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=3865",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3863",
"results": [
{
"id": "jvasp-116920",
"created_at": "2022-09-04T14:38:47.176863Z",
"updated_at": "2022-09-04T14:38:47.176890Z",
"structure_string": "Ba6 P12\n1.0\n12.226817 0.000000 0.000000\n-0.000000 5.159178 3.843983\n0.000000 0.002049 7.775897\nBa P\n6 12\ndirect\n0.838886 0.227336 0.667182 Ba\n0.338886 0.772665 0.832818 Ba\n0.161114 0.772665 0.332818 Ba\n0.661115 0.227336 0.167181 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.203888 0.323427 0.846492 P\n0.703888 0.676574 0.653508 P\n0.625975 0.819132 0.034899 P\n0.125975 0.180869 0.465100 P\n0.374025 0.180869 0.965100 P\n0.393482 0.065249 0.303915 P\n0.893482 0.934752 0.196085 P\n0.296112 0.323427 0.346492 P\n0.106518 0.065249 0.803915 P\n0.606518 0.934752 0.696085 P\n0.874025 0.819132 0.534900 P\n0.796112 0.676574 0.153508 P\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"P"
],
"chemical_system": "Ba-P",
"density": 4.048489147351328,
"density_atomic": 0.036703996621927665,
"volume": 490.40980973844296,
"volume_molar": 16.407316135165125,
"formula_full": "Ba6 P12",
"formula_reduced": "BaP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.38235899,
"spacegroup": 14
},
{
"id": "jvasp-537",
"created_at": "2022-09-04T14:36:06.014790Z",
"updated_at": "2022-09-04T14:36:06.014810Z",
"structure_string": "Ta3 Te6\n1.0\n1.845176 7.489681 -0.050370\n-1.845176 7.489681 -0.050370\n0.000000 3.547921 8.848295\nTa Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.361077 0.361077 0.290240 Ta\n0.638923 0.638923 0.709761 Ta\n0.352305 0.352305 0.013640 Te\n0.647695 0.647695 0.986360 Te\n0.704520 0.704520 0.379348 Te\n0.295479 0.295479 0.620653 Te\n0.005971 0.005971 0.692729 Te\n0.994028 0.994028 0.307272 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.860206653923345,
"density_atomic": 0.03670136719526471,
"volume": 245.22247228874892,
"volume_molar": 16.408491618200504,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.411128244444445,
"spacegroup": 12
},
{
"id": "jvasp-32942",
"created_at": "2022-09-04T14:37:06.726202Z",
"updated_at": "2022-09-04T14:37:06.726226Z",
"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Se",
"density": 6.569424051717926,
"density_atomic": 0.03670018902542226,
"volume": 326.973792742255,
"volume_molar": 16.409018372707717,
"formula_full": "Bi4 Se4 Cl4",
"formula_reduced": "BiSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4781605780555555,
"spacegroup": 62
},
{
"id": "jvasp-116313",
"created_at": "2022-09-04T14:38:41.266518Z",
"updated_at": "2022-09-04T14:38:41.266556Z",
"structure_string": "Mg2 Cl1\n1.0\n3.271829 0.000000 -1.217251\n0.000000 3.480595 0.000000\n-0.774880 0.000000 7.466535\nMg Cl\n2 1\ndirect\n-0.176919 0.000000 -0.175611 Mg\n-0.012889 0.000000 0.476260 Mg\n0.589808 0.000000 0.099351 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.7076206242953231,
"density_atomic": 0.03669937463951779,
"volume": 81.74526213233094,
"volume_molar": 16.409382500799822,
"formula_full": "Mg2 Cl1",
"formula_reduced": "Mg2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-29730",
"created_at": "2022-09-04T14:38:07.803479Z",
"updated_at": "2022-09-04T14:38:07.803498Z",
