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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3406",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3404",
"results": [
{
"id": "jvasp-51383",
"created_at": "2022-09-04T14:37:00.144130Z",
"updated_at": "2022-09-04T14:37:00.144161Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n-5.283538 3.966098 3.790166\n5.283538 -3.966098 3.790166\n5.283538 3.966098 -3.790166\nSb Pb O\n4 4 14\ndirect\n0.240600 0.738804 0.001796 Sb\n0.737007 0.238803 0.998204 Sb\n0.240910 0.740910 0.500000 Sb\n0.240910 0.240910 0.000000 Sb\n0.219632 0.251741 0.467890 Pb\n0.783852 0.751742 0.532110 Pb\n0.731293 0.231293 0.500000 Pb\n0.731293 0.731293 0.000000 Pb\n0.368196 0.558839 0.042868 O\n0.515970 0.325328 0.957133 O\n0.368196 0.825329 0.309358 O\n0.515970 0.058838 0.690642 O\n0.019990 0.146291 0.694002 O\n0.452290 0.325990 0.305999 O\n0.108689 0.918275 0.948912 O\n0.452290 0.646292 0.626302 O\n0.969365 0.159778 0.051088 O\n0.895652 0.489453 0.906197 O\n0.969365 0.418275 0.309587 O\n0.108689 0.659778 0.690414 O\n0.019990 0.825990 0.373699 O\n0.583257 0.989454 0.093803 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.048516266458385,
"density_atomic": 0.06924942658763883,
"volume": 317.6921612796003,
"volume_molar": 8.696304152610796,
"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.129290758181818,
"spacegroup": 46
},
{
"id": "jvasp-20990",
"created_at": "2022-09-04T14:38:39.043120Z",
"updated_at": "2022-09-04T14:38:39.043145Z",
"structure_string": "Sb4 Pd4 Se4\n1.0\n6.429814 -0.000000 -0.000000\n0.000000 6.429814 -0.000000\n0.000000 -0.000000 6.429814\nSb Pd Se\n4 4 4\ndirect\n0.873400 0.626600 0.373400 Sb\n0.373400 0.873400 0.626600 Sb\n0.126600 0.126600 0.126600 Sb\n0.626600 0.373400 0.873400 Sb\n0.747131 0.247132 0.252868 Pd\n0.247132 0.252868 0.747131 Pd\n0.252868 0.747131 0.247132 Pd\n0.752868 0.752868 0.752868 Pd\n0.367962 0.367962 0.367962 Se\n0.132037 0.632037 0.867962 Se\n0.867962 0.132037 0.632037 Se\n0.632037 0.867962 0.132037 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Pd",
"Se"
],
"chemical_system": "Pd-Sb-Se",
"density": 7.674502623420389,
"density_atomic": 0.04514254256417116,
"volume": 265.8246372131504,
"volume_molar": 13.340278189779383,
"formula_full": "Sb4 Pd4 Se4",
"formula_reduced": "SbPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2447817222222226,
"spacegroup": 198
},
{
"id": "jvasp-55538",
"created_at": "2022-09-04T14:36:35.527037Z",
"updated_at": "2022-09-04T14:36:35.527061Z",
"structure_string": "Sb4 Pt4 O14\n1.0\n6.356101 0.000000 3.669696\n2.118700 5.992588 3.669696\n0.000000 0.000000 7.339393\nSb Pt O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.334814 0.915186 0.334814 O\n0.915186 0.334814 0.915186 O\n0.915186 0.334814 0.334814 O\n0.625000 0.625000 0.625000 O\n0.665186 0.084814 0.084814 O\n0.084814 0.665186 0.084814 O\n0.084814 0.084814 0.665186 O\n0.665186 0.665186 0.084815 O\n0.665186 0.084814 0.665186 O\n0.334814 0.915186 0.915186 O\n0.084814 0.665186 0.665186 O\n0.375000 0.375000 0.375000 O\n0.915186 0.915186 0.334815 O\n0.334814 0.334814 0.915186 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sb",
"density": 8.85866845380186,
"density_atomic": 0.0786968460797225,
"volume": 279.5537698894982,
"volume_molar": 7.652327964832764,
"formula_full": "Sb4 Pt4 O14",
"formula_reduced": "Sb2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.6995199545454542,
"spacegroup": 227
},
{
"id": "jvasp-17776",
"created_at": "2022-09-04T14:38:14.632623Z",
"updated_at": "2022-09-04T14:38:14.632648Z",
