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{
"id": "jvasp-37942",
"created_at": "2022-09-04T14:38:09.887129Z",
"updated_at": "2022-09-04T14:38:09.887151Z",
"structure_string": "Ba2 Pd2 O5\n1.0\n4.067015 -0.000000 0.000000\n0.000000 4.067015 -0.000000\n0.000000 0.000000 8.391484\nBa Pd O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500001 0.500001 0.251346 Pd\n0.500001 0.500001 0.748654 Pd\n0.500001 0.000000 0.219863 O\n0.500001 0.000000 0.780136 O\n0.500001 0.500001 0.500000 O\n0.000000 0.500001 0.219863 O\n0.000000 0.500001 0.780136 O\n",
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{
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{
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"structure_string": "Ba2 Pb1 Se1\n1.0\n0.000000 4.170866 4.170866\n4.170866 -0.000000 4.170866\n4.170866 4.170866 0.000000\nBa Pb Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Pb\n0.500001 0.500001 0.500001 Se\n",
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{
"id": "jvasp-69242",
"created_at": "2022-09-04T14:35:44.235763Z",
"updated_at": "2022-09-04T14:35:44.235780Z",
"structure_string": "Ba2 Pb1 Cl1\n1.0\n-0.000000 4.189987 4.189987\n4.189987 0.000000 4.189987\n4.189987 4.189987 -0.000000\nBa Pb Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"spacegroup": 225
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{
"id": "jvasp-69111",
"created_at": "2022-09-04T14:36:12.474186Z",
"updated_at": "2022-09-04T14:36:12.474206Z",
"structure_string": "Ba2 Pb1 Br1\n1.0\n-0.000000 4.240894 4.240894\n4.240894 -0.000000 4.240894\n4.240894 4.240894 -0.000000\nBa Pb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-12369",
"created_at": "2022-09-04T14:38:35.978164Z",
"updated_at": "2022-09-04T14:38:35.978185Z",
"structure_string": "Ba8 Pb4\n1.0\n5.743665 0.000000 0.000000\n0.000000 8.621486 0.000000\n0.000000 0.000000 10.724273\nBa Pb\n8 4\ndirect\n0.250000 0.518667 0.183979 Ba\n0.749999 0.481333 0.816020 Ba\n0.250000 0.018667 0.316020 Ba\n0.749999 0.981334 0.683979 Ba\n0.749999 0.839006 0.080315 Ba\n0.250000 0.160995 0.919685 Ba\n0.749999 0.339005 0.419685 Ba\n0.250000 0.660995 0.580314 Ba\n0.250000 0.745275 0.899581 Pb\n0.749999 0.254725 0.100419 Pb\n0.250000 0.245275 0.600419 Pb\n0.749999 0.754725 0.399581 Pb\n",
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{
"id": "jvasp-113741",
"created_at": "2022-09-04T14:38:49.680007Z",
"updated_at": "2022-09-04T14:38:49.680021Z",
"structure_string": "Ba2 P1 Au1\n1.0\n2.350748 1.357205 7.683865\n-2.350748 1.357205 7.683865\n-0.000000 -2.714410 7.683865\nBa P Au\n2 1 1\ndirect\n0.740189 0.740189 0.740192 Ba\n0.259809 0.259809 0.259810 Ba\n0.000000 0.000000 0.000000 P\n0.499999 0.499999 0.500001 Au\n",
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},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
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"elements": [
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"density": 3.401677288989236,
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"volume": 514.4384413196983,
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"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
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{
"id": "jvasp-98352",
"created_at": "2022-09-04T14:36:14.344061Z",
"updated_at": "2022-09-04T14:36:14.344078Z",
"structure_string": "Ba8 P8 O28\n1.0\n9.354704 -0.000000 0.000000\n0.000000 5.640821 0.000000\n0.000000 0.000000 13.869698\nBa P O\n8 8 28\ndirect\n0.363884 0.250000 0.083124 Ba\n0.863884 0.250000 0.416876 Ba\n0.636115 0.750000 0.916876 Ba\n0.136116 0.750000 0.583124 Ba\n0.340778 0.250000 0.754247 Ba\n0.840778 0.250000 0.745753 Ba\n0.659221 0.750000 0.245753 Ba\n0.159222 0.750000 0.254247 Ba\n0.545459 0.750000 0.683368 P\n0.454541 0.250000 0.316632 P\n0.954541 0.250000 0.183368 P\n0.045459 0.750000 0.816632 P\n0.280895 0.750000 0.957863 P\n0.219105 0.250000 0.457863 P\n0.719105 0.250000 0.042137 P\n0.780894 0.750000 0.542137 P\n0.614810 0.750000 0.575162 O\n0.904873 0.025021 0.235879 O\n0.404874 0.474979 0.264121 O\n0.095126 0.525021 0.764121 O\n0.595126 0.974979 0.735879 O\n0.595126 0.525021 0.735879 O\n0.904873 0.474979 0.235879 O\n0.404874 0.025021 0.264121 O\n0.115662 0.250000 0.167334 O\n0.615662 0.250000 0.332666 O\n0.114810 0.750000 0.924838 O\n0.095126 0.974979 0.764121 O\n0.385190 0.250000 0.424838 O\n0.854663 0.526081 0.581214 O\n0.777112 0.750000 0.431554 O\n0.277112 0.750000 0.068446 O\n0.222888 0.250000 0.568446 O\n0.722887 0.250000 0.931554 O\n0.145337 0.026081 0.418787 O\n0.645337 0.473919 0.081214 O\n0.884338 0.750000 0.832666 O\n0.354663 0.973919 0.918787 O\n0.854663 0.973919 0.581214 O\n0.354663 0.526081 0.918787 O\n0.145337 0.473919 0.418787 O\n0.645337 0.026081 0.081214 O\n0.885190 0.250000 0.075162 O\n0.384338 0.750000 0.667334 O\n",
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{
"id": "jvasp-107878",
"created_at": "2022-09-04T14:35:47.409686Z",
"updated_at": "2022-09-04T14:35:47.409718Z",
"structure_string": "Ba2 Os1 O4\n1.0\n3.856733 -0.005062 -6.288680\n-0.311479 3.844138 -6.288680\n0.004675 0.005062 7.377118\nBa Os O\n2 1 4\ndirect\n0.647018 0.647019 0.000000 Ba\n0.352981 0.352982 0.000000 Ba\n0.000000 0.000000 0.000000 Os\n0.844757 0.844759 0.000000 O\n0.155242 0.155243 0.000000 O\n0.499999 -0.000000 0.499999 O\n-0.000001 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:44.293634Z",
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"structure_string": "Ba2 O1\n1.0\n6.542760 0.285684 -1.111964\n0.159860 -4.318705 -0.169351\n-0.732836 0.140087 -4.260001\nBa O\n2 1\ndirect\n0.746528 0.041331 0.563524 Ba\n0.164613 0.541323 0.063775 Ba\n0.955586 0.041330 0.063673 O\n",
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{
"id": "jvasp-115599",
"created_at": "2022-09-04T14:38:46.892129Z",
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"structure_string": "Ba2 O1\n1.0\n3.717952 0.000000 0.000000\n0.000000 4.221432 0.000000\n0.000000 0.000000 7.714601\nBa O\n2 1\ndirect\n-0.033339 0.000000 0.768979 Ba\n-0.033339 0.000000 0.231021 Ba\n0.466677 0.000000 0.000000 O\n",
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