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=-structure_string&page=1188",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1186",
"results": [
{
"id": "jvasp-104873",
"created_at": "2022-09-04T14:36:58.928143Z",
"updated_at": "2022-09-04T14:36:58.928169Z",
"structure_string": "Sc2 In1 Hg1\n1.0\n4.324554 0.000000 2.496782\n1.441518 4.077228 2.496782\n-0.000000 0.000000 4.993565\nSc In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.749999 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sc",
"density": 7.644162540540618,
"density_atomic": 0.04543002350397078,
"volume": 88.04750012181664,
"volume_molar": 13.255860982492424,
"formula_full": "Sc2 In1 Hg1",
"formula_reduced": "Sc2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6575137675000002,
"spacegroup": 225
},
{
"id": "jvasp-81511",
"created_at": "2022-09-04T14:37:18.219614Z",
"updated_at": "2022-09-04T14:37:18.219641Z",
"structure_string": "Sc2 In1 Au1\n1.0\n-12.375935 -0.000000 -7.145249\n-7.525818 -0.459529 -1.255400\n-6.417294 2.675851 -3.175420\nSc In Au\n2 1 1\ndirect\n0.690307 -0.000001 -0.000000 Sc\n0.309694 -0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 -0.000001 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Au"
],
"chemical_system": "Au-In-Sc",
"density": 6.3328665671046505,
"density_atomic": 0.03797635682985251,
"volume": 105.32869221556489,
"volume_molar": 15.857605264721201,
"formula_full": "Sc2 In1 Au1",
"formula_reduced": "Sc2InAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3045620100000002,
"spacegroup": 139
},
{
"id": "jvasp-41864",
"created_at": "2022-09-04T14:37:41.249087Z",
"updated_at": "2022-09-04T14:37:41.249098Z",
"structure_string": "Sc2 In1 Ag1\n1.0\n0.000000 3.487682 3.487682\n3.487682 0.000000 3.487682\n3.487682 3.487682 0.000000\nSc In Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Ag"
],
"chemical_system": "Ag-In-Sc",
"density": 6.117791762560126,
"density_atomic": 0.04714323229021749,
"volume": 84.84780965750676,
"volume_molar": 12.774136323379828,
"formula_full": "Sc2 In1 Ag1",
"formula_reduced": "Sc2InAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0100144325,
"spacegroup": 225
},
{
"id": "jvasp-12099",
"created_at": "2022-09-04T14:37:17.112256Z",
"updated_at": "2022-09-04T14:37:17.112265Z",
"structure_string": "Sc2 I6 O18\n1.0\n7.289880 -0.000774 0.796029\n0.713754 7.254854 0.796031\n-0.000854 -0.000775 7.333212\nSc I O\n2 6 18\ndirect\n0.175381 0.175381 0.175381 Sc\n0.824619 0.824619 0.824619 Sc\n0.413616 0.713191 0.127434 I\n0.713191 0.127434 0.413616 I\n0.586384 0.286809 0.872566 I\n0.872566 0.586384 0.286809 I\n0.286809 0.872566 0.586383 I\n0.127434 0.413616 0.713191 I\n0.422889 0.295482 0.083422 O\n0.704518 0.916577 0.577111 O\n0.916578 0.577111 0.704518 O\n0.577111 0.704517 0.916577 O\n0.065555 0.943867 0.711653 O\n0.211155 0.722123 0.428669 O\n0.934445 0.056133 0.288346 O\n0.056133 0.288346 0.934444 O\n0.288346 0.934444 0.056132 O\n0.083422 0.422888 0.295482 O\n0.295482 0.083422 0.422889 O\n0.571330 0.788845 0.277877 O\n0.277877 0.571330 0.788845 O\n0.788845 0.277877 0.571330 O\n0.428670 0.211155 0.722123 O\n0.722123 0.428669 0.211155 O\n0.711654 0.065555 0.943867 O\n0.943867 0.711654 0.065555 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.8779788087670575,
"density_atomic": 0.06703713549740513,
