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{
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"results": [
{
"id": "jvasp-1486",
"created_at": "2022-09-04T14:36:47.820611Z",
"updated_at": "2022-09-04T14:36:47.820628Z",
"structure_string": "K1 Pr1 O2\n1.0\n3.525749 0.002032 5.566324\n1.616083 3.133557 5.566324\n0.003331 0.002032 6.588995\nK Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pr\n0.768123 0.768123 0.768124 O\n0.231876 0.231876 0.231876 O\n",
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"Pr",
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},
{
"id": "jvasp-34683",
"created_at": "2022-09-04T14:38:12.725511Z",
"updated_at": "2022-09-04T14:38:12.725538Z",
"structure_string": "K2 Sm2 Pd2 O6\n1.0\n3.933072 0.000000 0.000000\n-1.966536 6.387529 -1.662655\n0.000000 0.003629 7.361581\nK Sm Pd O\n2 2 2 6\ndirect\n0.355626 0.711252 0.436078 K\n0.644373 0.288748 0.563922 K\n0.350334 0.700671 0.922331 Sm\n0.649665 0.299329 0.077670 Sm\n0.006891 0.013782 0.770961 Pd\n0.993108 0.986219 0.229040 Pd\n0.830094 0.660191 0.133613 O\n0.847027 0.694056 0.722111 O\n0.169904 0.339809 0.866387 O\n0.493714 0.987430 0.190295 O\n0.506285 0.012571 0.809705 O\n0.152972 0.305944 0.277890 O\n",
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},
{
"id": "jvasp-57632",
"created_at": "2022-09-04T14:37:28.291767Z",
"updated_at": "2022-09-04T14:37:28.291794Z",
"structure_string": "K2 Pr2 Pd2 O6\n1.0\n3.974641 0.000000 0.000000\n-1.987320 6.472343 -1.747191\n0.000000 -0.004180 7.426466\nK Pr Pd O\n2 2 2 6\ndirect\n0.643722 0.287444 0.565306 K\n0.356278 0.712556 0.434694 K\n0.350397 0.700793 0.919142 Pr\n0.649603 0.299206 0.080858 Pr\n0.993717 0.987433 0.231580 Pd\n0.006283 0.012566 0.768421 Pd\n0.167466 0.334932 0.863077 O\n0.152138 0.304277 0.285849 O\n0.506449 0.012898 0.804061 O\n0.847861 0.695723 0.714151 O\n0.832534 0.665068 0.136923 O\n0.493550 0.987102 0.195940 O\n",
"nsites": 12,
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"elements": [
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"Pd",
"O"
],
"chemical_system": "K-O-Pd-Pr",
"density": 5.814348877245955,
"density_atomic": 0.06282111033899343,
"volume": 191.0185912863678,
"volume_molar": 9.586173704195136,
"formula_full": "K2 Pr2 Pd2 O6",
"formula_reduced": "KPrPdO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4302656749999998,
"spacegroup": 12
},
{
"id": "jvasp-39140",
"created_at": "2022-09-04T14:38:00.555062Z",
"updated_at": "2022-09-04T14:38:00.555083Z",
"structure_string": "K1 Pd1 O3\n1.0\n4.005427 0.000000 0.000000\n0.000000 4.005427 -0.000000\n0.000000 -0.000000 4.006322\nK Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"density_atomic": 0.07779049059358094,
"volume": 64.27520847146562,
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"formula_full": "K1 Pd1 O3",
"formula_reduced": "KPdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5789808399999998,
"spacegroup": 221
},
{
"id": "jvasp-85968",
"created_at": "2022-09-04T14:36:14.881240Z",
"updated_at": "2022-09-04T14:36:14.881258Z",
"structure_string": "K6 Pd4 O8\n1.0\n5.510714 -0.004366 -0.000000\n-2.079877 5.103146 0.000000\n0.000000 0.000000 11.411484\nK Pd O\n6 4 8\ndirect\n0.353082 0.646918 0.568407 K\n0.646917 0.353082 0.068407 K\n0.283635 0.716365 0.250000 K\n0.646917 0.353082 0.431593 K\n0.716364 0.283635 0.750000 K\n0.353082 0.646918 0.931593 K\n0.000000 0.000000 0.500000 Pd\n0.922293 0.077705 0.250000 Pd\n0.077705 0.922295 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.130286 0.296831 0.115197 O\n0.130286 0.296831 0.384803 O\n0.703168 0.869714 0.384803 O\n0.296831 0.130286 0.615196 O\n0.703168 0.869714 0.115197 O\n0.869712 0.703169 0.615196 O\n0.296831 0.130286 0.884803 O\n0.869712 0.703169 0.884803 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "K-O-Pd",
