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{
"id": "jvasp-39389",
"created_at": "2022-09-04T14:37:50.371540Z",
"updated_at": "2022-09-04T14:37:50.371569Z",
"structure_string": "Li1 Cd3\n1.0\n-0.000000 3.432752 3.432752\n3.432752 0.000000 3.432752\n3.432752 3.432752 0.000000\nLi Cd\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.250001 0.250001 0.250001 Cd\n",
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{
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"updated_at": "2022-09-04T14:37:49.202005Z",
"structure_string": "Li1 Zn2 Ni1\n1.0\n0.000000 2.934479 2.934479\n2.934479 -0.000000 2.934479\n2.934479 2.934479 -0.000000\nLi Zn Ni\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.750001 0.750001 Ni\n",
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{
"id": "jvasp-38500",
"created_at": "2022-09-04T14:37:51.276199Z",
"updated_at": "2022-09-04T14:37:51.276226Z",
"structure_string": "Pr1 Dy1 Zn2\n1.0\n-0.000000 3.626056 3.626056\n3.626056 0.000000 3.626056\n3.626056 3.626056 0.000000\nPr Dy Zn\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Pr\n0.250001 0.250001 0.250001 Dy\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
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"density": 7.561902176418169,
"density_atomic": 0.04194946966903297,
"volume": 95.35281450656319,
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"formula_full": "Pr1 Dy1 Zn2",
"formula_reduced": "PrDyZn2",
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},
{
"id": "jvasp-107872",
"created_at": "2022-09-04T14:37:49.644308Z",
"updated_at": "2022-09-04T14:37:49.644327Z",
"structure_string": "Rb2 Li1 Ce1 Br6\n1.0\n6.797906 -0.000000 3.924773\n2.265969 6.409127 3.924773\n-0.000000 -0.000000 7.849545\nRb Li Ce Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.740951 0.259050 0.259049 Br\n0.259050 0.259050 0.740951 Br\n0.259050 0.740951 0.740950 Br\n0.259050 0.740951 0.259049 Br\n0.740951 0.259050 0.740950 Br\n0.740951 0.740951 0.259049 Br\n",
"nsites": 10,
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"elements": [
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"Li",
"Ce",
"Br"
],
"chemical_system": "Br-Ce-Li-Rb",
"density": 3.8718261953145516,
"density_atomic": 0.029240277107972456,
"volume": 341.9940229387726,
"volume_molar": 20.595361452159576,
"formula_full": "Rb2 Li1 Ce1 Br6",
"formula_reduced": "Rb2LiCeBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-20278",
"created_at": "2022-09-04T14:37:35.812532Z",
"updated_at": "2022-09-04T14:37:35.812556Z",
"structure_string": "Ho1 Tl3\n1.0\n4.737223 0.000000 0.000000\n0.000000 4.737223 0.000000\n0.000000 -0.000000 4.737223\nHo Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ho1 Tl3",
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},
{
"id": "jvasp-41724",
"created_at": "2022-09-04T14:37:32.539649Z",
"updated_at": "2022-09-04T14:37:32.539674Z",
"structure_string": "Ac1 Zn1 Au2\n1.0\n0.000000 3.649681 3.649681\n3.649681 0.000000 3.649681\n3.649681 3.649681 0.000000\nAc Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 11.721819919161188,
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{
"id": "jvasp-16493",
"created_at": "2022-09-04T14:37:56.688534Z",
"updated_at": "2022-09-04T14:37:56.688561Z",
"structure_string": "Pr1 O1\n1.0\n3.119389 -0.000000 1.800981\n1.039797 2.940989 1.800981\n-0.000000 -0.000000 3.601961\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.499999 O\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.884780578745662,
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"volume": 33.04470983660635,
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"formula_full": "Pr1 O1",
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},
{
"id": "jvasp-40257",
"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
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"density_atomic": 0.042508406577114924,
"volume": 94.09903409913896,
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"formula_full": "Ca1 Mg1 Hg2",
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"spacegroup": 225
},
{
"id": "jvasp-38253",
"created_at": "2022-09-04T14:37:51.014508Z",
"updated_at": "2022-09-04T14:37:51.014541Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.669498 3.669498 5.213275\n3.669498 -3.669498 5.213275\n3.669498 3.669498 -5.213275\nRb Ca\n3 1\ndirect\n0.749999 0.250000 0.499999 Rb\n0.250000 0.749999 0.499999 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"density": 1.7533257605235164,
"density_atomic": 0.014245446131400559,
"volume": 280.79148684455663,
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},
{
"id": "jvasp-39085",
"created_at": "2022-09-04T14:37:50.679207Z",
"updated_at": "2022-09-04T14:37:50.679229Z",
"structure_string": "Sm1 Br1\n1.0\n1.823667 -3.158685 0.000000\n1.823667 3.158685 -0.000000\n0.000000 0.000000 4.574818\nSm Br\n1 1\ndirect\n0.333334 0.666668 0.000000 Sm\n0.666668 0.333334 0.500000 Br\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.25470016411179,
"density_atomic": 0.037946726865662216,
"volume": 52.705468038925616,
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"formula_full": "Sm1 Br1",
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"spacegroup": 187
},
{
"id": "jvasp-40855",
"created_at": "2022-09-04T14:37:32.098741Z",
"updated_at": "2022-09-04T14:37:32.098776Z",
"structure_string": "Na1 Pm1 Hg2\n1.0\n-0.000000 3.691768 3.691768\n3.691768 -0.000000 3.691768\n3.691768 3.691768 -0.000000\nNa Pm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"density": 9.39199220977168,
"density_atomic": 0.039749053569842756,
"volume": 100.63132680559629,
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"formula_full": "Na1 Pm1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-21013",
"created_at": "2022-09-04T14:37:43.545455Z",
"updated_at": "2022-09-04T14:37:43.545491Z",
"structure_string": "K4 Te4 F20\n1.0\n4.665242 -0.000000 0.000000\n0.000000 9.009526 0.000000\n0.000000 0.000000 11.413410\nK Te F\n4 4 20\ndirect\n0.465025 0.250000 0.000000 K\n0.534975 0.750000 0.500000 K\n0.534975 0.750000 0.000000 K\n0.465025 0.250000 0.500000 K\n0.104921 0.052514 0.250000 Te\n0.104921 0.447486 0.750000 Te\n0.895078 0.552514 0.250000 Te\n0.895078 0.947486 0.750000 Te\n0.616214 0.015193 0.627235 F\n0.616214 0.015193 0.872765 F\n0.616214 0.484808 0.127235 F\n0.941513 0.317343 0.876441 F\n0.383785 0.984808 0.372765 F\n0.941513 0.182657 0.123559 F\n0.616214 0.484808 0.372765 F\n0.383785 0.515193 0.627235 F\n0.383785 0.515193 0.872765 F\n0.941513 0.317343 0.623559 F\n0.058487 0.817343 0.876441 F\n0.058487 0.682657 0.123559 F\n0.058487 0.682657 0.376441 F\n0.941513 0.182657 0.376441 F\n0.371372 0.216012 0.250000 F\n0.371372 0.283988 0.750000 F\n0.628628 0.716012 0.250000 F\n0.628628 0.783988 0.750000 F\n0.383785 0.984808 0.127235 F\n0.058487 0.817343 0.623559 F\n",
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