"volume": 387.8447342220702,
"volume_molar": 8.983290701961907,
"formula_full": "Sc2 I6 O18",
"formula_reduced": "Sc(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.124294275,
"spacegroup": 148
},
{
"id": "jvasp-59073",
"created_at": "2022-09-04T14:36:57.420249Z",
"updated_at": "2022-09-04T14:36:57.420266Z",
"structure_string": "Sc2 I6 O18\n1.0\n7.289681 -0.001140 0.795601\n0.713371 7.254691 0.795603\n-0.001258 -0.001141 7.332968\nSc I O\n2 6 18\ndirect\n0.175394 0.175394 0.175394 Sc\n0.824605 0.824606 0.824605 Sc\n0.413600 0.713193 0.127414 I\n0.713193 0.127414 0.413600 I\n0.586399 0.286807 0.872586 I\n0.872586 0.586399 0.286806 I\n0.286806 0.872586 0.586399 I\n0.127414 0.413601 0.713193 I\n0.422908 0.295507 0.083436 O\n0.704492 0.916564 0.577092 O\n0.916563 0.577092 0.704492 O\n0.577092 0.704493 0.916563 O\n0.065536 0.943895 0.711619 O\n0.211164 0.722137 0.428653 O\n0.934464 0.056105 0.288381 O\n0.056104 0.288381 0.934464 O\n0.288381 0.934464 0.056104 O\n0.083436 0.422908 0.295507 O\n0.295507 0.083436 0.422908 O\n0.571346 0.788836 0.277862 O\n0.277862 0.571346 0.788836 O\n0.788836 0.277863 0.571346 O\n0.428653 0.211164 0.722138 O\n0.722137 0.428654 0.211163 O\n0.711618 0.065536 0.943896 O\n0.943895 0.711619 0.065535 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.8783064586521565,
"density_atomic": 0.06704163832749196,
"volume": 387.81868475517405,
"volume_molar": 8.98268734212971,
"formula_full": "Sc2 I6 O18",
"formula_reduced": "Sc(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.124294275,
"spacegroup": 148
},
{
"id": "jvasp-107981",
"created_at": "2022-09-04T14:38:45.958302Z",
"updated_at": "2022-09-04T14:38:45.958325Z",
"structure_string": "Sc2 I6\n1.0\n10.376269 -0.000000 0.000000\n-5.188134 8.986113 0.000000\n-0.000000 -0.000000 3.807794\nSc I\n2 6\ndirect\n0.333334 0.666666 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n0.210256 0.420511 0.250000 I\n0.579489 0.789744 0.250000 I\n0.210256 0.789744 0.250000 I\n0.789744 0.579489 0.749999 I\n0.420511 0.210256 0.749999 I\n0.789744 0.210256 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"I"
],
"chemical_system": "I-Sc",
"density": 3.9816666906283067,
"density_atomic": 0.02253219204615678,
"volume": 355.04756854602283,
"volume_molar": 26.726830428498726,
"formula_full": "Sc2 I6",
"formula_reduced": "ScI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.11475351875,
"spacegroup": 194
},
{
"id": "jvasp-41858",
"created_at": "2022-09-04T14:37:39.090141Z",
"updated_at": "2022-09-04T14:37:39.090166Z",
"structure_string": "Sc2 I4\n1.0\n7.144002 -0.000000 0.000000\n0.000000 7.144002 0.000000\n0.000000 0.000000 4.120698\nSc I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.293205 0.293205 0.000000 I\n0.706795 0.706795 0.000000 I\n0.206795 0.793204 0.500000 I\n0.793204 0.206795 0.500000 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"I"
],
"chemical_system": "I-Sc",
"density": 4.717964569903895,
"density_atomic": 0.028529708123570818,
"volume": 210.30709371481055,
"volume_molar": 21.108315352951674,
"formula_full": "Sc2 I4",
"formula_reduced": "ScI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2247759333333333,
"spacegroup": 136
},
{
"id": "jvasp-115119",
"created_at": "2022-09-04T14:38:44.720443Z",
"updated_at": "2022-09-04T14:38:44.720469Z",