"structure_string": "Sb4 Rh4\n1.0\n3.920566 0.000000 0.000000\n0.000000 6.062217 0.000000\n0.000000 0.000000 6.444919\nSb Rh\n4 4\ndirect\n0.750001 0.800823 0.591381 Sb\n0.250000 0.199177 0.408619 Sb\n0.750001 0.300823 0.908619 Sb\n0.250000 0.699178 0.091381 Sb\n0.750001 0.994253 0.195987 Rh\n0.250000 0.005748 0.804013 Rh\n0.750001 0.494252 0.304013 Rh\n0.250000 0.505748 0.695987 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb",
"density": 9.741991907610718,
"density_atomic": 0.05222666281265877,
"volume": 153.17846420125755,
"volume_molar": 11.530778410257424,
"formula_full": "Sb4 Rh4",
"formula_reduced": "SbRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.28511955,
"spacegroup": 62
},
{
"id": "jvasp-8457",
"created_at": "2022-09-04T14:37:07.947945Z",
"updated_at": "2022-09-04T14:37:07.947971Z",
"structure_string": "Sb4 Ru2\n1.0\n3.243322 0.000000 0.000000\n0.000000 6.025047 -0.000000\n0.000000 -0.000000 6.760909\nSb Ru\n4 2\ndirect\n0.000000 0.182877 0.357921 Sb\n0.000000 0.817123 0.642079 Sb\n0.500000 0.682877 0.142079 Sb\n0.500000 0.317123 0.857921 Sb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb",
"density": 8.662159287263533,
"density_atomic": 0.045414616673266156,
"volume": 132.11605512751075,
"volume_molar": 13.260358010563158,
"formula_full": "Sb4 Ru2",
"formula_reduced": "Sb2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2181275666666678,
"spacegroup": 58
},
{
"id": "jvasp-98619",
"created_at": "2022-09-04T14:35:51.689086Z",
"updated_at": "2022-09-04T14:35:51.689110Z",
"structure_string": "Sb4 Ru2 C12 O12 F24\n1.0\n8.058036 -0.000000 -0.000000\n-0.000000 8.058036 0.000000\n-0.000000 -0.000000 12.135168\nSb Ru C O F\n4 2 12 12 24\ndirect\n0.000000 0.500000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.500000 0.000000 0.750000 Sb\n0.500000 0.000000 0.250000 Sb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.785784 0.869256 0.000000 C\n0.285784 0.630744 0.500000 C\n0.714216 0.369256 0.500000 C\n0.630744 0.714216 0.500000 C\n0.869256 0.214216 0.000000 C\n0.130744 0.785784 0.000000 C\n0.000000 0.000000 0.833919 C\n0.500000 0.500000 0.333919 C\n0.500000 0.500000 0.666081 C\n0.000000 0.000000 0.166081 C\n0.369256 0.285784 0.500000 C\n0.214216 0.130744 0.000000 C\n0.500000 0.500000 0.759600 O\n0.703522 0.834640 0.500000 O\n0.000000 0.000000 0.740400 O\n0.000000 0.000000 0.259600 O\n0.500000 0.500000 0.240400 O\n0.296479 0.165360 0.500000 O\n0.165360 0.703522 0.500000 O\n0.834640 0.296479 0.500000 O\n0.203521 0.665361 0.000000 O\n0.796479 0.334640 0.000000 O\n0.334640 0.203521 0.000000 O\n0.665361 0.796479 0.000000 O\n0.888177 0.624101 0.863133 F\n0.667908 0.832093 0.250000 F\n0.332093 0.167908 0.250000 F\n0.611824 0.124101 0.636867 F\n0.388177 0.875900 0.636867 F\n0.624101 0.111824 0.863133 F\n0.124101 0.388177 0.636867 F\n0.875900 0.611824 0.636867 F\n0.111824 0.375900 0.863133 F\n0.888177 0.624101 0.136867 F\n0.832093 0.332093 0.250000 F\n0.611824 0.124101 0.363133 F\n0.375900 0.888177 0.136867 F\n0.875900 0.611824 0.363133 F\n0.124101 0.388177 0.363133 F\n0.111824 0.375900 0.136867 F\n0.624101 0.111824 0.136867 F\n0.667908 0.832093 0.750000 F\n0.167908 0.667908 0.750000 F\n0.388177 0.875900 0.363133 F\n0.167908 0.667908 0.250000 F\n0.332093 0.167908 0.750000 F\n0.375900 0.888177 0.863133 F\n0.832093 0.332093 0.750000 F\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Sb",
"Ru",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru-Sb",
"density": 3.1215984506010837,
"density_atomic": 0.0685313930834859,
"volume": 787.9600511581086,
"volume_molar": 8.787419150612836,
"formula_full": "Sb4 Ru2 C12 O12 F24",
