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=941",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=939",
"results": [
{
"id": "jvasp-68490",
"created_at": "2022-09-04T14:36:03.373081Z",
"updated_at": "2022-09-04T14:36:03.373103Z",
"structure_string": "K2 Be2 Co1\n1.0\n-3.173049 3.173049 3.195705\n3.173049 -3.173049 3.195705\n3.173049 3.173049 -3.195705\nK Be Co\n2 2 1\ndirect\n0.750001 0.250000 0.500000 K\n0.250000 0.750001 0.500000 K\n0.669144 0.669144 0.000000 Be\n0.330858 0.330858 0.000000 Be\n0.000000 0.000000 0.000000 Co\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Be",
"Co"
],
"chemical_system": "Be-Co-K",
"density": 2.0018534831466117,
"density_atomic": 0.03884988819594352,
"volume": 128.7004990794818,
"volume_molar": 15.501050426777798,
"formula_full": "K2 Be2 Co1",
"formula_reduced": "K2Be2Co",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2792598200000005,
"spacegroup": 139
},
{
"id": "jvasp-118431",
"created_at": "2022-09-04T14:38:51.582269Z",
"updated_at": "2022-09-04T14:38:51.582296Z",
"structure_string": "Si1 H1 I1\n1.0\n3.032372 -0.000000 0.000000\n0.000000 3.032372 -0.000000\n0.000000 -0.000000 8.397770\nSi H I\n1 1 1\ndirect\n0.000000 0.000000 0.056172 Si\n0.000000 0.000000 0.237620 H\n0.000000 0.000000 0.607633 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"H",
"I"
],
"chemical_system": "H-I-Si",
"density": 3.354586120389296,
"density_atomic": 0.038850116290996384,
"volume": 77.21984607534516,
"volume_molar": 15.500959417708737,
"formula_full": "Si1 H1 I1",
"formula_reduced": "SiHI",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8107149583333333,
"spacegroup": 99
},
{
"id": "jvasp-111287",
"created_at": "2022-09-04T14:38:49.634923Z",
"updated_at": "2022-09-04T14:38:49.634950Z",
"structure_string": "Nd2 Ga1 Ag1\n1.0\n4.556081 -0.000000 2.630455\n1.518694 4.295515 2.630455\n-0.000000 -0.000000 5.260909\nNd Ga Ag\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Nd",
"density": 7.516880150400268,
"density_atomic": 0.0388501343623552,
"volume": 102.95974687479843,
"volume_molar": 15.500952207350156,
"formula_full": "Nd2 Ga1 Ag1",
"formula_reduced": "Nd2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.52729564625,
"spacegroup": 225
},
{
"id": "jvasp-36561",
"created_at": "2022-09-04T14:37:29.242420Z",
"updated_at": "2022-09-04T14:37:29.242447Z",
"structure_string": "Na1 Li2 As1\n1.0\n-11.444382 0.000001 -6.607417\n-7.190957 0.163208 -0.759733\n-6.288715 2.715128 -2.322457\nNa Li As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.317979 -0.000000 -0.000000 Li\n0.682022 -0.000001 -0.000000 Li\n0.500000 -0.000001 -0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"As"
],
"chemical_system": "As-Li-Na",
"density": 1.8030955495895042,
"density_atomic": 0.03885201878087637,
"volume": 102.95475307370305,
"volume_molar": 15.500200373022059,
"formula_full": "Na1 Li2 As1",
"formula_reduced": "NaLi2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7041051875000001,
"spacegroup": 71
},
{
"id": "jvasp-39438",
"created_at": "2022-09-04T14:38:00.614131Z",
"updated_at": "2022-09-04T14:38:00.614156Z",
"structure_string": "In3 Ge1\n1.0\n-0.000000 3.719933 3.719933\n3.719933 -0.000000 3.719933\n3.719933 3.719933 0.000000\nIn Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500001 0.500001 0.500001 In\n0.250000 0.250000 0.250000 In\n0.749999 0.749999 0.749999 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ge"
],
"chemical_system": "Ge-In",
"density": 6.7274068135915535,
"density_atomic": 0.0388530075189113,
"volume": 102.9521330633939,
"volume_molar": 15.499805921250202,
"formula_full": "In3 Ge1",
"formula_reduced": "In3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0012574999999999,
"spacegroup": 225
},
{
"id": "jvasp-107649",
"created_at": "2022-09-04T14:36:56.918260Z",
"updated_at": "2022-09-04T14:36:56.918291Z",
"structure_string": "Ce1 Pa3\n1.0\n4.686775 0.000000 0.000000\n0.000000 4.686775 0.000000\n0.000000 0.000000 4.686775\nCe Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500001 0.500001 Pa\n0.500001 0.000000 0.500001 Pa\n0.500001 0.500001 -0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pa"
],
"chemical_system": "Ce-Pa",
"density": 13.439662619827976,
"density_atomic": 0.03885417369650436,
"volume": 102.94904303575173,
"volume_molar": 15.499340706714866,
"formula_full": "Ce1 Pa3",
"formula_reduced": "CePa3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.110621200000001,
"spacegroup": 221
},
{
"id": "jvasp-81001",
"created_at": "2022-09-04T14:37:08.793995Z",
"updated_at": "2022-09-04T14:37:08.794025Z",
