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=-nsites&page=1538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1536",
"results": [
{
"id": "jvasp-86639",
"created_at": "2022-09-04T14:35:48.310630Z",
"updated_at": "2022-09-04T14:35:48.310660Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019722 0.000000 0.000000\n0.000000 5.268761 -0.998451\n0.000000 -0.001570 7.567430\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.175585 0.737088 La\n0.250000 0.824415 0.262912 La\n0.750000 0.347951 0.358902 C\n0.250000 0.652049 0.641098 C\n0.250000 0.431163 0.659356 N\n0.250000 0.876401 0.618975 N\n0.750000 0.123599 0.381025 N\n0.750000 0.568837 0.340644 N\n0.750000 0.744036 0.956182 Cl\n0.250000 0.255964 0.043818 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.442553957923655,
"density_atomic": 0.06239706259178829,
"volume": 160.26395449769203,
"volume_molar": 9.651320927393366,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6242011135,
"spacegroup": 11
},
{
"id": "jvasp-105904",
"created_at": "2022-09-04T14:36:01.427278Z",
"updated_at": "2022-09-04T14:36:01.427296Z",
"structure_string": "Sr2 Dy1 U1 O6\n1.0\n5.317198 0.000000 3.069885\n1.772399 5.013102 3.069885\n0.000000 0.000000 6.139772\nSr Dy U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 U\n0.754397 0.245603 0.245603 O\n0.245604 0.754396 0.754397 O\n0.245604 0.754397 0.245604 O\n0.754398 0.245603 0.754397 O\n0.245604 0.245603 0.754397 O\n0.754398 0.754397 0.245603 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"U",
"O"
],
"chemical_system": "Dy-O-Sr-U",
"density": 6.815928919914051,
"density_atomic": 0.06110241593163239,
"volume": 163.6596499095718,
"volume_molar": 9.855814484877627,
"formula_full": "Sr2 Dy1 U1 O6",
"formula_reduced": "Sr2DyUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.140342612,
"spacegroup": 225
},
{
"id": "jvasp-12016",
"created_at": "2022-09-04T14:36:04.621390Z",
"updated_at": "2022-09-04T14:36:04.621415Z",
"structure_string": "Pd2 Se2 O6\n1.0\n4.716685 0.111629 -1.686936\n-0.639674 4.674390 -1.686782\n-0.145417 -0.170441 6.968985\nPd Se O\n2 2 6\ndirect\n0.499999 -0.000000 -0.000001 Pd\n0.000000 0.500000 -0.000000 Pd\n0.323082 0.323095 0.633447 Se\n0.676918 0.676905 0.366551 Se\n0.964713 0.571444 0.293294 O\n0.571435 0.964705 0.293290 O\n0.393813 0.393803 0.139917 O\n0.035285 0.428557 0.706705 O\n0.606187 0.606198 0.860082 O\n0.428563 0.035295 0.706710 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 5.116362125650812,
"density_atomic": 0.06601184881546301,
"volume": 151.4879552602008,
"volume_molar": 9.122817900215118,
"formula_full": "Pd2 Se2 O6",
"formula_reduced": "PdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.056995913333333,
"spacegroup": 12
},
{
"id": "jvasp-85817",
"created_at": "2022-09-04T14:36:03.427448Z",
"updated_at": "2022-09-04T14:36:03.427464Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.532613828927082,
"density_atomic": 0.09050215894874936,
"volume": 110.494601633348,
"volume_molar": 6.654140442561475,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7728612149425285,
"spacegroup": 12
},
{
"id": "jvasp-106122",
"created_at": "2022-09-04T14:36:01.450594Z",
"updated_at": "2022-09-04T14:36:01.450619Z",
