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=volume_molar&page=3400",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3398",
"results": [
{
"id": "jvasp-70260",
"created_at": "2022-09-04T14:36:09.548707Z",
"updated_at": "2022-09-04T14:36:09.548733Z",
"structure_string": "Be2 Te1 Se1\n1.0\n-1.721224 1.721224 7.867275\n1.721224 -1.721224 7.867275\n1.721224 1.721224 -7.867275\nBe Te Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Te\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Te",
"Se"
],
"chemical_system": "Be-Se-Te",
"density": 4.000087628717274,
"density_atomic": 0.042904306126662885,
"volume": 93.23073511994637,
"volume_molar": 14.036215251264814,
"formula_full": "Be2 Te1 Se1",
"formula_reduced": "Be2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5519908333333332,
"spacegroup": 119
},
{
"id": "jvasp-110287",
"created_at": "2022-09-04T14:37:55.048788Z",
"updated_at": "2022-09-04T14:37:55.048821Z",
"structure_string": "Ba2 Ga7 Ag1\n1.0\n4.620785 -0.000000 0.000000\n0.000000 4.620785 0.000000\n0.000000 0.000000 10.916591\nBa Ga Ag\n2 7 1\ndirect\n0.499999 0.000000 0.747339 Ba\n-0.000000 0.499999 0.252661 Ba\n-0.000000 0.499999 0.872045 Ga\n0.499999 0.000000 0.371227 Ga\n0.499999 0.000000 0.127955 Ga\n-0.000000 0.499999 0.628773 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.500000 Ga\n0.499999 0.499999 -0.000000 Ag\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ba-Ga",
"density": 6.20212931015682,
"density_atomic": 0.04290238512573349,
"volume": 233.08727406863568,
"volume_molar": 14.036843738060218,
"formula_full": "Ba2 Ga7 Ag1",
"formula_reduced": "Ba2Ga7Ag",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-109428",
"created_at": "2022-09-04T14:38:20.064058Z",
"updated_at": "2022-09-04T14:38:20.064079Z",
"structure_string": "Tb1 Cd1 Hg2\n1.0\n4.407901 -0.000000 2.544903\n1.469300 4.155809 2.544903\n-0.000000 0.000000 5.089806\nTb Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tb",
"density": 11.977420701919474,
"density_atomic": 0.04290138875203468,
"volume": 93.23707498420531,
"volume_molar": 14.037169740138978,
"formula_full": "Tb1 Cd1 Hg2",
"formula_reduced": "TbCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2337",
"created_at": "2022-09-04T14:36:36.395557Z",
"updated_at": "2022-09-04T14:36:36.395579Z",
"structure_string": "Zn2 Sn2 P4\n1.0\n5.210863 0.000000 -2.330369\n-1.042173 5.105582 -2.330369\n0.005422 0.006641 7.003230\nZn Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.749999 0.250000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.352404 0.375000 0.250000 P\n0.125000 0.647595 0.750000 P\n0.624999 0.102404 0.750000 P\n0.897596 0.875000 0.250000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"P"
],
"chemical_system": "P-Sn-Zn",
"density": 4.382304496048187,
"density_atomic": 0.04290035736434129,
"volume": 186.47863308126162,
"volume_molar": 14.037507214346876,
"formula_full": "Zn2 Sn2 P4",
"formula_reduced": "ZnSnP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.142140775,
"spacegroup": 122
},
{
"id": "jvasp-8367",
"created_at": "2022-09-04T14:37:04.804242Z",
"updated_at": "2022-09-04T14:37:04.804269Z",
