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_atomic&page=3794",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3792",
"results": [
{
"id": "jvasp-68727",
"created_at": "2022-09-04T14:36:05.284043Z",
"updated_at": "2022-09-04T14:36:05.284067Z",
"structure_string": "Be1 Pb2 Cl1\n1.0\n-2.038721 2.038721 6.384641\n2.038721 -2.038721 6.384641\n2.038721 2.038721 -6.384641\nBe Pb Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Pb\n0.250000 0.750000 0.500000 Pb\n0.750000 0.250000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pb",
"Cl"
],
"chemical_system": "Be-Cl-Pb",
"density": 7.178308784326005,
"density_atomic": 0.03768321295983153,
"volume": 106.14806132013757,
"volume_molar": 15.980964166774497,
"formula_full": "Be1 Pb2 Cl1",
"formula_reduced": "BePb2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.666102951875,
"spacegroup": 119
},
{
"id": "jvasp-12880",
"created_at": "2022-09-04T14:36:54.994997Z",
"updated_at": "2022-09-04T14:36:54.995015Z",
"structure_string": "Na2 Sb2 Cl12\n1.0\n6.280683 -0.000000 0.000000\n0.000000 6.280683 0.000000\n0.000000 0.000000 10.763956\nNa Sb Cl\n2 2 12\ndirect\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.778357 0.183827 0.000000 Cl\n0.816173 0.778357 0.500000 Cl\n0.183827 0.221642 0.500000 Cl\n0.221642 0.816173 0.000000 Cl\n0.227643 0.346917 0.158332 Cl\n0.653082 0.227643 0.658332 Cl\n0.346917 0.772356 0.658332 Cl\n0.772356 0.653082 0.158332 Cl\n0.772356 0.653082 0.841668 Cl\n0.346917 0.772356 0.341668 Cl\n0.653082 0.227643 0.341668 Cl\n0.227643 0.346917 0.841668 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Sb",
"density": 2.7959559263086375,
"density_atomic": 0.03768203256303495,
"volume": 424.6055457129339,
"volume_molar": 15.98146477349939,
"formula_full": "Na2 Sb2 Cl12",
"formula_reduced": "NaSbCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1459346254166666,
"spacegroup": 84
},
{
"id": "jvasp-88642",
"created_at": "2022-09-04T14:36:12.078254Z",
"updated_at": "2022-09-04T14:36:12.078280Z",
"structure_string": "Ba4 Zr3 S10\n1.0\n4.973573 0.008377 -0.689001\n-0.103874 4.972495 -0.689001\n-0.007132 -0.007295 18.243751\nBa Zr S\n4 3 10\ndirect\n0.699882 0.699882 0.399764 Ba\n0.567706 0.567705 0.135411 Ba\n0.432295 0.432295 0.864589 Ba\n0.300119 0.300119 0.600236 Ba\n0.142875 0.142875 0.285749 Zr\n0.857126 0.857126 0.714251 Zr\n0.000000 0.000000 0.000000 Zr\n0.786875 0.786875 0.573750 S\n0.860980 0.360981 0.721960 S\n0.213126 0.213126 0.426250 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.360981 0.860980 0.721960 S\n0.139020 0.639020 0.278040 S\n0.639020 0.139020 0.278040 S\n0.929535 0.929535 0.859071 S\n0.070465 0.070465 0.140929 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"S"
],
"chemical_system": "Ba-S-Zr",
"density": 4.209305190079829,
"density_atomic": 0.03768119778326288,
"volume": 451.1533868371618,
"volume_molar": 15.981818822847764,
"formula_full": "Ba4 Zr3 S10",
"formula_reduced": "Ba4Zr3S10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.157678669411765,
"spacegroup": 139
},
{
"id": "jvasp-26414",
"created_at": "2022-09-04T14:37:41.100664Z",
"updated_at": "2022-09-04T14:37:41.100686Z",
"structure_string": "Ba2 Cu1 Br1 O2\n1.0\n4.208566 -0.013878 9.203932\n1.993377 3.706572 9.203932\n-0.023310 -0.013878 10.120466\nBa Cu Br O\n2 1 1 2\ndirect\n0.747754 0.747751 0.747752 Ba\n0.252251 0.252250 0.252250 Ba\n0.500000 0.499998 0.499998 Cu\n0.000000 0.000000 0.000000 Br\n0.438407 0.438406 0.438406 O\n0.561593 0.561592 0.561592 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Br",
"O"
],
"chemical_system": "Ba-Br-Cu-O",
"density": 4.693809212741187,
"density_atomic": 0.03768043183399074,
"volume": 159.23384388040702,
"volume_molar": 15.982143693394596,
"formula_full": "Ba2 Cu1 Br1 O2",
"formula_reduced": "Ba2CuBrO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.3406755824999999,
"spacegroup": 166
},
{
"id": "jvasp-3933",
"created_at": "2022-09-04T14:36:33.625019Z",
"updated_at": "2022-09-04T14:36:33.625041Z",
"structure_string": "Tm2 Cl6\n1.0\n5.702133 0.001494 4.110234\n2.104805 5.299445 4.110234\n0.002201 0.001494 7.029106\nTm Cl\n2 6\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.417406 0.750000 0.082593 Cl\n0.750000 0.082593 0.417406 Cl\n0.917406 0.582594 0.249999 Cl\n0.250001 0.917406 0.582593 Cl\n0.582594 0.249999 0.917406 Cl\n0.082594 0.417406 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Cl"
],
"chemical_system": "Cl-Tm",
"density": 4.306209609800821,
"density_atomic": 0.03767997099710083,
"volume": 212.31438847486203,
"volume_molar": 15.98233915961176,
"formula_full": "Tm2 Cl6",
"formula_reduced": "TmCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-116178",
