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=nelements&page=1163",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1161",
"results": [
{
"id": "jvasp-14200",
"created_at": "2022-09-04T14:36:44.687329Z",
"updated_at": "2022-09-04T14:36:44.687357Z",
"structure_string": "Np1 Co2 Ge2\n1.0\n3.751331 0.000000 -1.386162\n-0.512204 3.716199 -1.386162\n-0.055126 -0.063245 5.619956\nNp Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500001 Co\n0.750000 0.250001 0.500001 Co\n0.626851 0.626851 0.253702 Ge\n0.373149 0.373150 0.746299 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Np",
"density": 10.690312929482802,
"density_atomic": 0.06435972601145962,
"volume": 77.68833570095873,
"volume_molar": 9.357001860026136,
"formula_full": "Np1 Co2 Ge2",
"formula_reduced": "Np(CoGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.22125274,
"spacegroup": 139
},
{
"id": "jvasp-15506",
"created_at": "2022-09-04T14:36:44.251154Z",
"updated_at": "2022-09-04T14:36:44.251176Z",
"structure_string": "Ta2 Si2 As2\n1.0\n3.538384 -0.000000 -0.000000\n-0.000000 3.538384 0.000000\n0.000000 0.000000 7.926408\nTa Si As\n2 2 2\ndirect\n0.000000 0.500000 0.254608 Ta\n0.500000 0.000000 0.745393 Ta\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.613287 As\n0.500000 0.000000 0.386713 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Si",
"As"
],
"chemical_system": "As-Si-Ta",
"density": 9.502595316533682,
"density_atomic": 0.06045954883544427,
"volume": 99.2399069389435,
"volume_molar": 9.960611476593643,
"formula_full": "Ta2 Si2 As2",
"formula_reduced": "TaSiAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.45052985,
"spacegroup": 129
},
{
"id": "jvasp-102250",
"created_at": "2022-09-04T14:36:44.259221Z",
"updated_at": "2022-09-04T14:36:44.259233Z",
"structure_string": "V3 O5 F1\n1.0\n4.297571 0.008085 2.572594\n2.731539 4.602851 0.201203\n-0.081612 -0.030219 4.968656\nV O F\n3 5 1\ndirect\n0.313748 0.059082 0.329931 V\n0.723031 0.449364 0.131743 V\n0.653230 0.979326 0.660128 V\n0.527722 0.236315 0.064106 O\n0.180142 0.230398 0.746199 O\n0.860118 0.207487 0.397549 O\n0.743435 0.753283 0.313930 O\n0.549502 0.752919 0.939921 O\n0.173579 0.743688 0.538116 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.22569767947222,
"density_atomic": 0.09094980709770657,
"volume": 98.95567992058938,
"volume_molar": 6.621389260925499,
"formula_full": "V3 O5 F1",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9982189313888887,
"spacegroup": 1
},
{
"id": "jvasp-7793",
"created_at": "2022-09-04T14:36:44.283505Z",
"updated_at": "2022-09-04T14:36:44.283528Z",
"structure_string": "Al2 Tl2 O4\n1.0\n4.881412 -0.077639 2.946556\n1.625310 4.603540 2.946556\n-0.111619 -0.077639 5.700694\nAl Tl O\n2 2 4\ndirect\n0.375000 0.375000 0.375000 Al\n0.625000 0.625000 0.625001 Al\n0.875003 0.875003 0.875005 Tl\n0.124996 0.124996 0.124997 Tl\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500001 O\n0.500000 0.500000 0.000001 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Tl",
"O"
],
"chemical_system": "Al-O-Tl",
"density": 6.671198308213665,
"density_atomic": 0.06101813519494735,
"volume": 131.1085626337274,
"volume_molar": 9.869427737769783,
"formula_full": "Al2 Tl2 O4",
"formula_reduced": "AlTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8916831000000001,
"spacegroup": 227
},
{
"id": "jvasp-102189",
"created_at": "2022-09-04T14:36:44.286564Z",