"structure_string": "Ca3 Bi1 N1\n1.0\n4.884716 0.000000 -0.000000\n0.000000 4.884716 0.000000\n0.000000 0.000000 4.884716\nCa Bi N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"N"
],
"chemical_system": "Bi-Ca-N",
"density": 4.889957902371887,
"density_atomic": 0.04289948200844069,
"volume": 116.55152383929077,
"volume_molar": 14.037793647054093,
"formula_full": "Ca3 Bi1 N1",
"formula_reduced": "Ca3BiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7722037619999998,
"spacegroup": 221
},
{
"id": "jvasp-79453",
"created_at": "2022-09-04T14:37:18.895239Z",
"updated_at": "2022-09-04T14:37:18.895268Z",
"structure_string": "Ho2 Au2\n1.0\n-3.711726 0.000000 0.000000\n0.000000 0.000000 -4.615301\n1.855863 -5.442991 0.000000\nHo Au\n2 2\ndirect\n0.861647 0.750000 0.723294 Ho\n0.138354 0.250000 0.276706 Ho\n0.590925 0.750000 0.181847 Au\n0.409077 0.250000 0.818153 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Au"
],
"chemical_system": "Au-Ho",
"density": 12.889924915803702,
"density_atomic": 0.042898927631083654,
"volume": 93.24242401578553,
"volume_molar": 14.037975055666623,
"formula_full": "Ho2 Au2",
"formula_reduced": "HoAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.1281115683333333,
"spacegroup": 63
},
{
"id": "jvasp-110070",
"created_at": "2022-09-04T14:38:47.404769Z",
"updated_at": "2022-09-04T14:38:47.404794Z",
"structure_string": "Ce4 Sc2 Si4\n1.0\n7.293852 0.000000 0.000000\n0.000000 7.293852 0.000000\n0.000000 0.000000 4.381774\nCe Sc Si\n4 2 4\ndirect\n0.678421 0.178421 0.500000 Ce\n0.321579 0.821578 0.500000 Ce\n0.178421 0.321579 0.500000 Ce\n0.821578 0.678421 0.500000 Ce\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 -0.000000 Sc\n0.120290 0.620290 -0.000000 Si\n0.879709 0.379710 -0.000000 Si\n0.620290 0.879709 -0.000000 Si\n0.379710 0.120290 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sc",
"Si"
],
"chemical_system": "Ce-Sc-Si",
"density": 5.4331178496883465,
"density_atomic": 0.042897909866858874,
"volume": 233.11159054221383,
"volume_molar": 14.038308110326966,
"formula_full": "Ce4 Sc2 Si4",
"formula_reduced": "Ce2ScSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6857606899999995,
"spacegroup": 127
},
{
"id": "jvasp-9440",
"created_at": "2022-09-04T14:37:09.977904Z",
"updated_at": "2022-09-04T14:37:09.977934Z",
"structure_string": "Al4 Cd2 Se8\n1.0\n6.692758 0.000000 3.864065\n2.230919 6.309993 3.864065\n0.000000 0.000000 7.728131\nAl Cd Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.875001 0.875000 0.875001 Cd\n0.125000 0.125000 0.125000 Cd\n0.263613 0.263613 0.709162 Se\n0.736388 0.736387 0.736388 Se\n0.263613 0.263613 0.263613 Se\n0.736388 0.736387 0.290839 Se\n0.290838 0.736387 0.736388 Se\n0.736388 0.290838 0.736388 Se\n0.709162 0.263613 0.263613 Se\n0.263613 0.709162 0.263613 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.9069372371052316,
"density_atomic": 0.042896273055509214,
"volume": 326.3686796725564,
"volume_molar": 14.038843776024896,
"formula_full": "Al4 Cd2 Se8",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0308969738095235,
"spacegroup": 227
},
{
"id": "jvasp-34644",
"created_at": "2022-09-04T14:37:13.258552Z",
"updated_at": "2022-09-04T14:37:13.258581Z",
