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{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
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{
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"structure_string": "Ba4 Co1 Sb1\n1.0\n-0.000000 4.874481 4.874481\n4.874481 -0.000000 4.874481\n4.874481 4.874481 0.000000\nBa Co Sb\n4 1 1\ndirect\n0.124371 0.625209 0.625209 Ba\n0.625209 0.625209 0.625209 Ba\n0.625209 0.124371 0.625209 Ba\n0.625209 0.625209 0.124371 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-95386",
"created_at": "2022-09-04T14:35:42.114665Z",
"updated_at": "2022-09-04T14:35:42.114704Z",
"structure_string": "Rb12 Te4 O18\n1.0\n8.108549 -0.025343 -3.295481\n-1.816034 7.902609 -3.295481\n0.006766 0.008470 11.064184\nRb Te O\n12 4 18\ndirect\n0.704518 0.000686 0.969632 Rb\n0.299692 0.500990 0.024325 Rb\n0.499011 0.700309 0.475676 Rb\n0.905859 0.683529 0.763873 Rb\n0.316472 0.094142 0.736127 Rb\n0.094142 0.316471 0.236127 Rb\n0.683530 0.905858 0.263873 Rb\n-0.000686 0.295483 0.530368 Rb\n0.700309 0.499011 0.975676 Rb\n0.000687 0.704517 0.469632 Rb\n0.295483 -0.000686 0.030368 Rb\n0.500990 0.299692 0.524325 Rb\n0.854102 0.145899 0.750000 Te\n0.374254 0.625747 0.750000 Te\n0.625747 0.374253 0.250000 Te\n0.145899 0.854101 0.250000 Te\n0.776752 0.223248 0.250000 O\n0.371180 0.908502 0.286947 O\n0.261482 0.519092 0.539182 O\n0.519092 0.261482 0.039182 O\n0.738519 0.480909 0.460819 O\n0.331894 0.413344 0.755808 O\n0.586657 0.668107 0.744193 O\n0.668108 0.586657 0.244193 O\n0.413344 0.331893 0.255808 O\n0.114300 0.989492 0.409450 O\n0.010509 0.885701 0.090550 O\n0.885702 0.010509 0.590550 O\n0.989492 0.114299 0.909450 O\n0.908502 0.371180 0.786947 O\n0.628821 0.091499 0.713053 O\n0.091499 0.628821 0.213054 O\n0.480909 0.738519 0.960819 O\n0.223249 0.776752 0.750000 O\n",
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"elements": [
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],
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"density": 4.272435539473403,
"density_atomic": 0.04796007327024456,
"volume": 708.9230203719125,
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"formula_full": "Rb12 Te4 O18",
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"formula_anonymous": "A2B6C9",
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"spacegroup": 15
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{
"id": "jvasp-64090",
"created_at": "2022-09-04T14:35:42.117437Z",
"updated_at": "2022-09-04T14:35:42.117459Z",
"structure_string": "Ba4 Mn1 W1\n1.0\n0.000000 4.804736 4.804736\n4.804736 -0.000000 4.804736\n4.804736 4.804736 -0.000000\nBa Mn W\n4 1 1\ndirect\n0.124523 0.625160 0.625160 Ba\n0.625160 0.625160 0.625160 Ba\n0.625160 0.124523 0.625160 Ba\n0.625160 0.625160 0.124523 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 W\n",
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"formula_full": "Ba4 Mn1 W1",
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{
"id": "jvasp-95938",
"created_at": "2022-09-04T14:35:42.119437Z",
"updated_at": "2022-09-04T14:35:42.119465Z",
"structure_string": "Sr6 Mg2 Pt2 O12\n1.0\n6.716036 0.007834 -0.260179\n-0.270756 6.710580 -0.260179\n0.007515 0.007834 6.721069\nSr Mg Pt O\n6 2 2 12\ndirect\n0.884043 0.249999 0.615958 Sr\n0.384043 0.115957 0.750000 Sr\n0.750000 0.384042 0.115958 Sr\n0.115958 0.750000 0.384042 Sr\n0.615958 0.884042 0.250000 Sr\n0.250000 0.615957 0.884042 Sr\n0.750001 0.749999 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.499999 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.094989 0.289463 0.964754 O\n0.789464 0.594988 0.464753 O\n0.535247 0.210536 0.405011 O\n0.405011 0.535246 0.210536 O\n0.210536 0.405011 0.535246 O\n0.710537 0.035246 0.905011 O\n0.905011 0.710536 0.035246 O\n0.035246 0.905011 0.710536 O\n0.464754 0.789463 0.594989 O\n0.594989 0.464753 0.789464 O\n0.964754 0.094988 0.289464 O\n0.289464 0.964753 0.094989 O\n",
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"density_atomic": 0.07261922504507197,
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"formula_full": "Sr6 Mg2 Pt2 O12",
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"formula_anonymous": "ABC3D6",
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"spacegroup": 167
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{
"id": "jvasp-67112",
"created_at": "2022-09-04T14:35:42.120339Z",
