HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=450",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=448",
"results": [
{
"id": "jvasp-112201",
"created_at": "2022-09-04T14:38:44.282705Z",
"updated_at": "2022-09-04T14:38:44.282734Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.338854 -0.002942 -0.632987\n-2.355741 6.310846 -1.074606\n0.132284 -0.187311 9.681492\nSn H C Cl\n2 8 4 4\ndirect\n0.770770 0.782992 0.724510 Sn\n0.134542 0.242958 0.242924 Sn\n0.564461 0.318500 0.487649 H\n0.260092 0.968791 0.047585 H\n0.645174 0.057106 0.919875 H\n0.340813 0.707454 0.479800 H\n0.723417 0.692655 0.443962 H\n0.266433 0.199151 0.979536 H\n0.638861 0.826733 -0.012100 H\n0.181847 0.333300 0.523470 H\n0.382827 0.394581 0.468665 C\n0.522450 0.631371 0.498774 C\n0.123730 0.072054 0.025070 C\n0.781549 0.953845 0.942375 C\n0.864348 0.494756 0.186818 Cl\n0.644788 0.986684 0.293238 Cl\n0.260524 0.039276 0.674212 Cl\n0.040934 0.531180 0.780608 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.734037303437698,
"density_atomic": 0.06807708423680353,
"volume": 264.40615372696766,
"volume_molar": 8.846061530855543,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.984673315,
"spacegroup": 2
},
{
"id": "jvasp-70317",
"created_at": "2022-09-04T14:35:58.663679Z",
"updated_at": "2022-09-04T14:35:58.663699Z",
"structure_string": "Ti1 Be2 Cl1\n1.0\n2.826653 0.000000 0.000000\n0.000000 2.826653 -0.000000\n0.000000 -0.000000 7.703608\nTi Be Cl\n1 2 1\ndirect\n0.499999 0.499999 0.778970 Ti\n0.000000 0.000000 0.013584 Be\n0.499999 0.499999 0.132004 Be\n0.000000 0.000000 0.575442 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Ti",
"density": 2.7340693607194804,
"density_atomic": 0.06498615174513646,
"volume": 61.551575106143424,
"volume_molar": 9.266806232222692,
"formula_full": "Ti1 Be2 Cl1",
"formula_reduced": "TiBe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8613211502083336,
"spacegroup": 99
},
{
"id": "jvasp-5128",
"created_at": "2022-09-04T14:37:05.236380Z",
"updated_at": "2022-09-04T14:37:05.236412Z",
"structure_string": "Na4 S2 O8\n1.0\n2.469415 -4.277151 -0.000000\n2.469415 4.277151 0.000000\n0.000000 -0.000000 8.167845\nNa S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.666668 0.333334 0.959230 Na\n0.333334 0.666668 0.040769 Na\n0.333334 0.666668 0.715837 S\n0.666668 0.333334 0.284163 S\n0.690594 0.845297 0.229774 O\n0.154705 0.309408 0.229774 O\n0.154706 0.845296 0.229774 O\n0.845296 0.154706 0.770226 O\n0.845297 0.690594 0.770226 O\n0.309408 0.154705 0.770226 O\n0.333334 0.666668 0.539553 O\n0.666668 0.333334 0.460447 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.734073260847569,
"density_atomic": 0.08114128622893031,
"volume": 172.53855158890008,
"volume_molar": 7.421796029963414,
"formula_full": "Na4 S2 O8",
"formula_reduced": "Na2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6011802857142854,
"spacegroup": 164
},
{
"id": "jvasp-46780",
"created_at": "2022-09-04T14:38:07.157831Z",
"updated_at": "2022-09-04T14:38:07.157869Z",
"structure_string": "Li14 Sb4 S4\n1.0\n5.649114 0.040604 0.023592\n2.122624 8.537792 0.044453\n2.093309 3.363136 9.009261\nLi Sb S\n14 4 4\ndirect\n0.551516 0.438536 0.870336 Li\n0.448483 0.561464 0.129663 Li\n0.898492 0.741380 0.200887 Li\n0.442000 0.059472 0.120971 Li\n0.659889 0.110914 0.447128 Li\n0.205618 0.348188 0.480851 Li\n0.393390 0.745099 0.330281 Li\n0.925601 0.079185 0.127753 Li\n0.794381 0.651812 0.519148 Li\n0.340110 0.889086 0.552871 Li\n0.074398 0.920815 0.872246 Li\n0.557999 0.940528 0.879029 Li\n0.101507 0.258620 0.799112 Li\n0.606609 0.254901 0.669718 Li\n0.884125 0.632172 0.876561 Sb\n0.250489 0.568660 0.634254 Sb\n0.749510 0.431340 0.365745 Sb\n0.115874 0.367828 0.123438 Sb\n0.650644 0.923330 0.336554 S\n0.734453 0.151744 0.905399 S\n0.349355 0.076670 0.663446 S\n0.265546 0.848256 0.094600 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.7344914007531704,
"density_atomic": 0.050848848774382144,
