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{
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"results": [
{
"id": "jvasp-117745",
"created_at": "2022-09-04T14:38:49.948728Z",
"updated_at": "2022-09-04T14:38:49.948754Z",
"structure_string": "Bi1 Te1 Pb1\n1.0\n6.235126 1.693056 0.000000\n1.565066 6.108790 0.000000\n0.000000 0.000000 3.254838\nBi Te Pb\n1 1 1\ndirect\n0.005300 -0.108031 0.000000 Bi\n-0.108520 0.444644 0.000000 Te\n0.454968 -0.003406 0.000000 Pb\n",
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"volume": 115.34928115475414,
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{
"id": "jvasp-36183",
"created_at": "2022-09-04T14:37:08.477768Z",
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"structure_string": "Bi2 Pd2\n1.0\n4.319307 0.000000 0.000000\n-2.159654 3.740793 0.000000\n0.000000 -0.000000 5.766289\nBi Pd\n2 2\ndirect\n0.333333 0.666663 0.250000 Bi\n0.666668 0.333337 0.750000 Bi\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"spacegroup": 194
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{
"id": "jvasp-86857",
"created_at": "2022-09-04T14:36:17.157573Z",
"updated_at": "2022-09-04T14:36:17.157595Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746006 0.027554 0.000000\n-1.049671 5.649384 -0.000000\n-0.000000 -0.000000 10.837805\nBi Pd\n8 8\ndirect\n0.849429 0.394548 0.279323 Bi\n0.122359 0.122359 0.993466 Bi\n0.394549 0.849427 0.279323 Bi\n0.605452 0.150571 0.779323 Bi\n0.365491 0.365491 0.497519 Bi\n0.634509 0.634508 0.997519 Bi\n0.150572 0.605451 0.779323 Bi\n0.877642 0.877640 0.493466 Bi\n0.087325 0.087325 0.722304 Pd\n0.327652 0.327651 0.228793 Pd\n0.623676 0.132698 0.055636 Pd\n0.672349 0.672347 0.728793 Pd\n0.867302 0.376323 0.555636 Pd\n0.376325 0.867301 0.555636 Pd\n0.132698 0.623675 0.055636 Pd\n0.912676 0.912674 0.222304 Pd\n",
"nsites": 16,
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"elements": [
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"volume": 352.1237199804079,
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"formula_full": "Bi8 Pd8",
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"formula_anonymous": "AB",
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"spacegroup": 36
},
{
"id": "jvasp-29615",
"created_at": "2022-09-04T14:38:06.885744Z",
"updated_at": "2022-09-04T14:38:06.885770Z",
"structure_string": "Bi2 Pd1\n1.0\n3.321868 0.000000 -0.832743\n-0.208756 3.315303 -0.832743\n-0.024032 -0.025592 6.946083\nBi Pd\n2 1\ndirect\n0.636403 0.636403 0.272808 Bi\n0.363597 0.363597 0.727192 Bi\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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"density": 11.403939488172195,
"density_atomic": 0.039289841756236114,
"volume": 76.35561422244308,
"volume_molar": 15.327475222127006,
"formula_full": "Bi2 Pd1",
"formula_reduced": "Bi2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-123832",
"created_at": "2022-09-04T14:38:55.507869Z",
"updated_at": "2022-09-04T14:38:55.507894Z",
"structure_string": "Bi5 Pd1\n1.0\n2.230220 -3.862863 -0.000000\n2.230220 3.862863 -0.000000\n-0.000000 -0.000000 10.692310\nBi Pd\n5 1\ndirect\n0.666667 0.333333 0.129029 Bi\n0.666667 0.333333 0.566317 Bi\n0.333333 0.666667 0.370983 Bi\n0.333333 0.666667 0.933690 Bi\n0.000000 0.000000 0.750002 Bi\n0.000000 0.000000 0.249979 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 10.377371197261109,
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"volume": 184.22923521716456,
"volume_molar": 18.4909064430819,
"formula_full": "Bi5 Pd1",
"formula_reduced": "Bi5Pd",
"formula_anonymous": "AB5",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-86255",
"created_at": "2022-09-04T14:35:59.124072Z",
"updated_at": "2022-09-04T14:35:59.124100Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746225 0.027192 -0.000000\n-1.050068 5.649532 -0.000000\n0.000000 0.000000 10.837616\nBi Pd\n8 8\ndirect\n0.849385 0.394490 0.279321 Bi\n0.122406 0.122406 0.993467 Bi\n0.394490 0.849385 0.279321 Bi\n0.605510 0.150615 0.779321 Bi\n0.365424 0.365423 0.497509 Bi\n0.634577 0.634576 0.997509 Bi\n0.150615 0.605510 0.779321 Bi\n0.877594 0.877594 0.493467 Bi\n0.087414 0.087414 0.722306 Pd\n0.327573 0.327573 0.228787 Pd\n0.623726 0.132769 0.055645 Pd\n0.672427 0.672426 0.728787 Pd\n0.867231 0.376274 0.555645 Pd\n0.376274 0.867230 0.555645 Pd\n0.132769 0.623726 0.055645 Pd\n0.912586 0.912585 0.222306 Pd\n",
"nsites": 16,
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"elements": [
"Bi",
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],
"chemical_system": "Bi-Pd",
"density": 11.898457033625409,
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"volume": 352.13620343624467,
"volume_molar": 13.253836148656632,