"created_at": "2022-09-04T14:38:41.071391Z",
"updated_at": "2022-09-04T14:38:41.071424Z",
"structure_string": "I2 N2\n1.0\n5.916454 0.283767 -0.763182\n-0.854206 -7.629946 -0.156155\n-1.782966 1.242394 -2.087746\nI N\n2 2\ndirect\n0.031362 0.020769 -0.107705 I\n0.334637 0.624042 0.724490 I\n0.723633 0.405485 0.423539 N\n0.642529 0.239412 0.193578 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 4.408286394804815,
"density_atomic": 0.03767951282936862,
"volume": 106.15848506624724,
"volume_molar": 15.982533498432469,
"formula_full": "I2 N2",
"formula_reduced": "IN",
"formula_anonymous": "AB",
"energy_above_hull": 1.6987297625,
"spacegroup": 12
},
{
"id": "jvasp-40053",
"created_at": "2022-09-04T14:37:53.129934Z",
"updated_at": "2022-09-04T14:37:53.129958Z",
"structure_string": "Yb2 Cd1 In1\n1.0\n0.000000 3.758158 3.758158\n3.758158 0.000000 3.758158\n3.758158 3.758158 0.000000\nYb Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.250001 0.250001 0.250001 Cd\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"In"
],
"chemical_system": "Cd-In-Yb",
"density": 8.967734814539618,
"density_atomic": 0.03767947921290127,
"volume": 106.15857977756815,
"volume_molar": 15.982547757555123,
"formula_full": "Yb2 Cd1 In1",
"formula_reduced": "Yb2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102586",
"created_at": "2022-09-04T14:36:57.367739Z",
"updated_at": "2022-09-04T14:36:57.367760Z",
"structure_string": "Y1 Tm1 Tl2\n1.0\n4.602885 -0.000000 2.657477\n1.534295 4.339642 2.657477\n-0.000000 -0.000000 5.314954\nY Tm Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500001 Tm\n0.249999 0.250000 0.250000 Tl\n0.749998 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tm",
"Tl"
],
"chemical_system": "Tl-Tm-Y",
"density": 10.42641981125411,
"density_atomic": 0.037677011956600344,
"volume": 106.16553150784748,
"volume_molar": 15.983594365011813,
"formula_full": "Y1 Tm1 Tl2",
"formula_reduced": "YTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6522637249999998,
"spacegroup": 225
},
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-28727",
"created_at": "2022-09-04T14:37:30.038220Z",
"updated_at": "2022-09-04T14:37:30.038243Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.256783 0.000005 -0.000085\n-1.628388 2.820503 -0.000052\n-0.000901 -0.001368 34.673401\nMo Se S\n4 4 4\ndirect\n0.333309 0.666656 0.094797 Mo\n0.333351 0.666698 0.471703 Mo\n0.666647 0.333302 0.279756 Mo\n0.666690 0.333344 0.656662 Mo\n0.333366 0.666689 0.328749 Se\n0.666632 0.333311 0.422709 Se\n0.666725 0.333394 0.520681 Se\n0.333274 0.666606 0.230777 Se\n0.333390 0.666688 0.701214 S\n0.666609 0.333312 0.050244 S\n0.666673 0.333332 0.139406 S\n0.333325 0.666668 0.612052 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 4.316122694250217,
"density_atomic": 0.03767636809777639,
"volume": 318.50203737414444,
"volume_molar": 15.983867511782323,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.483406422222222,
"spacegroup": 164
},
{
"id": "jvasp-69244",
"created_at": "2022-09-04T14:35:46.205196Z",
"updated_at": "2022-09-04T14:35:46.205233Z",
"structure_string": "Ba1 Sc4 Fe1\n1.0\n0.000000 4.302200 4.302200\n4.302200 -0.000000 4.302200\n4.302200 4.302200 -0.000000\nBa Sc Fe\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.116742 0.627753 0.627753 Sc\n0.627753 0.627753 0.627753 Sc\n0.627753 0.116742 0.627753 Sc\n0.627753 0.627753 0.116742 Sc\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Fe"
],
"chemical_system": "Ba-Fe-Sc",
"density": 3.8891176266879186,
"density_atomic": 0.03767467086619549,
"volume": 159.25819289329598,
"volume_molar": 15.984587579777669,
"formula_full": "Ba1 Sc4 Fe1",
"formula_reduced": "BaSc4Fe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.631357078333333,
"spacegroup": 216
},
{
"id": "jvasp-104930",
"created_at": "2022-09-04T14:36:58.098267Z",
"updated_at": "2022-09-04T14:36:58.098285Z",
"structure_string": "Sn1 Pb4 S5\n1.0\n4.156377 -0.022511 -14.633016\n-0.102266 4.155180 -14.633016\n0.022083 0.022511 15.211842\nSn Pb S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.400686 0.400686 -0.000000 Pb\n0.800325 0.800325 -0.000001 Pb\n0.199675 0.199675 -0.000000 Pb\n0.599314 0.599314 -0.000000 Pb\n0.500000 0.500000 -0.000000 S\n0.700323 0.700323 -0.000000 S\n0.098084 0.098085 -0.000000 S\n0.901915 0.901916 -0.000001 S\n0.299677 0.299677 -0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sn",
"density": 6.930553744106415,
"density_atomic": 0.03767417549199762,
"volume": 265.4338116072136,
"volume_molar": 15.984797759619623,
"formula_full": "Sn1 Pb4 S5",
"formula_reduced": "SnPb4S5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.241565498,
"spacegroup": 139
}
]
}