"updated_at": "2022-09-04T14:36:44.286574Z",
"structure_string": "Nd1 Fe1 Ni4\n1.0\n5.016122 -0.000000 -0.000000\n-2.508062 4.344088 0.000000\n-0.000000 0.000000 3.947128\nNd Fe Ni\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Nd\n0.666667 0.333333 0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n0.833390 0.666781 0.500000 Ni\n0.333220 0.166610 0.500000 Ni\n0.833390 0.166610 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Ni"
],
"chemical_system": "Fe-Nd-Ni",
"density": 8.395590413349694,
"density_atomic": 0.0697594961465408,
"volume": 86.00979553229651,
"volume_molar": 8.632718257238478,
"formula_full": "Nd1 Fe1 Ni4",
"formula_reduced": "NdFeNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6662077666666668,
"spacegroup": 187
},
{
"id": "jvasp-104107",
"created_at": "2022-09-04T14:36:44.316271Z",
"updated_at": "2022-09-04T14:36:44.316288Z",
"structure_string": "H6 C6 N2\n1.0\n5.740713 0.189189 -0.000150\n-3.751609 4.349368 -0.000150\n0.000108 0.000248 5.131104\nH C N\n6 6 2\ndirect\n0.870595 0.698176 0.394543 H\n0.698175 0.870597 0.894542 H\n0.698186 0.870602 0.414026 H\n0.870602 0.698187 0.914026 H\n0.269018 0.433758 0.654284 H\n0.433757 0.269018 0.154285 H\n0.656398 0.656398 0.404286 C\n0.656398 0.656399 0.904285 C\n0.486945 0.479635 0.654284 C\n0.479634 0.486946 0.154284 C\n0.423562 0.189656 0.654283 C\n0.189655 0.423562 0.154284 C\n0.369382 0.957696 0.654290 N\n0.957695 0.369382 0.154290 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3374937722767204,
"density_atomic": 0.10625564730011636,
"volume": 131.75770282079557,
"volume_molar": 5.667595947150572,
"formula_full": "H6 C6 N2",
"formula_reduced": "H3C3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.055813321428571,
"spacegroup": 40
},
{
"id": "jvasp-44055",
"created_at": "2022-09-04T14:36:44.328092Z",
"updated_at": "2022-09-04T14:36:44.328115Z",
"structure_string": "V6 O6 F12\n1.0\n2.535975 -4.392436 0.000000\n2.535974 4.392437 -0.000000\n0.000000 -0.000000 13.157726\nV O F\n6 6 12\ndirect\n0.688179 0.960426 0.499017 V\n0.658476 0.015220 -0.001534 V\n0.039573 0.727752 0.832350 V\n0.356743 0.341525 0.665134 V\n0.984781 0.643257 0.331801 V\n0.272247 0.311820 0.165683 V\n0.916598 0.910010 0.416407 O\n0.089990 0.006588 0.749740 O\n0.993413 0.083403 0.083073 O\n0.066028 0.404650 0.250504 O\n0.338621 0.933971 0.917172 O\n0.595350 0.661378 0.583838 O\n0.730754 0.731553 0.915610 F\n0.687930 0.401602 0.751376 F\n0.284335 0.607920 0.753205 F\n0.323584 0.715664 0.419872 F\n0.598399 0.286328 0.084709 F\n0.404628 0.061511 0.582083 F\n0.656883 0.595372 0.248750 F\n0.938490 0.343117 0.915416 F\n0.268447 -0.000799 0.248942 F\n0.713673 0.312071 0.418043 F\n0.392080 0.676415 0.086538 F\n0.000799 0.269246 0.582277 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.566733883663412,
"density_atomic": 0.08187475882665317,
"volume": 293.13063444636543,
"volume_molar": 7.355308090433822,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.91089956625,
"spacegroup": 144
},
{
"id": "jvasp-8736",
"created_at": "2022-09-04T14:36:44.330118Z",
"updated_at": "2022-09-04T14:36:44.330129Z",
"structure_string": "Er3 In1 N1\n1.0\n4.737259 -0.000000 0.000000\n-0.000000 4.737259 -0.000000\n0.000000 -0.000000 4.737259\nEr In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"In",
"N"
],
"chemical_system": "Er-In-N",
"density": 9.84969643880671,
