37:31.095726Z",
"updated_at": "2022-09-04T14:37:31.095747Z",
"structure_string": "Yb1 Bi1 Pt1\n1.0\n3.376476 3.376476 0.000000\n3.376476 0.000000 -3.376476\n0.000000 3.376476 -3.376476\nYb Bi Pt\n1 1 1\ndirect\n0.500001 0.500001 0.500001 Yb\n0.000000 0.000000 0.000000 Bi\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 3,
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"elements": [
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"spacegroup": 216
},
{
"id": "jvasp-36041",
"created_at": "2022-09-04T14:37:17.865949Z",
"updated_at": "2022-09-04T14:37:17.865958Z",
"structure_string": "Pu1 Bi1\n1.0\n3.867761 0.000000 0.000000\n0.000000 3.867761 0.000000\n-0.000000 -0.000000 3.867761\nPu Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Bi\n",
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}