"formula_full": "Bi8 Pd8",
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"formula_anonymous": "AB",
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"spacegroup": 36
},
{
"id": "jvasp-86153",
"created_at": "2022-09-04T14:35:44.521860Z",
"updated_at": "2022-09-04T14:35:44.521874Z",
"structure_string": "Bi4 Pd2\n1.0\n4.092830 0.000001 -1.365429\n-0.400926 5.609846 -1.201930\n0.001147 -0.015674 6.820889\nBi Pd\n4 2\ndirect\n0.843376 0.684694 0.686744 Bi\n0.156624 0.315307 0.313257 Bi\n0.427170 0.207400 0.854350 Bi\n0.572830 0.792601 0.145650 Bi\n0.776081 0.170549 0.552173 Pd\n0.223919 0.829452 0.447827 Pd\n",
"nsites": 6,
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"elements": [
"Bi",
"Pd"
],
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"density": 11.125602629910246,
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"volume": 156.5317103514034,
"volume_molar": 15.710933218995006,
"formula_full": "Bi4 Pd2",
"formula_reduced": "Bi2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9523281,
"spacegroup": 12
},
{
"id": "jvasp-86755",
"created_at": "2022-09-04T14:35:45.721847Z",
"updated_at": "2022-09-04T14:35:45.721880Z",
"structure_string": "Bi4 Pd2\n1.0\n4.092830 0.000001 -1.365429\n-0.400926 5.609846 -1.201930\n0.001147 -0.015674 6.820889\nBi Pd\n4 2\ndirect\n0.843376 0.684694 0.686744 Bi\n0.156624 0.315307 0.313257 Bi\n0.427170 0.207400 0.854350 Bi\n0.572830 0.792601 0.145650 Bi\n0.776081 0.170549 0.552173 Pd\n0.223919 0.829452 0.447827 Pd\n",
"nsites": 6,
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"elements": [
"Bi",
"Pd"
],
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"density": 11.125602629910246,
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"volume": 156.5317103514034,
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"formula_full": "Bi4 Pd2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-42103",
"created_at": "2022-09-04T14:37:39.247471Z",
"updated_at": "2022-09-04T14:37:39.247493Z",
"structure_string": "Pm1 Bi1 Pd2\n1.0\n0.000000 3.514745 3.514745\n3.514745 0.000000 3.514745\n3.514745 3.514745 0.000000\nPm Bi Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Pm\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Bi",
"Pd"
],
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"density": 10.838847568668223,
"density_atomic": 0.04606260872562863,
"volume": 86.8383296270941,
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"formula_full": "Pm1 Bi1 Pd2",
"formula_reduced": "PmBiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.26908171875,
"spacegroup": 225
},
{
"id": "jvasp-38657",
"created_at": "2022-09-04T14:37:56.526377Z",
"updated_at": "2022-09-04T14:37:56.526397Z",
"structure_string": "Pr1 Bi1 Pd2\n1.0\n0.000002 3.546723 3.546718\n3.546721 -0.000001 3.546721\n3.546718 3.546722 0.000002\nPr Bi Pd\n1 1 2\ndirect\n0.749999 0.750000 0.749999 Pr\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Bi",
"Pd"
],
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"density": 10.472176510836952,
"density_atomic": 0.04482799180429671,
"volume": 89.22996188324913,
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"formula_reduced": "PrBiPd2",
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},
{
"id": "jvasp-106127",
"created_at": "2022-09-04T14:35:47.680267Z",
"updated_at": "2022-09-04T14:35:47.680298Z",
"structure_string": "Bi2 Pd1 Pt1\n1.0\n4.382216 0.000000 0.000000\n-2.191108 3.795110 0.000000\n-0.000000 0.000000 5.658797\nBi Pd Pt\n2 1 1\ndirect\n0.333333 0.666667 0.245790 Bi\n0.666667 0.333333 0.754210 Bi\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"formula_full": "Bi2 Pd1 Pt1",
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"formula_anonymous": "ABC2",
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"spacegroup": 164
},
{
"id": "jvasp-23869",
"created_at": "2022-09-04T14:37:41.769067Z",
"updated_at": "2022-09-04T14:37:41.769095Z",
"structure_string": "Bi4 Pd6 S4\n1.0\n6.889098 -0.000000 -2.435664\n-3.444548 5.966134 -2.435664\n0.000000 0.000000 7.306992\nBi Pd S\n4 6 4\ndirect\n0.492221 0.500000 0.000000 Bi\n0.500000 0.000000 0.492222 Bi\n-0.000000 0.492221 0.500000 Bi\n0.007778 0.007778 0.007778 Bi\n0.250000 0.530138 0.280139 Pd\n0.969861 0.219861 0.750001 Pd\n0.219861 0.749999 0.969861 Pd\n0.530139 0.280139 0.250000 Pd\n0.280139 0.250000 0.530139 Pd\n0.750000 0.969861 0.219862 Pd\n0.944508 0.500000 0.000001 S\n0.555492 0.555492 0.555492 S\n0.500000 -0.000000 0.944508 S\n-0.000001 0.944507 0.500000 S\n",
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"formula_full": "Bi4 Pd6 S4",
"formula_reduced": "Bi2Pd3S2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 199
}
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}