"structure_string": "Li2 Hg1 Pb1\n1.0\n-9.320667 0.000000 -5.381289\n-6.163676 -0.903067 -0.086780\n-4.735737 3.135752 -2.560040\nLi Hg Pb\n2 1 1\ndirect\n0.758611 0.000000 0.000000 Li\n0.241389 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pb"
],
"chemical_system": "Hg-Li-Pb",
"density": 6.802201923268676,
"density_atomic": 0.03885846579713417,
"volume": 102.93767182890174,
"volume_molar": 15.497628731508323,
"formula_full": "Li2 Hg1 Pb1",
"formula_reduced": "Li2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-115849",
"created_at": "2022-09-04T14:38:39.718425Z",
"updated_at": "2022-09-04T14:38:39.718439Z",
"structure_string": "Sr2 Cd2 P2\n1.0\n4.523965 -0.000000 -0.000000\n-2.261982 3.917868 0.000000\n0.000000 -0.000000 8.711407\nSr Cd P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.250000 Cd\n0.666666 0.333334 0.750000 Cd\n0.333334 0.666667 0.750000 P\n0.666666 0.333334 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"P"
],
"chemical_system": "Cd-P-Sr",
"density": 4.968698963504506,
"density_atomic": 0.038859204853920776,
"volume": 154.40357111153338,
"volume_molar": 15.49733398467206,
"formula_full": "Sr2 Cd2 P2",
"formula_reduced": "SrCdP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-10783",
"created_at": "2022-09-04T14:38:09.124385Z",
"updated_at": "2022-09-04T14:38:09.124402Z",
"structure_string": "Y4 Mg8\n1.0\n3.018114 -5.227526 -0.000000\n3.018114 5.227526 0.000000\n0.000000 -0.000000 9.786138\nY Mg\n4 8\ndirect\n0.333332 0.666666 0.065300 Y\n0.666666 0.333332 0.565300 Y\n0.666666 0.333332 0.934700 Y\n0.333332 0.666666 0.434700 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.342250 0.171125 0.250000 Mg\n0.171125 0.342250 0.750000 Mg\n0.171124 0.828874 0.750000 Mg\n0.828874 0.171124 0.250000 Mg\n0.828874 0.657749 0.250000 Mg\n0.657749 0.828874 0.750000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.957935322519523,
"density_atomic": 0.0388604721797765,
"volume": 308.7970713398835,
"volume_molar": 15.496828582371165,
"formula_full": "Y4 Mg8",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6676784404761904,
"spacegroup": 194
},
{
"id": "jvasp-118396",
"created_at": "2022-09-04T14:38:51.410755Z",
"updated_at": "2022-09-04T14:38:51.410774Z",
"structure_string": "Ge1 Pb1 S1\n1.0\n3.044633 -0.000000 0.000000\n-0.000000 3.044633 0.000000\n-0.000000 0.000000 8.327973\nGe Pb S\n1 1 1\ndirect\n0.000000 0.000000 0.381747 Ge\n0.000000 0.000000 0.004002 Pb\n0.000000 0.000000 0.661629 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-Pb-S",
"density": 6.709068486666373,
"density_atomic": 0.03886082763259405,
"volume": 77.19856170751717,
"volume_molar": 15.49668683574048,
"formula_full": "Ge1 Pb1 S1",
"formula_reduced": "GePbS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9683422566666666,
"spacegroup": 99
},
{
"id": "jvasp-28967",
"created_at": "2022-09-04T14:36:54.246524Z",
"updated_at": "2022-09-04T14:36:54.246544Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.311614 -0.000000 0.000000\n-1.655808 2.867962 0.000332\n0.000000 0.003544 32.512787\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333717 0.667437 0.738437 Te\n0.333873 0.667748 0.619856 Te\n0.666736 0.333473 0.274708 Mo\n0.332412 0.664825 0.078253 W\n0.333672 0.667347 0.470776 W\n0.667100 0.334201 0.679224 W\n0.333337 0.666677 0.326320 Se\n0.333442 0.666888 0.223076 Se\n0.665817 0.331633 0.031050 S\n0.667134 0.334270 0.423526 S\n0.665783 0.331568 0.125498 S\n0.666959 0.333920 0.518025 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.3930074493141795,
"density_atomic": 0.038860998034524266,
"volume": 308.7928927954746,
"volume_molar": 15.496618884182816,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.219946513888889,
"spacegroup": 156
},
{
"id": "jvasp-108972",
"created_at": "2022-09-04T14:38:17.576020Z",
"updated_at": "2022-09-04T14:38:17.576035Z",
"structure_string": "Na2 Tm1 Cu1 Cl6\n1.0\n6.182972 -0.000000 3.569740\n2.060991 5.829362 3.569740\n-0.000000 -0.000000 7.139481\nNa Tm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Cu\n0.745728 0.254272 0.254272 Cl\n0.254272 0.254272 0.745728 Cl\n0.254272 0.745728 0.745728 Cl\n0.254272 0.745728 0.254272 Cl\n0.745728 0.254272 0.745728 Cl\n0.745728 0.745728 0.254272 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Tm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Tm",
"density": 3.1695881463008218,
"density_atomic": 0.038861096682020514,
"volume": 257.32675744651857,
"volume_molar": 15.49657954657313,
"formula_full": "Na2 Tm1 Cu1 Cl6",
"formula_reduced": "Na2TmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}