"structure_string": "Sc2 I2 O2\n1.0\n3.731050 0.000000 0.000000\n0.000000 3.731050 0.000000\n-0.000000 0.000000 9.097849\nSc I O\n2 2 2\ndirect\n0.000000 0.500001 0.108525 Sc\n0.500001 0.000000 0.891475 Sc\n0.000000 0.500001 0.683593 I\n0.500001 0.000000 0.316406 I\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.926200053042519,
"density_atomic": 0.04737512706406772,
"volume": 126.64873683369554,
"volume_molar": 12.71160867147852,
"formula_full": "Sc2 I2 O2",
"formula_reduced": "ScIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4929616750000003,
"spacegroup": 129
},
{
"id": "jvasp-115116",
"created_at": "2022-09-04T14:38:43.223512Z",
"updated_at": "2022-09-04T14:38:43.223538Z",
"structure_string": "Sc2 I2 O2\n1.0\n3.452827 0.000000 0.000000\n0.000000 3.363355 0.000000\n0.000000 0.000000 11.547824\nSc I O\n2 2 2\ndirect\n0.000000 0.500001 0.652033 Sc\n0.500000 0.500001 0.992024 Sc\n0.500000 0.000000 0.193634 I\n0.500000 0.500001 0.466578 I\n0.000000 0.000000 -0.032785 O\n0.000000 0.000000 0.728516 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.65227333237337,
"density_atomic": 0.04474078151207796,
"volume": 134.10583805694756,
"volume_molar": 13.460070558611717,
"formula_full": "Sc2 I2 O2",
"formula_reduced": "ScIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8125616750000002,
"spacegroup": 25
},
{
"id": "jvasp-18717",
"created_at": "2022-09-04T14:36:47.350605Z",
"updated_at": "2022-09-04T14:36:47.350630Z",
"structure_string": "Sc2 Hg6\n1.0\n3.228354 -5.591674 -0.000000\n3.228354 5.591674 -0.000000\n-0.000000 -0.000000 4.866307\nSc Hg\n2 6\ndirect\n0.666666 0.333332 0.250000 Sc\n0.333332 0.666666 0.750001 Sc\n0.170054 0.340108 0.250000 Hg\n0.829945 0.659891 0.750001 Hg\n0.829945 0.170054 0.750001 Hg\n0.659891 0.829945 0.250000 Hg\n0.170054 0.829945 0.250000 Hg\n0.340108 0.170054 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc",
"density": 12.224943523104201,
"density_atomic": 0.045534177207747585,
"volume": 175.69220507708678,
"volume_molar": 13.225539867612541,
"formula_full": "Sc2 Hg6",
"formula_reduced": "ScHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-77426",
"created_at": "2022-09-04T14:38:10.270918Z",
"updated_at": "2022-09-04T14:38:10.270949Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-12.033669 -0.000000 -6.947642\n-7.338245 -0.455266 -1.185071\n-6.242690 2.643430 -3.082628\nSc Hg Pt\n2 1 1\ndirect\n0.818142 0.000001 0.000000 Sc\n0.181858 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt-Sc",
"density": 8.068864916346946,
"density_atomic": 0.040027396118103506,
"volume": 99.93155658184041,
"volume_molar": 15.045047502543687,
"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.544741625,
"spacegroup": 139
},
{
"id": "jvasp-82066",
"created_at": "2022-09-04T14:37:16.806373Z",
"updated_at": "2022-09-04T14:37:16.806401Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-12.027820 -0.000000 -6.944266\n-7.334995 -0.455363 -1.183947\n-6.239611 2.642848 -3.081207\nSc Hg Pt\n2 1 1\ndirect\n0.818118 -0.000001 -0.000000 Sc\n0.181883 -0.000000 -0.000000 Sc\n0.500000 -0.000001 -0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt-Sc",
"density": 8.076557075771051,
"density_atomic": 0.040065554782979476,
"volume": 99.83638119243685,
"volume_molar": 15.030718512746782,
"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.545606625,
"spacegroup": 139
}
]
}