"density": 4.080126315434106,
"density_atomic": 0.05610799794169228,
"volume": 320.8098784545065,
"volume_molar": 10.73312358473072,
"formula_full": "K6 Pd4 O8",
"formula_reduced": "K3(PdO2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 63
},
{
"id": "jvasp-86567",
"created_at": "2022-09-04T14:36:09.023007Z",
"updated_at": "2022-09-04T14:36:09.023029Z",
"structure_string": "K6 Pd4 O8\n1.0\n5.510877 -0.004765 0.000000\n-2.080308 5.103147 -0.000000\n0.000000 -0.000000 11.411202\nK Pd O\n6 4 8\ndirect\n0.353077 0.646924 0.568424 K\n0.646924 0.353077 0.068425 K\n0.283624 0.716377 0.250000 K\n0.646924 0.353077 0.431575 K\n0.716377 0.283625 0.750000 K\n0.353077 0.646924 0.931575 K\n0.000000 0.000000 0.500000 Pd\n0.922304 0.077698 0.250000 Pd\n0.077697 0.922304 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.130296 0.296853 0.115191 O\n0.130296 0.296853 0.384809 O\n0.703148 0.869706 0.384809 O\n0.296853 0.130296 0.615191 O\n0.703148 0.869706 0.115191 O\n0.869705 0.703149 0.615191 O\n0.296853 0.130296 0.884809 O\n0.869705 0.703149 0.884809 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "K-O-Pd",
"density": 4.080226362194493,
"density_atomic": 0.05610937373817305,
"volume": 320.80201222695183,
"volume_molar": 10.732860409566364,
"formula_full": "K6 Pd4 O8",
"formula_reduced": "K3(PdO2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 63
},
{
"id": "jvasp-27144",
"created_at": "2022-09-04T14:38:32.595342Z",
"updated_at": "2022-09-04T14:38:32.595356Z",
"structure_string": "K2 Pd1 O2\n1.0\n3.031433 -0.000000 0.902663\n1.029442 4.938246 2.084399\n0.024886 0.011159 5.458022\nK Pd O\n2 1 2\ndirect\n0.176411 0.323589 0.323588 K\n0.823588 0.676412 0.676411 K\n0.000000 0.000000 0.000000 Pd\n0.500000 0.221475 0.778524 O\n0.499999 0.778526 0.221475 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.411565228564033,
"density_atomic": 0.0613231256584601,
"volume": 81.5353090096477,
"volume_molar": 9.820342155323894,
"formula_full": "K2 Pd1 O2",
"formula_reduced": "K2PdO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7383557399999996,
"spacegroup": 71
},
{
"id": "jvasp-22560",
"created_at": "2022-09-04T14:36:00.805346Z",
"updated_at": "2022-09-04T14:36:00.805371Z",
"structure_string": "K2 Pd1 O2\n1.0\n3.031452 -0.000000 0.902668\n1.029209 4.938351 2.085213\n0.024788 0.011926 5.458382\nK Pd O\n2 1 2\ndirect\n0.176386 0.323615 0.323614 K\n0.823614 0.676386 0.676385 K\n0.000000 0.000000 0.000000 Pd\n0.500000 0.221495 0.778505 O\n0.500000 0.778506 0.221494 O\n",
"nsites": 5,
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"volume": 81.53921555828869,
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"formula_full": "K2 Pd1 O2",
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},
{
"id": "jvasp-116797",
"created_at": "2022-09-04T14:38:45.701427Z",
"updated_at": "2022-09-04T14:38:45.701456Z",
"structure_string": "K4 V4 Pb4 O16\n1.0\n5.788195 -0.000000 0.000000\n0.000000 7.690878 0.000000\n-0.000000 -0.000000 10.102398\nK V Pb O\n4 4 4 16\ndirect\n0.250000 0.177323 0.906782 K\n0.749999 0.822677 0.093218 K\n0.250000 0.677324 0.593218 K\n0.749999 0.322677 0.406782 K\n0.749999 0.252864 0.077840 V\n0.250000 0.747137 0.922160 V\n0.749999 0.752864 0.422160 V\n0.250000 0.247137 0.577840 V\n0.250000 0.005467 0.289101 Pb\n0.749999 0.994533 0.710899 Pb\n0.250000 0.505467 0.210899 Pb\n0.749999 0.494533 0.789101 Pb\n0.505036 0.159750 0.146101 O\n0.005036 0.840250 0.853899 O\n0.005036 0.340250 0.646101 O\n0.505036 0.659750 0.353899 O\n0.494963 0.840250 0.853899 O\n0.994963 0.159750 0.146101 O\n0.250000 0.284638 0.405938 O\n0.749999 0.471715 0.105572 O\n0.250000 0.784638 0.094062 O\n0.749999 0.215362 0.905938 O\n0.749999 0.971715 0.394428 O\n0.250000 0.028285 0.605572 O\n0.494963 0.340250 0.646101 O\n0.250000 0.528285 0.894428 O\n0.749999 0.715362 0.594062 O\n0.994963 0.659750 0.353899 O\n",
