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{
"id": "jvasp-38298",
"created_at": "2022-09-04T14:38:04.865521Z",
"updated_at": "2022-09-04T14:38:04.865553Z",
"structure_string": "Rb1 Pr3\n1.0\n-2.693460 2.693460 5.427784\n2.693460 -2.693460 5.427784\n2.693460 2.693460 -5.427784\nRb Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750001 0.250000 0.500001 Pr\n0.250000 0.750001 0.500001 Pr\n0.500000 0.500000 0.000000 Pr\n",
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{
"id": "jvasp-38210",
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"updated_at": "2022-09-04T14:37:44.070507Z",
"structure_string": "Rb3 Pr1\n1.0\n0.000000 5.047764 5.047764\n5.047764 0.000000 5.047764\n5.047764 5.047764 0.000000\nRb Pr\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749998 0.749998 0.749998 Pr\n",
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{
"id": "jvasp-38172",
"created_at": "2022-09-04T14:37:40.163041Z",
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"structure_string": "Rb6 Pr2\n1.0\n4.494814 -7.785246 -0.000000\n4.494814 7.785246 0.000000\n0.000000 0.000000 7.385742\nRb Pr\n6 2\ndirect\n0.172188 0.827812 0.750000 Rb\n0.655623 0.827811 0.750000 Rb\n0.172188 0.344376 0.750000 Rb\n0.827812 0.172188 0.250000 Rb\n0.344376 0.172188 0.250000 Rb\n0.827811 0.655623 0.250000 Rb\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n",
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"elements": [
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"formula_full": "Rb6 Pr2",
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"spacegroup": 194
},
{
"id": "jvasp-1654",
"created_at": "2022-09-04T14:36:54.438063Z",
"updated_at": "2022-09-04T14:36:54.438099Z",
"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
"nsites": 4,
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"elements": [
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"Pr",
"S"
],
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"density": 4.05703004088719,
"density_atomic": 0.03364068520189813,
"volume": 118.90364230079076,
"volume_molar": 17.901361770301307,
"formula_full": "Rb1 Pr1 S2",
"formula_reduced": "RbPrS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
"nsites": 4,
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"elements": [
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"Pr",
"Se"
],
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"density": 4.8314019198379725,
"density_atomic": 0.030284389200500028,
"volume": 132.08125062446217,
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"formula_full": "Rb1 Pr1 Se2",
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},
{
"id": "jvasp-10096",
"created_at": "2022-09-04T14:37:00.904280Z",
"updated_at": "2022-09-04T14:37:00.904311Z",
"structure_string": "Rb2 Pr2 Te8\n1.0\n6.989514 0.000000 0.000000\n0.000000 6.989514 -0.000000\n0.000000 0.000000 9.100749\nRb Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356373 0.856373 0.288330 Te\n0.143626 0.356373 0.288330 Te\n0.856373 0.643626 0.288330 Te\n0.356373 0.143626 0.711670 Te\n0.643626 0.856373 0.711670 Te\n0.643626 0.143626 0.288330 Te\n0.856373 0.356373 0.711670 Te\n0.143626 0.643626 0.711670 Te\n",
"nsites": 12,
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"elements": [
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"density": 5.5035528920824,
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"volume": 444.6016753275448,
"volume_molar": 22.312115591285785,
"formula_full": "Rb2 Pr2 Te8",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-56617",
"created_at": "2022-09-04T14:38:14.436989Z",
"updated_at": "2022-09-04T14:38:14.437025Z",
"structure_string": "Pr2 Re4\n1.0\n4.796723 0.000000 2.769389\n1.598908 4.522393 2.769389\n0.000000 0.000000 5.538779\nPr Re\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.874999 0.875001 Pr\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
"nsites": 6,
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"elements": [
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],
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"volume": 120.1508857646714,
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"formula_full": "Pr2 Re4",
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"spacegroup": 227
},
{
"id": "jvasp-35476",
"created_at": "2022-09-04T14:37:43.405721Z",
"updated_at": "2022-09-04T14:37:43.405729Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n0.000000 0.000000 4.132898\n4.174875 0.000000 0.000000\n-2.087437 7.088360 0.000000\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.188878 0.377756 Re\n0.500000 0.811123 0.622245 Re\n0.000000 0.303634 0.607269 Re\n0.000000 0.696366 0.392731 Re\n0.500000 0.411064 0.822128 Si\n0.500000 0.588937 0.177872 Si\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.05723400143172733,
"volume": 122.30492058728558,
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"formula_full": "Pr1 Re4 Si2",
"formula_reduced": "Pr(Re2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.767302721428571,
"spacegroup": 65
},
{
"id": "jvasp-37128",
"created_at": "2022-09-04T14:38:08.443148Z",
"updated_at": "2022-09-04T14:38:08.443178Z",
"structure_string": "Pr2 Rh2\n1.0\n-3.991694 -0.000000 -0.000000\n-0.000000 0.000000 -4.239561\n-1.995848 -5.542256 0.000000\nPr Rh\n2 2\ndirect\n0.141230 0.750000 0.717540 Pr\n0.858769 0.250000 0.282461 Pr\n0.414607 0.750000 0.170785 Rh\n0.585392 0.250000 0.829216 Rh\n",
"nsites": 4,
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"volume": 93.79176569923585,
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"spacegroup": 63
},
{
"id": "jvasp-14942",
"created_at": "2022-09-04T14:36:16.190563Z",
"updated_at": "2022-09-04T14:36:16.190580Z",
"structure_string": "Pr2 Rh4\n1.0\n4.701345 -0.000000 2.714323\n1.567115 4.432470 2.714323\n-0.000000 -0.000000 5.428645\nPr Rh\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875002 0.875000 0.874997 Pr\n0.500001 0.000000 0.499999 Rh\n0.000001 0.500000 0.499999 Rh\n0.500001 0.500000 0.499999 Rh\n0.500001 0.500000 -0.000001 Rh\n",
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"formula_full": "Pr2 Rh4",
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"spacegroup": 227
},
{
"id": "jvasp-15452",
"created_at": "2022-09-04T14:36:21.627378Z",
"updated_at": "2022-09-04T14:36:21.627411Z",
"structure_string": "Pr1 Si2 Rh2\n1.0\n3.870840 -0.000000 -1.445201\n-0.539575 3.833049 -1.445201\n-0.004666 -0.005368 5.893953\nPr Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.625868 0.625868 0.251736 Si\n0.374132 0.374132 0.748265 Si\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
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"elements": [
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"volume": 87.38922162806114,
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},
{
"id": "jvasp-16751",
"created_at": "2022-09-04T14:38:32.565877Z",
"updated_at": "2022-09-04T14:38:32.565914Z",
"structure_string": "Pr3 Sn3 Rh3\n1.0\n3.771378 -6.532218 0.000000\n3.771378 6.532218 -0.000000\n0.000000 0.000000 4.171372\nPr Sn Rh\n3 3 3\ndirect\n0.587589 0.000000 0.000000 Pr\n0.000000 0.587589 0.000000 Pr\n0.412412 0.412412 0.000000 Pr\n0.250394 0.000000 0.500000 Sn\n0.749607 0.749607 0.500000 Sn\n0.000000 0.250394 0.500000 Sn\n0.666667 0.333333 0.500000 Rh\n0.333333 0.666667 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Pr3 Sn3 Rh3",
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}
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