"structure_string": "Ba2 C2 S2 N2 Cl2\n1.0\n0.000000 5.911953 0.028487\n4.629109 0.000000 0.000000\n0.000000 -1.392384 -8.525015\nBa C S N Cl\n2 2 2 2 2\ndirect\n0.208939 0.250000 0.300030 Ba\n0.791061 0.750000 0.699970 Ba\n0.604773 0.750000 0.151138 C\n0.395228 0.250000 0.848862 C\n0.140178 0.250000 0.896853 S\n0.859823 0.750000 0.103147 S\n0.419412 0.750000 0.186103 N\n0.580588 0.250000 0.813897 N\n0.253733 0.750000 0.553592 Cl\n0.746267 0.250000 0.446408 Cl\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "Ba-C-Cl-N-S",
"density": 3.288900204412417,
"density_atomic": 0.04289615802185405,
"volume": 233.12111063432206,
"volume_molar": 14.038881423674203,
"formula_full": "Ba2 C2 S2 N2 Cl2",
"formula_reduced": "BaCSNCl",
"formula_anonymous": "ABCDE",
"energy_above_hull": 2.5108446575,
"spacegroup": 11
},
{
"id": "jvasp-115049",
"created_at": "2022-09-04T14:38:44.363653Z",
"updated_at": "2022-09-04T14:38:44.363679Z",
"structure_string": "Tl1 Ge1 S2\n1.0\n4.024580 0.000000 0.000000\n0.000000 4.024580 0.000000\n-0.000000 0.000000 5.757123\nTl Ge S\n1 1 2\ndirect\n0.500000 0.500000 0.525489 Tl\n0.000000 0.000000 0.027959 Ge\n0.000000 0.000000 0.445941 S\n0.500000 0.500000 0.010609 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 6.07508049282928,
"density_atomic": 0.04289565994969545,
"volume": 93.2495269845685,
"volume_molar": 14.039044432612249,
"formula_full": "Tl1 Ge1 S2",
"formula_reduced": "TlGeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9202121374999996,
"spacegroup": 99
},
{
"id": "jvasp-18215",
"created_at": "2022-09-04T14:38:12.665953Z",
"updated_at": "2022-09-04T14:38:12.665968Z",
"structure_string": "Nd3 Sn3 Pd3\n1.0\n3.830329 -6.634325 0.000000\n3.830329 6.634325 0.000000\n-0.000000 -0.000000 4.128316\nNd Sn Pd\n3 3 3\ndirect\n0.410165 -0.000000 0.000000 Nd\n0.589835 0.589835 0.000000 Nd\n-0.000000 0.410165 0.000000 Nd\n0.253311 0.253311 0.500000 Sn\n0.746689 -0.000000 0.500000 Sn\n-0.000000 0.746689 0.500000 Sn\n0.666667 0.333333 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Pd"
],
"chemical_system": "Nd-Pd-Sn",
"density": 8.76997940185624,
"density_atomic": 0.04289500864050087,
"volume": 209.81462144997272,
"volume_molar": 14.03925759864279,
"formula_full": "Nd3 Sn3 Pd3",
"formula_reduced": "NdSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7943296333333332,
"spacegroup": 189
},
{
"id": "jvasp-94256",
"created_at": "2022-09-04T14:36:07.484120Z",
"updated_at": "2022-09-04T14:36:07.484145Z",
"structure_string": "Mg6 Zr1 Bi1\n1.0\n6.326476 0.939092 0.000000\n-2.349962 5.948435 0.000000\n0.000000 0.000000 4.681413\nMg Zr Bi\n6 1 1\ndirect\n0.156406 0.870789 0.250000 Mg\n0.629212 0.343595 0.250000 Mg\n0.674688 0.825313 0.250000 Mg\n0.384141 0.673338 0.750000 Mg\n0.826663 0.115860 0.750000 Mg\n0.891366 0.608635 0.750000 Mg\n0.112936 0.387064 0.250000 Zr\n0.324593 0.175408 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Bi"
],
"chemical_system": "Bi-Mg-Zr",
"density": 3.971248215097744,
"density_atomic": 0.04289429829175871,
"volume": 186.50497428785403,
"volume_molar": 14.03949009502047,
"formula_full": "Mg6 Zr1 Bi1",
"formula_reduced": "Mg6ZrBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0097216374999999,
"spacegroup": 38
}
]
}