"formula_reduced": "Sb2RuC6(OF2)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 2.627375447777778,
"spacegroup": 128
},
{
"id": "jvasp-14887",
"created_at": "2022-09-04T14:36:04.058274Z",
"updated_at": "2022-09-04T14:36:04.058296Z",
"structure_string": "Sb4 Ru4\n1.0\n3.892083 0.000000 0.000000\n0.000000 5.902137 0.000000\n0.000000 0.000000 6.625222\nSb Ru\n4 4\ndirect\n0.750000 0.797604 0.585581 Sb\n0.250000 0.202396 0.414419 Sb\n0.750000 0.297604 0.914419 Sb\n0.250000 0.702396 0.085581 Sb\n0.750000 0.994985 0.207652 Ru\n0.250000 0.005016 0.792348 Ru\n0.750000 0.494985 0.292348 Ru\n0.250000 0.505016 0.707652 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb",
"density": 9.725029658598666,
"density_atomic": 0.05256518199478966,
"volume": 152.19199661085491,
"volume_molar": 11.45652032670014,
"formula_full": "Sb4 Ru4",
"formula_reduced": "SbRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.0035983000000006,
"spacegroup": 62
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
},
{
"id": "jvasp-100857",
"created_at": "2022-09-04T14:37:09.840048Z",
"updated_at": "2022-09-04T14:37:09.840071Z",
"structure_string": "Sb4 S3 N2\n1.0\n5.461811 0.333301 4.646100\n1.051598 3.572512 -0.000000\n-0.909784 0.267802 9.124413\nSb S N\n4 3 2\ndirect\n0.241178 0.879410 0.594335 Sb\n0.758823 0.120588 0.405664 Sb\n0.625204 0.687397 0.121867 Sb\n0.374797 0.312601 0.878132 Sb\n0.000000 0.000000 0.000000 S\n0.706569 0.646715 0.705792 S\n0.293432 0.353283 0.294207 S\n0.615692 0.692153 0.359129 N\n0.384309 0.307845 0.640870 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 5.307193008220819,
"density_atomic": 0.04705876859936922,
"volume": 191.2502232393866,
"volume_molar": 12.797064052544547,
"formula_full": "Sb4 S3 N2",
"formula_reduced": "Sb4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.940918988888889,
"spacegroup": 12
},
{
"id": "jvasp-98245",
"created_at": "2022-09-04T14:36:11.670833Z",
"updated_at": "2022-09-04T14:36:11.670850Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.709742664030701,
"density_atomic": 0.04842034309006605,
"volume": 908.7089680086772,
"volume_molar": 12.437212080051344,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1226554645454546,
"spacegroup": 14
},
{
"id": "jvasp-97448",
"created_at": "2022-09-04T14:36:14.398992Z",
"updated_at": "2022-09-04T14:36:14.399028Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.698825112613739,
"density_atomic": 0.04827784490806591,
"volume": 911.3911377731943,
"volume_molar": 12.473922088833474,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1229509190909092,
"spacegroup": 19
},
{
"id": "jvasp-5191",
"created_at": "2022-09-04T14:35:46.021432Z",
"updated_at": "2022-09-04T14:35:46.021464Z",
"structure_string": "Sb4 S4 Br4\n1.0\n3.982502 0.000000 0.000000\n0.000000 8.326936 0.000000\n0.000000 0.000000 9.850393\nSb S Br\n4 4 4\ndirect\n0.262108 0.622941 0.366988 Sb\n0.762107 0.377059 0.633012 Sb\n0.762107 0.877059 0.866988 Sb\n0.262108 0.122941 0.133012 Sb\n0.762050 0.663166 0.547551 S\n0.762050 0.163166 0.952449 S\n0.262050 0.836834 0.047551 S\n0.262050 0.336834 0.452449 S\n0.762042 0.486599 0.175483 Br\n0.762042 0.986599 0.324517 Br\n0.262042 0.013402 0.675483 Br\n0.262042 0.513402 0.824517 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"Br"
],
"chemical_system": "Br-S-Sb",
"density": 4.752552275985762,
"density_atomic": 0.03673554259651384,
"volume": 326.6591195290739,
"volume_molar": 16.393226652847897,
"formula_full": "Sb4 S4 Br4",
"formula_reduced": "SbSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8443200683333335,
"spacegroup": 62
}
]
}