"nsites": 28,
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"elements": [
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"V",
"Pb",
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],
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"density": 5.335292651997351,
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"formula_full": "K4 V4 Pb4 O16",
"formula_reduced": "KVPbO4",
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{
"id": "jvasp-85658",
"created_at": "2022-09-04T14:36:10.065601Z",
"updated_at": "2022-09-04T14:36:10.065628Z",
"structure_string": "K2 Si2 Pb2 O1\n1.0\n5.518207 -0.003523 0.000000\n-2.762154 4.784192 0.000000\n0.000000 0.000000 6.744893\nK Si Pb O\n2 2 2 1\ndirect\n0.666476 0.333238 0.500000 K\n0.333525 0.666762 0.500000 K\n0.000000 0.000000 0.764672 Si\n0.000000 0.000000 0.235327 Si\n0.666350 0.333176 0.000000 Pb\n0.333651 0.666825 0.000000 Pb\n0.000000 0.000000 0.500000 O\n",
"nsites": 7,
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"density": 5.268619890059996,
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"volume": 178.00063139795097,
"volume_molar": 15.313497966390518,
"formula_full": "K2 Si2 Pb2 O1",
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"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.155749762857143,
"spacegroup": 191
},
{
"id": "jvasp-85764",
"created_at": "2022-09-04T14:36:19.637660Z",
"updated_at": "2022-09-04T14:36:19.637687Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n6.384573 0.708636 8.477214\n3.339263 5.487647 8.477214\n1.112064 0.708636 10.554110\nK Pb S O\n2 1 2 8\ndirect\n0.726219 0.726223 0.726220 K\n0.273779 0.273780 0.273779 K\n0.499999 0.500001 0.500000 Pb\n0.592773 0.592777 0.592775 S\n0.407224 0.407226 0.407225 S\n0.715961 0.715964 0.289979 O\n0.284036 0.710021 0.284037 O\n0.715961 0.289981 0.715962 O\n0.710019 0.284039 0.284037 O\n0.284036 0.284039 0.710020 O\n0.359329 0.359331 0.359330 O\n0.289978 0.715964 0.715962 O\n0.640668 0.640672 0.640670 O\n",
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"density": 2.817294720623324,
"density_atomic": 0.04618844414772304,
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"volume_molar": 13.038197911017697,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-12359",
"created_at": "2022-09-04T14:37:45.294988Z",
"updated_at": "2022-09-04T14:37:45.295011Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n5.169288 0.023946 5.586138\n2.204003 4.675948 5.586138\n0.037567 0.023946 7.610852\nK Pb S O\n2 1 2 8\ndirect\n0.798793 0.798796 0.798793 K\n0.201206 0.201207 0.201206 K\n0.000000 0.000000 0.000000 Pb\n0.597489 0.597491 0.597489 S\n0.402510 0.402511 0.402510 S\n0.719951 0.719953 0.278890 O\n0.719951 0.278892 0.719951 O\n0.278890 0.719953 0.719951 O\n0.721109 0.280050 0.280048 O\n0.280048 0.280050 0.721109 O\n0.331234 0.331235 0.331234 O\n0.668765 0.668767 0.668765 O\n0.280048 0.721110 0.280049 O\n",
"nsites": 13,
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"elements": [
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],
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"density_atomic": 0.07135416763872834,
"volume": 182.18977853991657,
"volume_molar": 8.439788395389268,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
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}
]
}