"structure_string": "Ca1 La1 V1 Fe1 O6\n1.0\n4.651139 0.000000 2.685336\n1.550380 4.385136 2.685336\n-0.000000 0.000000 5.370673\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.749610 0.749610 0.250391 O\n0.250390 0.749610 0.250390 O\n0.749610 0.250391 0.250391 O\n0.250390 0.250391 0.749610 O\n0.749610 0.250391 0.749610 O\n0.250390 0.749610 0.749610 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"V",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-O-V",
"density": 5.787295654166322,
"density_atomic": 0.09129119744405445,
"volume": 109.53958629065252,
"volume_molar": 6.596628074344757,
"formula_full": "Ca1 La1 V1 Fe1 O6",
"formula_reduced": "CaLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.562332612,
"spacegroup": 216
},
{
"id": "jvasp-12172",
"created_at": "2022-09-04T14:36:01.276277Z",
"updated_at": "2022-09-04T14:36:01.276313Z",
"structure_string": "Cr1 P2 S7\n1.0\n4.283543 4.665783 0.033660\n-4.283543 4.665783 -0.033660\n-0.831536 0.000000 6.099696\nCr P S\n1 2 7\ndirect\n0.491862 0.491862 0.000000 Cr\n0.044043 0.655267 0.079681 P\n0.655267 0.044043 0.920320 P\n0.140580 0.506147 0.818895 S\n0.531169 0.807102 0.764251 S\n0.317826 0.633412 0.284859 S\n0.992087 0.992087 0.000000 S\n0.633411 0.317826 0.715142 S\n0.807102 0.531169 0.235749 S\n0.506147 0.140581 0.181105 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"P",
"S"
],
"chemical_system": "Cr-P-S",
"density": 2.302220148946212,
"density_atomic": 0.04097030194263868,
"volume": 244.07923607691998,
"volume_molar": 14.698795162484823,
"formula_full": "Cr1 P2 S7",
"formula_reduced": "CrP2S7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.8461768400000005,
"spacegroup": 5
},
{
"id": "jvasp-107771",
"created_at": "2022-09-04T14:36:01.379399Z",
"updated_at": "2022-09-04T14:36:01.379409Z",
"structure_string": "Ce2 Al6 Cu1 Au1\n1.0\n4.286544 0.000000 0.000000\n0.000000 4.286544 0.000000\n0.000000 -0.000000 10.722721\nCe Al Cu Au\n2 6 1 1\ndirect\n0.000000 0.000000 0.999897 Ce\n0.499999 0.499999 0.490837 Ce\n0.499999 0.000000 0.245929 Al\n-0.000000 0.499999 0.759401 Al\n-0.000000 0.499999 0.245929 Al\n0.499999 0.000000 0.759401 Al\n0.000000 0.000000 0.397381 Al\n0.499999 0.499999 0.912175 Al\n0.499999 0.499999 0.133677 Cu\n0.000000 0.000000 0.629374 Au\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Cu",
"Au"
],
"chemical_system": "Al-Au-Ce-Cu",
"density": 5.921865747702929,
"density_atomic": 0.050755185811386674,
"volume": 197.02420235759533,
"volume_molar": 11.865074797241629,
"formula_full": "Ce2 Al6 Cu1 Au1",
"formula_reduced": "Ce2Al6CuAu",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.680953582,
"spacegroup": 99
},
{
"id": "jvasp-105701",
"created_at": "2022-09-04T14:36:01.158954Z",
"updated_at": "2022-09-04T14:36:01.158979Z",
"structure_string": "Al2 Pd2 O6\n1.0\n3.205229 0.000000 -0.000000\n-1.602615 2.775810 0.000000\n-0.000000 -0.000000 11.868151\nAl Pd O\n2 2 6\ndirect\n0.333334 0.666667 0.250000 Al\n0.666668 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.333334 0.666667 0.087190 O\n0.333334 0.666667 0.412810 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666668 0.333333 0.587189 O\n0.666668 0.333333 0.912810 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Pd",
"O"
],
"chemical_system": "Al-O-Pd",
"density": 5.7053709606643395,
"density_atomic": 0.0947039595816999,
"volume": 105.5922059032086,
"volume_molar": 6.358911271080252,
"formula_full": "Al2 Pd2 O6",
"formula_reduced": "AlPdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8964278,
"spacegroup": 194
},
{
"id": "jvasp-62203",
"created_at": "2022-09-04T14:35:48.475119Z",
