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=-updated_at&page=134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=132",
"results": [
{
"id": "jvasp-118104",
"created_at": "2022-09-04T14:38:51.900444Z",
"updated_at": "2022-09-04T14:38:51.900469Z",
"structure_string": "Cl2 O2\n1.0\n4.266068 0.152181 -0.242044\n0.602222 -3.287246 -0.098045\n-1.408353 -3.790752 -4.571041\nCl O\n2 2\ndirect\n0.001999 0.232804 0.069333 Cl\n0.502055 0.232958 0.569387 Cl\n0.236144 0.098987 0.722206 O\n0.736042 0.099035 0.222097 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.643932477276902,
"density_atomic": 0.061890732185862475,
"volume": 64.63003197292451,
"volume_molar": 9.730278746606297,
"formula_full": "Cl2 O2",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 0.99210878375,
"spacegroup": 8
},
{
"id": "jvasp-118917",
"created_at": "2022-09-04T14:38:51.900165Z",
"updated_at": "2022-09-04T14:38:51.900192Z",
"structure_string": "Au1 C1 S1\n1.0\n4.203913 -0.000000 0.000000\n-2.101956 3.640695 -0.000000\n-0.000000 0.000000 3.248113\nAu C S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.000000 C\n0.666667 0.333334 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Au",
"C",
"S"
],
"chemical_system": "Au-C-S",
"density": 8.051432522250867,
"density_atomic": 0.060346502943090755,
"volume": 49.712905532059146,
"volume_molar": 9.979270490088096,
"formula_full": "Au1 C1 S1",
"formula_reduced": "AuCS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.10265919,
"spacegroup": 187
},
{
"id": "jvasp-117624",
"created_at": "2022-09-04T14:38:51.897868Z",
"updated_at": "2022-09-04T14:38:51.897896Z",
"structure_string": "Ba1 Se1\n1.0\n4.470795 -1.111017 0.912268\n1.195169 -4.480962 0.739867\n-1.229324 1.415219 -4.305892\nBa Se\n1 1\ndirect\n0.921710 0.745823 0.047399 Ba\n0.421732 0.245857 0.547365 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.893669673754848,
"density_atomic": 0.02725116869574159,
"volume": 73.39134781080162,
"volume_molar": 22.098651354138262,
"formula_full": "Ba1 Se1",
"formula_reduced": "BaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119691",
"created_at": "2022-09-04T14:38:51.897152Z",
"updated_at": "2022-09-04T14:38:51.897179Z",
"structure_string": "Co4 Ag4 O12\n1.0\n4.968134 -0.320799 0.180256\n0.279870 5.706869 1.244460\n-0.311778 -0.030507 7.682234\nCo Ag O\n4 4 12\ndirect\n0.500051 0.825359 0.662646 Co\n0.499949 0.174645 0.337356 Co\n0.000052 0.325358 0.162647 Co\n-0.000053 0.674645 0.837354 Co\n-0.001438 0.726399 0.364171 Ag\n0.498557 0.226397 0.864171 Ag\n0.001441 0.273602 0.635827 Ag\n0.501439 0.773600 0.135829 Ag\n0.886430 0.366224 0.927234 O\n0.386430 0.866225 0.427233 O\n0.299361 0.554402 0.740297 O\n0.799362 0.054404 0.240297 O\n0.700637 0.445596 0.259703 O\n0.311321 0.167734 0.127239 O\n0.113570 0.633775 0.072766 O\n0.613566 0.133772 0.572766 O\n0.188679 0.332265 0.372762 O\n0.811320 0.667734 0.627237 O\n0.200639 0.945596 0.759702 O\n0.688677 0.832264 0.872763 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-O",
"density": 6.510822245136544,
"density_atomic": 0.09126899898740803,
"volume": 219.1324570433747,
"volume_molar": 6.598232506999279,
"formula_full": "Co4 Ag4 O12",
"formula_reduced": "CoAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.039047732,
"spacegroup": 148
},
{
"id": "jvasp-117234",
"created_at": "2022-09-04T14:38:51.895379Z",
"updated_at": "2022-09-04T14:38:51.895401Z",