"density_atomic": 0.047031476777071146,
"volume": 106.31177974061846,
"volume_molar": 12.804490040882412,
"formula_full": "Er3 In1 N1",
"formula_reduced": "Er3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6447466439999998,
"spacegroup": 221
},
{
"id": "jvasp-101568",
"created_at": "2022-09-04T14:36:44.332240Z",
"updated_at": "2022-09-04T14:36:44.332268Z",
"structure_string": "Ho1 Er1 Ir2\n1.0\n4.160885 -0.000000 2.402288\n1.386962 3.922920 2.402288\n-0.000000 -0.000000 4.804576\nHo Er Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499999 0.500000 0.500001 Er\n0.749999 0.750000 0.750002 Ir\n0.250000 0.250000 0.250001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
"Ir"
],
"chemical_system": "Er-Ho-Ir",
"density": 15.173640910739698,
"density_atomic": 0.05100464854408995,
"volume": 78.42422434383171,
"volume_molar": 11.80704294980933,
"formula_full": "Ho1 Er1 Ir2",
"formula_reduced": "HoErIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7485069416666663,
"spacegroup": 225
},
{
"id": "jvasp-105570",
"created_at": "2022-09-04T14:36:44.447373Z",
"updated_at": "2022-09-04T14:36:44.447382Z",
"structure_string": "Cr2 C2 N4\n1.0\n3.113163 -0.000008 0.000000\n-1.556589 2.695960 0.000000\n-0.000000 -0.000000 9.544607\nCr C N\n2 2 4\ndirect\n0.000009 -0.000013 0.000000 Cr\n0.000009 -0.000013 0.500000 Cr\n0.666672 0.333322 0.250000 C\n0.333332 0.666653 0.750000 C\n0.666674 0.333318 0.119696 N\n0.333336 0.666656 0.880304 N\n0.333336 0.666656 0.619696 N\n0.666674 0.333318 0.380304 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 3.8149561888903905,
"density_atomic": 0.09986591279162824,
"volume": 80.10741379485634,
"volume_molar": 6.030226522402383,
"formula_full": "Cr2 C2 N4",
"formula_reduced": "CrCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.259900975,
"spacegroup": 194
},
{
"id": "jvasp-51110",
"created_at": "2022-09-04T14:36:54.443512Z",
"updated_at": "2022-09-04T14:36:54.443533Z",
"structure_string": "In1 Re1 Ge1\n1.0\n-0.000000 3.126127 3.126127\n3.126127 0.000000 3.126127\n3.126127 3.126127 -0.000000\nIn Re Ge\n1 1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.750001 0.750001 0.750001 Re\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Re",
"Ge"
],
"chemical_system": "Ge-In-Re",
"density": 10.155040747488224,
"density_atomic": 0.04909885980172904,
"volume": 61.10121522403161,
"volume_molar": 12.26533728953911,
"formula_full": "In1 Re1 Ge1",
"formula_reduced": "InReGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3647946399999995,
"spacegroup": 216
},
{
"id": "jvasp-101046",
"created_at": "2022-09-04T14:36:44.287727Z",
"updated_at": "2022-09-04T14:36:44.287766Z",
"structure_string": "Tl2 Sn2 I6\n1.0\n7.787402 0.021587 0.000000\n-6.443383 4.373432 0.000000\n0.000000 -0.000000 11.847086\nTl Sn I\n2 2 6\ndirect\n0.249055 0.750945 0.250000 Tl\n0.750945 0.249055 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.643480 0.356520 0.056557 I\n0.356520 0.643480 0.943443 I\n0.356520 0.643480 0.556557 I\n0.643480 0.356520 0.443443 I\n0.925375 0.074626 0.250000 I\n0.074626 0.925374 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"I"
],
"chemical_system": "I-Sn-Tl",
"density": 5.7694699170503325,
"density_atomic": 0.024683311106162655,
"volume": 405.1320326106213,
"volume_molar": 24.39762126766072,
"formula_full": "Tl2 Sn2 I6",
"formula_reduced": "TlSnI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}