"volume": 432.65482956388365,
"volume_molar": 11.843219473306894,
"formula_full": "Li14 Sb4 S4",
"formula_reduced": "Li7(SbS)2",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.2176602000000003,
"spacegroup": 2
},
{
"id": "jvasp-18426",
"created_at": "2022-09-04T14:36:40.216932Z",
"updated_at": "2022-09-04T14:36:40.216958Z",
"structure_string": "Al1 Cl3\n1.0\n1.810253 -3.135449 -0.000000\n1.810253 3.135449 0.000000\n0.000000 0.000000 7.131813\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333332 0.666666 0.677379 Cl\n0.666666 0.333332 0.322621 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.734905613429607,
"density_atomic": 0.049407289780000675,
"volume": 80.95971298589909,
"volume_molar": 12.188769687257105,
"formula_full": "Al1 Cl3",
"formula_reduced": "AlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.310873750625,
"spacegroup": 164
},
{
"id": "jvasp-13782",
"created_at": "2022-09-04T14:36:58.923987Z",
"updated_at": "2022-09-04T14:36:58.924002Z",
"structure_string": "Al1 Cl3\n1.0\n1.810253 -3.135449 -0.000000\n1.810253 3.135449 0.000000\n0.000000 0.000000 7.131813\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333332 0.666666 0.677379 Cl\n0.666666 0.333332 0.322621 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.734905613429607,
"density_atomic": 0.049407289780000675,
"volume": 80.95971298589909,
"volume_molar": 12.188769687257105,
"formula_full": "Al1 Cl3",
"formula_reduced": "AlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.310873750625,
"spacegroup": 164
},
{
"id": "jvasp-11748",
"created_at": "2022-09-04T14:37:05.285605Z",
"updated_at": "2022-09-04T14:37:05.285621Z",
"structure_string": "Na8 Fe2 O6\n1.0\n5.794903 0.000000 0.000000\n-2.897452 4.974395 -2.222804\n0.000000 0.019100 8.239537\nNa Fe O\n8 2 6\ndirect\n0.276968 0.220524 0.950706 Na\n0.726526 0.770726 0.031585 Na\n0.943555 0.220523 0.450706 Na\n0.100777 0.615702 0.849868 Na\n0.514925 0.615702 0.349868 Na\n0.866953 0.411949 0.129677 Na\n0.044199 0.770725 0.531585 Na\n0.544997 0.411950 0.629677 Na\n0.630171 0.961706 0.745034 Fe\n0.331535 0.961706 0.245036 Fe\n0.882302 0.872003 0.791893 O\n0.316126 0.632692 0.609712 O\n0.316567 0.632693 0.109713 O\n0.989701 0.872003 0.291892 O\n0.638935 0.298302 0.342630 O\n0.659365 0.298301 0.842631 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.7350039543745552,
"density_atomic": 0.06729473851010573,
"volume": 237.76004416150994,
"volume_molar": 8.94890283152768,
"formula_full": "Na8 Fe2 O6",
"formula_reduced": "Na4FeO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9589452500000002,
"spacegroup": 9
},
{
"id": "jvasp-37160",
"created_at": "2022-09-04T14:38:05.640133Z",
"updated_at": "2022-09-04T14:38:05.640160Z",
"structure_string": "Na1 Sc1 S2\n1.0\n-1.878350 -3.253397 -0.000000\n-3.756700 -0.000000 -0.000000\n-1.878350 -1.084466 -6.560515\nNa Sc S\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.739400 0.739398 0.781804 S\n0.260602 0.260602 0.218196 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"S"
],
"chemical_system": "Na-S-Sc",
"density": 2.7352085635824817,
"density_atomic": 0.04988597696081003,
"volume": 80.1828538537466,
"volume_molar": 12.07181081114426,
"formula_full": "Na1 Sc1 S2",
"formula_reduced": "NaScS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9411285625,
"spacegroup": 166
},
{
"id": "jvasp-109004",
"created_at": "2022-09-04T14:38:17.030840Z",
"updated_at": "2022-09-04T14:38:17.030857Z",
"structure_string": "K1 Rb2 Sm1 Cl6\n1.0\n6.836891 -0.000000 3.947281\n2.278964 6.445883 3.947281\n-0.000000 -0.000000 7.894562\nK Rb Sm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.760443 0.239557 0.239557 Cl\n0.239557 0.239557 0.760443 Cl\n0.239557 0.760442 0.760443 Cl\n0.239557 0.760442 0.239557 Cl\n0.760443 0.239557 0.760443 Cl\n0.760442 0.760442 0.239557 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sm",
"Cl"
],
"chemical_system": "Cl-K-Rb-Sm",
"density": 2.7353909735074886,