"structure_string": "Mg8 Fe3 N8\n1.0\n8.143857 0.029550 2.230913\n1.134504 4.175904 0.000000\n-0.005692 0.001546 6.586352\nMg Fe N\n8 3 8\ndirect\n0.061750 0.969125 0.756477 Mg\n0.938250 0.030875 0.243523 Mg\n0.674792 0.662603 0.463934 Mg\n0.325208 0.337397 0.536065 Mg\n0.822673 0.588664 0.965652 Mg\n0.177327 0.411336 0.034347 Mg\n0.622003 0.189000 0.792102 Mg\n0.377997 0.811000 0.207897 Mg\n0.616290 0.191855 0.207719 Fe\n0.383710 0.808145 0.792281 Fe\n-0.000000 0.500000 0.500000 Fe\n0.201776 0.899111 0.014542 N\n0.798225 0.100889 0.985457 N\n0.347645 0.826177 0.544479 N\n0.652355 0.173823 0.455520 N\n0.591438 0.704280 0.813938 N\n0.408562 0.295719 0.186061 N\n0.067503 0.466248 0.744830 N\n0.932498 0.533751 0.255170 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 3.5167856291006943,
"density_atomic": 0.08488791260309177,
"volume": 223.82456367890458,
"volume_molar": 7.094226463262878,
"formula_full": "Mg8 Fe3 N8",
"formula_reduced": "Mg8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 2.9351492052631576,
"spacegroup": 12
},
{
"id": "jvasp-123558",
"created_at": "2022-09-04T14:38:51.891173Z",
"updated_at": "2022-09-04T14:38:51.891202Z",
"structure_string": "P3 Br1\n1.0\n3.162510 -0.000000 -1.012675\n-0.054678 4.469621 -0.170757\n0.136144 -0.405804 5.869645\nP Br\n3 1\ndirect\n0.654113 0.236137 0.308225 P\n0.095894 0.513974 0.191788 P\n0.874991 0.374946 0.749984 P\n0.374999 0.874945 0.750001 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.4433840836103267,
"density_atomic": 0.04799423540236144,
"volume": 83.34334251740553,
"volume_molar": 12.547633501217723,
"formula_full": "P3 Br1",
"formula_reduced": "P3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 2.26866265125,
"spacegroup": 12
},
{
"id": "jvasp-113989",
"created_at": "2022-09-04T14:38:51.891139Z",
"updated_at": "2022-09-04T14:38:51.891158Z",
"structure_string": "Cu2 B1 N2\n1.0\n2.627362 -0.000000 0.000000\n-0.000000 2.627362 0.000000\n-0.000000 -0.000000 6.744163\nCu B N\n2 1 2\ndirect\n0.500000 0.500000 0.828803 Cu\n0.500000 0.500000 0.171197 Cu\n0.000000 0.000000 0.500000 B\n0.000000 0.500000 0.375550 N\n0.500000 0.000000 0.624450 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 5.9179395753356685,
"density_atomic": 0.10739946486351556,
"volume": 46.55516679113863,
"volume_molar": 5.607235350430288,
"formula_full": "Cu2 B1 N2",
"formula_reduced": "Cu2BN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9676459966666666,
"spacegroup": 115
},
{
"id": "jvasp-119125",
"created_at": "2022-09-04T14:38:51.890045Z",
"updated_at": "2022-09-04T14:38:51.890060Z",
"structure_string": "Y4 Co16 B3 C1\n1.0\n4.941314 0.000000 0.000000\n-2.470657 4.279303 0.000000\n-0.000000 -0.000000 13.599392\nY Co B C\n4 16 3 1\ndirect\n0.333332 0.666666 0.748319 Y\n0.333332 0.666666 0.251681 Y\n0.333332 0.666666 0.500000 Y\n0.333332 0.666666 -0.000000 Y\n0.000000 0.000000 0.252371 Co\n0.000000 0.000000 0.747629 Co\n0.666666 0.333333 0.250637 Co\n0.666666 0.333333 0.749363 Co\n0.833489 0.666979 0.891038 Co\n0.831391 0.662784 0.396398 Co\n0.833489 0.166510 0.891038 Co\n0.831392 0.168607 0.396398 Co\n0.333020 0.166510 0.891038 Co\n0.337215 0.168607 0.396398 Co\n0.833489 0.666979 0.108962 Co\n0.831391 0.662784 0.603602 Co\n0.833489 0.166510 0.108962 Co\n0.831392 0.168607 0.603602 Co\n0.333020 0.166510 0.108962 Co\n0.337215 0.168607 0.603602 Co\n0.666666 0.333333 -0.000000 B\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.666666 0.333333 0.500000 C\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Co",
"B",
"C"
],
"chemical_system": "B-C-Co-Y",
"density": 7.75513837844984,
"density_atomic": 0.0834595922745616,
"volume": 287.5643092173981,
"volume_molar": 7.21563644858057,
"formula_full": "Y4 Co16 B3 C1",
"formula_reduced": "Y4Co16B3C",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 4.435575997916667,
"spacegroup": 187
},
{
"id": "jvasp-119663",