"structure_string": "Ta3 Te6\n1.0\n3.690441 0.000062 -0.000025\n-1.845241 6.978399 -2.718339\n0.000062 -0.031892 9.534985\nTa Te\n3 6\ndirect\n0.363027 0.720783 0.709039 Ta\n0.640836 0.276376 0.289518 Ta\n0.001914 0.998577 0.999274 Ta\n0.354194 0.703130 0.985539 Te\n0.649647 0.294032 0.013019 Te\n0.706422 0.407618 0.619882 Te\n0.996017 0.986757 0.692089 Te\n0.007855 0.010403 0.306467 Te\n0.297377 0.589546 0.378672 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.859604194956038,
"density_atomic": 0.03669887164762764,
"volume": 245.23914757967214,
"volume_molar": 16.409607406524433,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4111582444444446,
"spacegroup": 12
},
{
"id": "jvasp-110108",
"created_at": "2022-09-04T14:38:19.726815Z",
"updated_at": "2022-09-04T14:38:19.726827Z",
"structure_string": "Sm1 Mg5 Sb4\n1.0\n4.633276 -0.000000 0.000000\n-2.316638 4.012535 0.000000\n0.000000 -0.000000 14.658716\nSm Mg Sb\n1 5 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 0.325551 Mg\n0.666667 0.333334 0.674449 Mg\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666667 0.810633 Mg\n0.666667 0.333334 0.189367 Mg\n0.333334 0.666667 0.123592 Sb\n0.666667 0.333334 0.876408 Sb\n0.333334 0.666667 0.611878 Sb\n0.666667 0.333334 0.388122 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sm",
"density": 4.624289562439829,
"density_atomic": 0.03669416960784686,
"volume": 272.5228587230804,
"volume_molar": 16.41171015547984,
"formula_full": "Sm1 Mg5 Sb4",
"formula_reduced": "SmMg5Sb4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.3878098525000001,
"spacegroup": 164
},
{
"id": "jvasp-38612",
"created_at": "2022-09-04T14:38:02.925423Z",
"updated_at": "2022-09-04T14:38:02.925452Z",
"structure_string": "Ho2 Sb6\n1.0\n3.289467 -5.697523 0.000000\n3.289467 5.697523 0.000000\n0.000000 -0.000000 5.816633\nHo Sb\n2 6\ndirect\n0.333334 0.666667 0.750000 Ho\n0.666667 0.333334 0.250000 Ho\n0.649064 0.824532 0.250000 Sb\n0.175469 0.824532 0.250000 Sb\n0.175469 0.350937 0.250000 Sb\n0.350937 0.175469 0.750000 Sb\n0.824532 0.175469 0.750000 Sb\n0.824532 0.649064 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 8.076328777229449,
"density_atomic": 0.0366924496960544,
"volume": 218.02850630766838,
"volume_molar": 16.412479433466586,
"formula_full": "Ho2 Sb6",
"formula_reduced": "HoSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4641184666666665,
"spacegroup": 194
},
{
"id": "jvasp-4759",
"created_at": "2022-09-04T14:37:01.260470Z",
"updated_at": "2022-09-04T14:37:01.260504Z",
"structure_string": "Yb2 Nd2 Se6\n1.0\n4.099072 0.000000 0.000000\n-2.049536 7.165622 0.000000\n0.000000 0.000000 9.278882\nYb Nd Se\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.751098 0.502199 0.750000 Nd\n0.248900 0.497801 0.250000 Nd\n0.892418 0.784838 0.250000 Se\n0.107580 0.215161 0.750000 Se\n0.359117 0.718237 0.574345 Se\n0.640881 0.281763 0.425654 Se\n0.359117 0.718237 0.925654 Se\n0.640881 0.281763 0.074346 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"Se"
],
"chemical_system": "Nd-Se-Yb",
"density": 6.752751094949992,
"density_atomic": 0.036691452702536695,
"volume": 272.54303832207336,
"volume_molar": 16.412925399336,
"formula_full": "Yb2 Nd2 Se6",
"formula_reduced": "YbNdSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.72512046,
"spacegroup": 63
},
{
"id": "jvasp-107130",
"created_at": "2022-09-04T14:36:46.030428Z",
"updated_at": "2022-09-04T14:36:46.030450Z",