"density_atomic": 0.0287429199808767,
"volume": 347.9117642415322,
"volume_molar": 20.951736163224417,
"formula_full": "K1 Rb2 Sm1 Cl6",
"formula_reduced": "KRb2SmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-51337",
"created_at": "2022-09-04T14:37:05.178298Z",
"updated_at": "2022-09-04T14:37:05.178323Z",
"structure_string": "Na2 Sr1 Fe1\n1.0\n-0.000246 3.850355 3.863468\n3.864822 -0.000445 3.863671\n3.864578 3.850314 -0.000206\nNa Sr Fe\n2 1 1\ndirect\n0.249995 0.249961 0.250002 Na\n0.750003 0.750036 0.749997 Na\n0.499999 0.499998 0.500000 Sr\n0.000004 0.000002 0.000003 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Fe"
],
"chemical_system": "Fe-Na-Sr",
"density": 2.7355693043979863,
"density_atomic": 0.034783760019126544,
"volume": 114.99619356275802,
"volume_molar": 17.313081612478367,
"formula_full": "Na2 Sr1 Fe1",
"formula_reduced": "Na2SrFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5222799524999999,
"spacegroup": 225
},
{
"id": "jvasp-114023",
"created_at": "2022-09-04T14:38:51.960450Z",
"updated_at": "2022-09-04T14:38:51.960476Z",
"structure_string": "S1 F2\n1.0\n3.742804 0.000000 0.000000\n-1.871402 3.241363 -0.000000\n0.000000 0.000000 3.505509\nS F\n1 2\ndirect\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.000000 F\n0.666666 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.7356125422834583,
"density_atomic": 0.07054161738033173,
"volume": 42.528086417769806,
"volume_molar": 8.537004088708464,
"formula_full": "S1 F2",
"formula_reduced": "SF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4177399999999999,
"spacegroup": 191
},
{
"id": "jvasp-22034",
"created_at": "2022-09-04T14:37:34.626220Z",
"updated_at": "2022-09-04T14:37:34.626237Z",
"structure_string": "Sr8 Al16 S32\n1.0\n11.551426 -0.007091 -3.074151\n-6.721065 9.394826 -3.074151\n-0.011716 -0.022771 12.094625\nSr Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Sr\n0.375000 0.625000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.623410 0.873410 0.746819 Sr\n0.126590 0.376590 0.753181 Sr\n0.376590 0.126590 0.253181 Sr\n0.873410 0.623410 0.246819 Sr\n0.125000 0.875000 0.750000 Sr\n0.531041 0.637495 0.999776 Al\n0.637719 0.031265 0.500225 Al\n0.362505 0.468960 0.500225 Al\n0.968735 0.362282 0.999776 Al\n0.889827 0.864677 0.999094 Al\n0.362281 0.968735 0.499776 Al\n0.637495 0.531041 0.499776 Al\n0.031265 0.637719 0.000225 Al\n0.865583 0.390734 0.500907 Al\n0.135324 0.110173 0.500907 Al\n0.609267 0.134417 0.999094 Al\n0.110173 0.135324 0.000907 Al\n0.134417 0.609267 0.499094 Al\n0.864676 0.889827 0.499094 Al\n0.468959 0.362505 0.000225 Al\n0.390733 0.865583 0.000907 Al\n0.918394 0.418465 0.835541 S\n0.417146 0.417076 0.835541 S\n0.581535 0.081606 0.664460 S\n0.645553 0.336571 0.998327 S\n0.338244 0.147227 0.501674 S\n0.661756 0.852774 0.498327 S\n0.852773 0.661756 0.998327 S\n0.354447 0.663430 0.001674 S\n0.336570 0.645553 0.498327 S\n0.147227 0.338244 0.001674 S\n0.663430 0.354448 0.501674 S\n0.582924 0.582854 0.664460 S\n0.582854 0.582924 0.164460 S\n0.081606 0.581535 0.164459 S\n0.312413 0.160602 0.001559 S\n0.159043 0.810854 0.498441 S\n0.839398 0.687588 0.498441 S\n0.189147 0.840957 0.001559 S\n0.687587 0.839399 0.998442 S\n0.840957 0.189147 0.501559 S\n0.160602 0.312413 0.501559 S\n0.418465 0.918395 0.335541 S\n0.810853 0.159043 0.998442 S\n0.081314 0.080549 0.163701 S\n0.582387 0.083151 0.163701 S\n0.083150 0.582387 0.663701 S\n0.918686 0.919451 0.836300 S\n0.417613 0.916850 0.836300 S\n0.080549 0.081314 0.663701 S\n0.417076 0.417147 0.335541 S\n0.916850 0.417613 0.336300 S\n0.919451 0.918687 0.336300 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"Al",
"S"
],
"chemical_system": "Al-S-Sr",
"density": 2.7356480190688046,
"density_atomic": 0.04273639454493484,
"volume": 1310.3585502777792,
"volume_molar": 14.091363635432721,
"formula_full": "Sr8 Al16 S32",
"formula_reduced": "Sr(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4589917014285714,
"spacegroup": 70
}
]
}