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{
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{
"id": "jvasp-94858",
"created_at": "2022-09-04T14:36:34.054540Z",
"updated_at": "2022-09-04T14:36:34.054564Z",
"structure_string": "Hg1 Pd5 Se1\n1.0\n4.066825 0.000000 -0.000000\n-0.000000 4.066825 0.000000\n-0.000000 -0.000000 7.204922\nHg Pd Se\n1 5 1\ndirect\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.000000 0.715218 Pd\n0.000000 0.500001 0.715218 Pd\n0.500001 0.000000 0.284781 Pd\n0.000000 0.500001 0.284781 Pd\n0.000000 0.000000 0.500000 Se\n",
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{
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"created_at": "2022-09-04T14:37:42.867375Z",
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"structure_string": "Hg1 P1 Pd5\n1.0\n3.982279 -0.000000 -0.000000\n-0.000000 3.982279 -0.000000\n0.000000 0.000000 7.098961\nHg P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.302040 Pd\n0.000000 0.500000 0.697960 Pd\n0.500000 0.000000 0.302040 Pd\n0.500000 0.000000 0.697960 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-35536",
"created_at": "2022-09-04T14:37:47.339114Z",
"updated_at": "2022-09-04T14:37:47.339134Z",
"structure_string": "Hg1 P1 Pt5\n1.0\n3.977159 -0.000000 -0.000000\n0.000000 3.977159 0.000000\n0.000000 0.000000 7.259133\nHg P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.301952 Pt\n0.000000 0.500000 0.698048 Pt\n0.500000 0.000000 0.301952 Pt\n0.500000 0.000000 0.698048 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
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"density_atomic": 0.060963147191215115,
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"formula_full": "Hg1 P1 Pt5",
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"spacegroup": 123
},
{
"id": "jvasp-51108",
"created_at": "2022-09-04T14:36:34.732137Z",
"updated_at": "2022-09-04T14:36:34.732164Z",
"structure_string": "Hg1 P1 Rh1\n1.0\n-0.000000 3.121134 3.121134\n3.121134 0.000000 3.121134\n3.121134 3.121134 -0.000000\nHg P Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 P\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Hg-P-Rh",
"density": 9.133517593616888,
"density_atomic": 0.049334873051836994,
"volume": 60.80891293361287,
"volume_molar": 12.206661104960043,
"formula_full": "Hg1 P1 Rh1",
"formula_reduced": "HgPRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-5311",
"created_at": "2022-09-04T14:37:10.096590Z",
"updated_at": "2022-09-04T14:37:10.096610Z",
"structure_string": "Hg2 P2 S6\n1.0\n6.348621 -0.007945 0.072711\n-3.085686 5.497432 -0.058377\n-2.092786 -1.989243 6.581709\nHg P S\n2 2 6\ndirect\n0.115163 0.743706 0.333294 Hg\n0.884835 0.256293 0.666706 Hg\n0.546327 0.563992 0.670387 P\n0.453671 0.436007 0.329612 P\n0.505769 0.140890 0.280743 S\n0.494229 0.859109 0.719256 S\n0.076335 0.326181 0.185709 S\n0.923663 0.673818 0.814290 S\n0.293513 0.253689 0.738421 S\n0.706484 0.746310 0.261578 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Hg-P-S",
"density": 4.730765462016254,
"density_atomic": 0.04346082977432899,
"volume": 230.09224747721453,
"volume_molar": 13.85647902092541,
"formula_full": "Hg2 P2 S6",
"formula_reduced": "HgPS3",
"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-12161",
"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
"nsites": 20,
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"elements": [
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"P",
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"chemical_system": "Hg-P-Se",
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"density_atomic": 0.03820020480709226,
"volume": 523.5574024013293,
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"formula_full": "Hg4 P4 Se12",
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"spacegroup": 15
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{
"id": "jvasp-18913",
"created_at": "2022-09-04T14:35:43.239717Z",
"updated_at": "2022-09-04T14:35:43.239745Z",
"structure_string": "Hg2 Pt2\n1.0\n3.974251 0.000000 -0.000000\n-0.000000 4.277569 0.000000\n0.000000 0.000000 4.277569\nHg Pt\n2 2\ndirect\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Pt",
"density": 18.070379231679976,
"density_atomic": 0.055006074373026355,
"volume": 72.7192413854842,
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"formula_full": "Hg2 Pt2",
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{
"id": "jvasp-36129",
"created_at": "2022-09-04T14:37:10.381960Z",
"updated_at": "2022-09-04T14:37:10.381988Z",
"structure_string": "Hg1 Pt3\n1.0\n4.071381 -0.000000 -0.000000\n-0.000000 4.071381 0.000000\n0.000000 0.000000 4.071381\nHg Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"formula_full": "Hg1 Pt3",
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"spacegroup": 221
},
{
"id": "jvasp-79600",
"created_at": "2022-09-04T14:37:17.662805Z",
"updated_at": "2022-09-04T14:37:17.662831Z",
"structure_string": "Hg1 Pt3\n1.0\n0.000000 0.000000 2.880724\n3.956633 2.954224 0.000000\n-3.956633 2.954224 0.000000\nHg Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.499999 0.499999 Pt\n0.499999 0.499999 -0.000000 Pt\n0.499999 -0.000000 0.499999 Pt\n",
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"spacegroup": 65
},
{
"id": "jvasp-49841",
"created_at": "2022-09-04T14:36:04.562767Z",
"updated_at": "2022-09-04T14:36:04.562799Z",
"structure_string": "Hg1 Pt1 O2\n1.0\n3.188372 -0.000000 -0.000000\n-1.594186 0.920404 7.577664\n1.594186 -2.761212 -0.000000\nHg Pt O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.500000 Pt\n0.125217 0.375651 0.125218 O\n0.874782 0.624348 0.874782 O\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-109909",
"created_at": "2022-09-04T14:38:11.770351Z",
"updated_at": "2022-09-04T14:38:11.770371Z",
"structure_string": "Hg1 Pt1 O2\n1.0\n3.183365 -0.020604 -0.242052\n1.591225 2.757216 -0.242052\n-0.616678 -0.353456 7.573776\nHg Pt O\n1 1 2\ndirect\n0.499998 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n0.634665 0.634669 0.873302 O\n0.365330 0.365333 0.126699 O\n",
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{
"id": "jvasp-17304",
"created_at": "2022-09-04T14:38:18.714955Z",
"updated_at": "2022-09-04T14:38:18.714973Z",
"structure_string": "Hg1 Rh1 F6\n1.0\n4.595630 0.003280 3.428684\n1.721557 4.260993 3.428684\n0.004858 0.003280 5.733730\nHg Rh F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Rh\n0.399035 0.040870 0.789620 F\n0.040871 0.789620 0.399034 F\n0.210381 0.600965 0.959129 F\n0.959131 0.210380 0.600964 F\n0.600967 0.959130 0.210379 F\n0.789621 0.399034 0.040869 F\n",
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