"structure_string": "Na3 In1 Cl6\n1.0\n6.302518 -0.000000 3.638761\n2.100839 5.942071 3.638761\n-0.000000 -0.000000 7.277521\nNa In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.755898 0.244102 0.244102 Cl\n0.244102 0.244102 0.755898 Cl\n0.244102 0.755898 0.755898 Cl\n0.244102 0.755898 0.244102 Cl\n0.755898 0.244102 0.755898 Cl\n0.755898 0.755898 0.244102 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"In",
"Cl"
],
"chemical_system": "Cl-In-Na",
"density": 2.41580960757126,
"density_atomic": 0.036691426882619976,
"volume": 272.5432301117951,
"volume_molar": 16.412936949183006,
"formula_full": "Na3 In1 Cl6",
"formula_reduced": "Na3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.014252,
"spacegroup": 225
},
{
"id": "jvasp-31060",
"created_at": "2022-09-04T14:38:34.333991Z",
"updated_at": "2022-09-04T14:38:34.334011Z",
"structure_string": "Er10 Sn6\n1.0\n4.416057 -7.648835 -0.000000\n4.416057 7.648835 0.000000\n0.000000 0.000000 6.455076\nEr Sn\n10 6\ndirect\n0.000001 0.762639 0.750000 Er\n0.000000 0.237361 0.250000 Er\n0.762640 0.762640 0.250000 Er\n0.762639 0.000001 0.750000 Er\n0.237361 0.237361 0.750000 Er\n0.237361 0.000000 0.250000 Er\n0.333333 0.666667 0.500000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.394641 0.000000 0.750000 Sn\n0.394641 0.394641 0.250000 Sn\n0.000000 0.605359 0.250000 Sn\n0.000000 0.394641 0.750000 Sn\n0.605360 0.605360 0.750000 Sn\n0.605359 0.000000 0.250000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Er",
"Sn"
],
"chemical_system": "Er-Sn",
"density": 9.081317244419038,
"density_atomic": 0.03669092529996008,
"volume": 436.0751294548957,
"volume_molar": 16.413161321953776,
"formula_full": "Er10 Sn6",
"formula_reduced": "Er5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.0860693874999998,
"spacegroup": 193
},
{
"id": "jvasp-37164",
"created_at": "2022-09-04T14:38:08.405925Z",
"updated_at": "2022-09-04T14:38:08.405945Z",
"structure_string": "Na1 Nd1 Se2\n1.0\n-2.132681 -3.693912 0.000000\n-4.265362 -0.000000 -0.000000\n-2.132681 -1.231304 -6.919832\nNa Nd Se\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.746656 0.746657 0.760028 Se\n0.253343 0.253343 0.239971 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Nd",
"Se"
],
"chemical_system": "Na-Nd-Se",
"density": 4.952189188382305,
"density_atomic": 0.0366878278890287,
"volume": 109.02798639644129,
"volume_molar": 16.414547021468366,
"formula_full": "Na1 Nd1 Se2",
"formula_reduced": "NaNdSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4859768083333332,
"spacegroup": 166
},
{
"id": "jvasp-100079",
"created_at": "2022-09-04T14:36:35.870472Z",
"updated_at": "2022-09-04T14:36:35.870488Z",
"structure_string": "K2 Li1 Eu1 Cl6\n1.0\n6.302756 0.000000 3.638898\n2.100918 5.942296 3.638898\n-0.000000 -0.000000 7.277796\nK Li Eu Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Eu\n0.742677 0.257323 0.257323 Cl\n0.257323 0.257323 0.742677 Cl\n0.257323 0.742677 0.742677 Cl\n0.257323 0.742677 0.257323 Cl\n0.742677 0.257323 0.742677 Cl\n0.742677 0.742677 0.257323 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Eu",
"Cl"
],
"chemical_system": "Cl-Eu-K-Li",
"density": 2.740329707083968,
"density_atomic": 0.03668726580738631,
"volume": 272.57414200615307,
"volume_molar": 16.414798506972826,
"formula_full": "K2 Li1 Eu1 Cl6",
"formula_reduced": "K2LiEuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}