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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4516",
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"results": [
{
"id": "jvasp-22737",
"created_at": "2022-09-04T14:37:37.982750Z",
"updated_at": "2022-09-04T14:37:37.982769Z",
"structure_string": "Si24 Os16\n1.0\n5.662492 0.000000 0.000000\n0.000000 9.057985 0.000000\n0.000000 0.000000 11.318249\nSi Os\n24 16\ndirect\n0.601913 0.107392 0.370242 Si\n0.554212 0.205986 0.074173 Si\n0.054213 0.294014 0.425827 Si\n0.945787 0.205986 0.925827 Si\n0.445787 0.294014 0.574173 Si\n0.945787 0.705986 0.574173 Si\n0.054213 0.794015 0.074173 Si\n0.554212 0.705986 0.425827 Si\n0.907965 0.563971 0.318488 Si\n0.407965 0.936030 0.181512 Si\n0.592034 0.563971 0.681512 Si\n0.092034 0.936030 0.818488 Si\n0.445787 0.794015 0.925827 Si\n0.592034 0.063971 0.818488 Si\n0.092034 0.436030 0.681512 Si\n0.101913 0.392608 0.129758 Si\n0.898086 0.107392 0.629758 Si\n0.398087 0.892608 0.629758 Si\n0.398087 0.392608 0.870242 Si\n0.101913 0.892608 0.370242 Si\n0.601913 0.607393 0.129758 Si\n0.907965 0.063971 0.181512 Si\n0.407965 0.436030 0.318488 Si\n0.898086 0.607393 0.870242 Si\n0.738996 0.813277 0.755424 Os\n0.761003 0.313277 0.255424 Os\n0.238996 0.686724 0.744576 Os\n0.238996 0.186723 0.755424 Os\n0.738996 0.313277 0.744576 Os\n0.261003 0.186723 0.244576 Os\n0.750000 0.963376 0.000000 Os\n0.250000 0.076176 0.500000 Os\n0.250000 0.036624 0.000000 Os\n0.750000 0.463376 0.500000 Os\n0.750000 0.423824 0.000000 Os\n0.250000 0.576177 0.000000 Os\n0.750000 0.923824 0.500000 Os\n0.261003 0.686724 0.255424 Os\n0.250000 0.536625 0.500000 Os\n0.761003 0.813277 0.244576 Os\n",
"nsites": 40,
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"elements": [
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"formula_full": "Si24 Os16",
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"spacegroup": 60
},
{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
"volume": 580.6057503630632,
"volume_molar": 15.202128498920814,
"formula_full": "Ag2 Hg7 P8 Br6",
"formula_reduced": "Ag2Hg7(P4Br3)2",
"formula_anonymous": "A2B6C7D8",
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"spacegroup": 12
},
{
"id": "jvasp-96069",
"created_at": "2022-09-04T14:35:56.048133Z",
"updated_at": "2022-09-04T14:35:56.048157Z",
"structure_string": "Ba4 Pt8 S12\n1.0\n6.830992 0.000000 0.000000\n0.000000 6.830992 0.000000\n0.000000 0.000000 12.443571\nBa Pt S\n4 8 12\ndirect\n0.325283 0.325283 0.500000 Ba\n0.825283 0.174717 0.250000 Ba\n0.174717 0.825283 0.750000 Ba\n0.674717 0.674717 0.000000 Ba\n0.250215 0.992612 0.124744 Pt\n0.492612 0.249785 0.874744 Pt\n0.750215 0.507388 0.625256 Pt\n0.249785 0.492612 0.125256 Pt\n0.007388 0.749785 0.375256 Pt\n0.992612 0.250215 0.875256 Pt\n0.749785 0.007388 0.624744 Pt\n0.507388 0.750215 0.374744 Pt\n0.257132 0.840068 0.496467 S\n0.743517 0.256483 0.750000 S\n0.756483 0.756483 0.500000 S\n0.243517 0.243517 0.000000 S\n0.757132 0.659932 0.253533 S\n0.242868 0.340068 0.753533 S\n0.659932 0.757132 0.746467 S\n0.340068 0.242868 0.246467 S\n0.840068 0.257132 0.503533 S\n0.742868 0.159932 0.996467 S\n0.256483 0.743517 0.250000 S\n0.159932 0.742868 0.003533 S\n",
"nsites": 24,
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"elements": [
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"Pt",
"S"
],
"chemical_system": "Ba-Pt-S",
"density": 7.134528645952261,
"density_atomic": 0.04133316465906898,
"volume": 580.6475308135914,
"volume_molar": 14.56975484377452,
"formula_full": "Ba4 Pt8 S12",
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
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"elements": [
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"Si",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se-Si",
"density": 5.417142764406202,
"density_atomic": 0.03788471045690516,
"volume": 580.7092025957429,
"volume_molar": 15.895966175722368,
"formula_full": "In4 Si2 Ag4 Se12",
"formula_reduced": "In2Si(AgSe3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 9
},
{
"id": "jvasp-56496",