"updated_at": "2022-09-04T14:35:48.475131Z",
"structure_string": "Cr2 B8\n1.0\n2.857851 0.000000 0.000000\n0.000000 4.740653 -0.000000\n0.000000 -0.000000 5.466544\nCr B\n2 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.165246 0.366524 B\n0.000000 0.834754 0.633476 B\n0.500000 0.334754 0.866523 B\n0.500000 0.665246 0.133476 B\n0.000000 0.223239 0.678863 B\n0.000000 0.776761 0.321137 B\n0.500000 0.276761 0.178863 B\n0.500000 0.723238 0.821136 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 4.270791188479754,
"density_atomic": 0.13502351269308205,
"volume": 74.06117498017329,
"volume_molar": 4.460068205815937,
"formula_full": "Cr2 B8",
"formula_reduced": "CrB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.775429546666667,
"spacegroup": 58
},
{
"id": "jvasp-87122",
"created_at": "2022-09-04T14:36:01.146469Z",
"updated_at": "2022-09-04T14:36:01.146484Z",
"structure_string": "Ba6 Na2 N2\n1.0\n8.401882 0.000000 -0.000000\n-4.200942 7.276244 0.000000\n-0.000000 0.000000 6.939819\nBa Na N\n6 2 2\ndirect\n0.854329 0.708657 0.250000 Ba\n0.708657 0.854329 0.750000 Ba\n0.854329 0.145671 0.250000 Ba\n0.145671 0.854329 0.750000 Ba\n0.145671 0.291342 0.750000 Ba\n0.291342 0.145671 0.250000 Ba\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Na",
"N"
],
"chemical_system": "Ba-N-Na",
"density": 3.5145656913165775,
"density_atomic": 0.02357045816199958,
"volume": 424.2598905490117,
"volume_molar": 25.549527797083417,
"formula_full": "Ba6 Na2 N2",
"formula_reduced": "Ba3NaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7214760319999999,
"spacegroup": 194
},
{
"id": "jvasp-99259",
"created_at": "2022-09-04T14:36:05.146927Z",
"updated_at": "2022-09-04T14:36:05.146954Z",
"structure_string": "Eu2 Zn4 Sn4\n1.0\n4.490540 0.000000 -0.000000\n-0.000000 4.490540 0.000000\n-0.000000 -0.000000 11.563060\nEu Zn Sn\n2 4 4\ndirect\n0.750000 0.750000 0.255348 Eu\n0.250000 0.250000 0.744652 Eu\n0.250000 0.750000 0.000000 Zn\n0.750000 0.250000 0.000000 Zn\n0.250000 0.250000 0.358455 Zn\n0.750000 0.750000 0.641545 Zn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.250000 0.250000 0.137546 Sn\n0.750000 0.750000 0.862454 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sn"
],
"chemical_system": "Eu-Sn-Zn",
"density": 7.4093684714088015,
"density_atomic": 0.04288743593157048,
"volume": 233.16852086834032,
"volume_molar": 14.04173653470143,
"formula_full": "Eu2 Zn4 Sn4",
"formula_reduced": "Eu(ZnSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0070579999999999,
"spacegroup": 129
},
{
"id": "jvasp-105635",
"created_at": "2022-09-04T14:36:01.637888Z",
"updated_at": "2022-09-04T14:36:01.637911Z",
"structure_string": "K2 As1 Au1 Cl6\n1.0\n6.297871 -0.000000 3.636078\n2.099291 5.937690 3.636078\n-0.000000 -0.000000 7.272156\nK As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500001 Au\n0.755661 0.244339 0.244339 Cl\n0.244339 0.244339 0.755662 Cl\n0.244339 0.755661 0.755662 Cl\n0.244339 0.755661 0.244339 Cl\n0.755661 0.244339 0.755662 Cl\n0.755661 0.755661 0.244340 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"As",
"Au",
"Cl"
],
"chemical_system": "As-Au-Cl-K",
"density": 3.4366147976634047,
"density_atomic": 0.036772701195754,
"volume": 271.9408603345859,
"volume_molar": 16.376661393303774,
"formula_full": "K2 As1 Au1 Cl6",
"formula_reduced": "K2AsAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0701629724999999,
"spacegroup": 225
}
]
}