"created_at": "2022-09-04T14:38:51.886806Z",
"updated_at": "2022-09-04T14:38:51.886831Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n5.190365 -0.038025 3.656188\n0.048927 5.190273 3.656188\n0.012428 0.012221 7.339726\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500001 Mn\n0.500000 0.499999 0.000001 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500000 0.499999 0.500001 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000001 Ru\n0.871061 0.519361 0.310590 O\n0.519362 0.871060 0.310590 O\n0.175989 0.175988 0.519592 O\n0.822439 0.822437 0.870949 O\n0.177561 0.177561 0.129053 O\n0.702966 0.310820 0.817138 O\n0.310821 0.702965 0.817138 O\n0.297034 0.689179 0.182864 O\n0.128939 0.480637 0.689412 O\n0.689179 0.297033 0.182864 O\n0.824011 0.824010 0.480410 O\n0.480638 0.128938 0.689412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 6.184483617286725,
"density_atomic": 0.10138170461078377,
"volume": 197.2742525565371,
"volume_molar": 5.940066586096282,
"formula_full": "Ca1 Mn2 Cu3 Ru2 O12",
"formula_reduced": "CaMn2Cu3(RuO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.750664462637931,
"spacegroup": 12
},
{
"id": "jvasp-121041",
"created_at": "2022-09-04T14:38:51.886247Z",
"updated_at": "2022-09-04T14:38:51.886266Z",
"structure_string": "Sr1 Sn1 F1\n1.0\n5.184284 -0.012892 0.000000\n0.011518 4.786761 0.000000\n0.000000 0.000000 3.658276\nSr Sn F\n1 1 1\ndirect\n-0.083748 0.420025 0.000000 Sr\n0.416316 -0.079992 0.000000 Sn\n-0.083649 -0.079984 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"F"
],
"chemical_system": "F-Sn-Sr",
"density": 4.121501302533725,
"density_atomic": 0.03304544918768429,
"volume": 90.78405873562978,
"volume_molar": 18.223812682335673,
"formula_full": "Sr1 Sn1 F1",
"formula_reduced": "SrSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-113993",
"created_at": "2022-09-04T14:38:51.883762Z",
"updated_at": "2022-09-04T14:38:51.883786Z",
"structure_string": "Cu1 B1 O2\n1.0\n2.521894 0.000000 0.000000\n0.000000 2.521894 0.000000\n-0.000000 0.000000 5.243028\nCu B O\n1 1 2\ndirect\n0.499999 0.499999 0.595165 Cu\n0.000000 0.000000 0.095612 B\n0.000000 0.000000 0.342032 O\n0.499999 0.499999 0.977192 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 5.296322747647263,
"density_atomic": 0.11995660267796991,
"volume": 33.34539250614007,
"volume_molar": 5.020266184235617,
"formula_full": "Cu1 B1 O2",
"formula_reduced": "CuBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0185100083333336,
"spacegroup": 99
},
{
"id": "jvasp-119530",
"created_at": "2022-09-04T14:38:51.883501Z",
"updated_at": "2022-09-04T14:38:51.883519Z",
"structure_string": "Nd4 Co4 O12\n1.0\n5.363810 -0.000000 0.000000\n0.000000 5.406317 0.000000\n-0.000000 -0.000000 7.590947\nNd Co O\n4 4 12\ndirect\n0.009217 0.953573 0.750000 Nd\n0.490783 0.453572 0.750000 Nd\n0.509217 0.546428 0.250000 Nd\n0.990783 0.046428 0.250000 Nd\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.424258 0.989980 0.250000 O\n0.075742 0.489980 0.250000 O\n0.710412 0.288861 0.040158 O\n0.789588 0.788861 0.459842 O\n0.210412 0.211140 0.959842 O\n0.789588 0.788861 0.040158 O\n0.289588 0.711140 0.959842 O\n0.210412 0.211140 0.540158 O\n0.575742 0.010020 0.750000 O\n0.710412 0.288861 0.459842 O\n0.289588 0.711140 0.540158 O\n0.924258 0.510020 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Co",
"O"
],
"chemical_system": "Co-Nd-O",
"density": 7.578999401343522,
"density_atomic": 0.09085715712569647,
"volume": 220.1257515941311,
"volume_molar": 6.628141305003259,
"formula_full": "Nd4 Co4 O12",
"formula_reduced": "NdCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.09902258,
"spacegroup": 62
}
]
}