"created_at": "2022-09-04T14:37:44.439762Z",
"updated_at": "2022-09-04T14:37:44.439772Z",
"structure_string": "Ho16 Cd4 Co4\n1.0\n8.110459 0.000000 4.682575\n2.703486 7.646614 4.682575\n0.000000 0.000000 9.365150\nHo Cd Co\n16 4 4\ndirect\n0.062296 0.437704 0.437704 Ho\n0.039784 0.653405 0.653405 Ho\n0.811700 0.188300 0.811699 Ho\n0.437704 0.062296 0.062295 Ho\n0.188301 0.811699 0.188300 Ho\n0.653406 0.653405 0.039782 Ho\n0.811700 0.188300 0.188300 Ho\n0.811700 0.811699 0.188299 Ho\n0.653406 0.653405 0.653404 Ho\n0.437705 0.437704 0.062295 Ho\n0.653405 0.039783 0.653405 Ho\n0.188301 0.811699 0.811699 Ho\n0.062296 0.437704 0.062295 Ho\n0.062296 0.062296 0.437704 Ho\n0.188300 0.188300 0.811700 Ho\n0.437704 0.062296 0.437704 Ho\n0.418787 0.418787 0.743638 Cd\n0.743639 0.418787 0.418786 Cd\n0.418788 0.743638 0.418786 Cd\n0.418787 0.418787 0.418786 Cd\n0.859065 0.859064 0.859063 Co\n0.422807 0.859064 0.859063 Co\n0.859065 0.422806 0.859063 Co\n0.859065 0.859064 0.422805 Co\n",
"nsites": 24,
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"elements": [
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"Cd",
"Co"
],
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"density": 9.504187399662491,
"density_atomic": 0.04132205420996363,
"volume": 580.8036521624109,
"volume_molar": 14.573672280183821,
"formula_full": "Ho16 Cd4 Co4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-115381",
"created_at": "2022-09-04T14:38:45.651798Z",
"updated_at": "2022-09-04T14:38:45.651828Z",
"structure_string": "Pb1 S1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nPb S\n1 1\ndirect\n0.000000 0.000000 0.874685 Pb\n0.000000 0.000000 0.125315 S\n",
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"elements": [
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"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
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"energy_above_hull": 1.22287041,
"spacegroup": 99
},
{
"id": "jvasp-118948",
"created_at": "2022-09-04T14:38:48.591940Z",
"updated_at": "2022-09-04T14:38:48.591968Z",
"structure_string": "Au1 S1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAu S\n1 1\ndirect\n0.000000 0.000000 0.879005 Au\n0.000000 0.000000 0.120995 S\n",
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"formula_full": "Au1 S1",
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{
"id": "jvasp-114453",
"created_at": "2022-09-04T14:38:41.966345Z",
"updated_at": "2022-09-04T14:38:41.966361Z",
"structure_string": "N1 F1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nN F\n1 1\ndirect\n0.000000 0.000000 0.904761 N\n0.000000 0.000000 0.095239 F\n",
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"spacegroup": 99
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{
"id": "jvasp-115402",
"created_at": "2022-09-04T14:38:45.727915Z",
"updated_at": "2022-09-04T14:38:45.727924Z",
"structure_string": "As1 Pt1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Pt\n1 1\ndirect\n0.000000 0.000000 0.142300 As\n0.000000 0.000000 0.857699 Pt\n",
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},
{
"id": "jvasp-114973",
"created_at": "2022-09-04T14:38:42.534152Z",
"updated_at": "2022-09-04T14:38:42.534183Z",
"structure_string": "Ge1 Cl1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nGe Cl\n1 1\ndirect\n0.000000 0.000000 0.895084 Ge\n0.000000 0.000000 0.104916 Cl\n",
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{
"id": "jvasp-118572",
"created_at": "2022-09-04T14:38:52.479535Z",
"updated_at": "2022-09-04T14:38:52.479562Z",
"structure_string": "As1 Ir1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Ir\n1 1\ndirect\n0.000000 0.000000 0.155474 As\n0.000000 0.000000 0.844525 Ir\n",
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{
"id": "jvasp-117837",
"created_at": "2022-09-04T14:38:28.952807Z",
"updated_at": "2022-09-04T14:38:28.952837Z",
"structure_string": "P1 Br1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nP Br\n1 1\ndirect\n0.000000 0.000000 0.111393 P\n0.000000 0.000000 0.888607 Br\n",
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}
]
}