"updated_at": "2022-09-04T14:35:42.120364Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.961487 0.000000 0.000000\n-0.000000 2.961487 -0.000000\n0.000000 0.000000 4.626757\nMn Be Si\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.771585 Be\n0.000000 0.000000 0.228415 Be\n0.500001 0.500001 0.500000 Si\n",
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"density_atomic": 0.0985742858766904,
"volume": 40.57853388868293,
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"formula_full": "Mn1 Be2 Si1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
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{
"id": "jvasp-87128",
"created_at": "2022-09-04T14:35:42.121048Z",
"updated_at": "2022-09-04T14:35:42.121073Z",
"structure_string": "Co2 O2\n1.0\n2.860301 0.000001 4.312070\n1.300138 2.547737 4.312070\n0.000002 0.000001 5.174483\nCo O\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.599590328984594,
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"volume": 37.707947056271365,
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"formula_full": "Co2 O2",
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"spacegroup": 225
},
{
"id": "jvasp-93446",
"created_at": "2022-09-04T14:35:42.122765Z",
"updated_at": "2022-09-04T14:35:42.122793Z",
"structure_string": "Sr2 Mn2 Sn2\n1.0\n4.694893 0.000000 0.000000\n0.000000 4.694893 0.000000\n0.000000 0.000000 7.465958\nSr Mn Sn\n2 2 2\ndirect\n0.000000 0.500000 0.324107 Sr\n0.500000 0.000000 0.675893 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.798455 Sn\n0.500000 0.000000 0.201545 Sn\n",
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"formula_full": "Sr2 Mn2 Sn2",
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{
"id": "jvasp-67836",
"created_at": "2022-09-04T14:35:42.125312Z",
"updated_at": "2022-09-04T14:35:42.125343Z",
"structure_string": "Li1 Be1 Br1\n1.0\n-1.626401 1.626401 5.718185\n1.626401 -1.626401 5.718185\n1.626401 1.626401 -5.718185\nLi Be Br\n1 1 1\ndirect\n0.626481 0.626481 0.000000 Li\n0.992574 0.992574 0.000000 Be\n0.380948 0.380948 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:35:42.125923Z",
"updated_at": "2022-09-04T14:35:42.125943Z",
"structure_string": "Ba2 La1 Nb1\n1.0\n-0.000000 4.185704 4.185704\n4.185704 -0.000000 4.185704\n4.185704 4.185704 0.000000\nBa La Nb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Nb\n",
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"formula_full": "Ba2 La1 Nb1",
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{
"id": "jvasp-71383",
"created_at": "2022-09-04T14:35:42.133458Z",
"updated_at": "2022-09-04T14:35:42.133486Z",
"structure_string": "Be2 In1 Bi1\n1.0\n3.525145 0.000000 -0.000000\n0.000000 3.525145 0.000000\n-0.000000 -0.000000 6.425786\nBe In Bi\n2 1 1\ndirect\n0.000000 0.000000 0.671200 Be\n0.000000 0.000000 0.328801 Be\n0.499999 0.499999 0.500000 In\n0.499999 0.499999 0.000000 Bi\n",
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{
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"created_at": "2022-09-04T14:35:42.134782Z",
"updated_at": "2022-09-04T14:35:42.134796Z",
"structure_string": "Hg12 P4 O16\n1.0\n7.531562 0.000000 -2.693055\n0.000000 8.203914 0.000000\n-0.121299 0.000000 9.405602\nHg P O\n12 4 16\ndirect\n0.997828 0.221596 0.441478 Hg\n0.593668 0.388277 0.465623 Hg\n0.764395 0.947782 0.619857 Hg\n0.406331 0.611723 0.534377 Hg\n0.264396 0.552218 0.119856 Hg\n0.906331 0.888277 0.034378 Hg\n0.497828 0.278404 0.941478 Hg\n0.235604 0.052218 0.380144 Hg\n0.502171 0.721595 0.058522 Hg\n0.002171 0.778404 0.558522 Hg\n0.093668 0.111723 0.965623 Hg\n0.735604 0.447782 0.880144 Hg\n0.454353 0.938620 0.752570 P\n0.954353 0.561379 0.252571 P\n0.545646 0.061379 0.247430 P\n0.045646 0.438620 0.747430 P\n0.556905 0.062680 0.685191 O\n0.443095 0.937320 0.314809 O\n0.844250 0.468076 0.330527 O\n0.677687 0.161525 0.384662 O\n0.409478 0.184207 0.141596 O\n0.177687 0.338475 0.884661 O\n0.943095 0.562679 0.814809 O\n0.655750 0.968075 0.169474 O\n0.155750 0.531924 0.669474 O\n0.344250 0.031924 0.830526 O\n0.090522 0.684207 0.358404 O\n0.909478 0.315792 0.641596 O\n0.590521 0.815792 0.858405 O\n0.822313 0.661525 0.115339 O\n0.322313 0.838474 0.615339 O\n0.056905 0.437320 0.185191 O\n",
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"formula_full": "Hg12 P4 O16",
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"spacegroup": 14
}
]
}