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=380",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=378",
"results": [
{
"id": "jvasp-8328",
"created_at": "2022-09-04T14:37:01.290076Z",
"updated_at": "2022-09-04T14:37:01.290097Z",
"structure_string": "Cu1 N1\n1.0\n2.615646 -0.000000 0.000000\n0.000000 2.615646 0.000000\n0.000000 0.000000 2.615646\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.196297688354554,
"density_atomic": 0.11176172498213503,
"volume": 17.895214129163605,
"volume_molar": 5.388374920808203,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 2.22859685,
"spacegroup": 221
},
{
"id": "jvasp-78486",
"created_at": "2022-09-04T14:37:01.292875Z",
"updated_at": "2022-09-04T14:37:01.292901Z",
"structure_string": "Ti1 S2\n1.0\n2.956465 1.707018 -0.001079\n2.956465 -1.707018 -0.001079\n0.004033 0.000000 -5.714912\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333068 0.333068 0.248377 S\n0.666930 0.666930 0.751623 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.224075573469063,
"density_atomic": 0.0520080991393112,
"volume": 57.68332336015718,
"volume_molar": 11.579236425982092,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7828194444444443,
"spacegroup": 164
},
{
"id": "jvasp-102286",
"created_at": "2022-09-04T14:36:50.960461Z",
"updated_at": "2022-09-04T14:36:50.960487Z",
"structure_string": "Na3 In1\n1.0\n4.742643 0.000000 2.738166\n1.580881 4.471406 2.738166\n-0.000000 0.000000 5.476332\nNa In\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.750001 Na\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"In"
],
"chemical_system": "In-Na",
"density": 2.627908893310776,
"density_atomic": 0.03444337359622172,
"volume": 116.13264272227916,
"volume_molar": 17.484178032608867,
"formula_full": "Na3 In1",
"formula_reduced": "Na3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18885",
"created_at": "2022-09-04T14:37:01.308669Z",
"updated_at": "2022-09-04T14:37:01.308696Z",
"structure_string": "Ag4 S2\n1.0\n4.414495 -0.175871 -0.000000\n-1.637311 4.103402 0.000000\n-2.777184 -3.927533 6.359149\nAg S\n4 2\ndirect\n0.212226 0.545994 0.379110 Ag\n0.545996 0.212226 0.879110 Ag\n0.454006 0.787775 0.120890 Ag\n0.787777 0.454006 0.620890 Ag\n0.000001 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 7.259688010808909,
"density_atomic": 0.05292810664897449,
"volume": 113.36131934196541,
"volume_molar": 11.377963696943773,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4121475,
"spacegroup": 64
},
{
"id": "jvasp-100815",
"created_at": "2022-09-04T14:36:43.936670Z",
"updated_at": "2022-09-04T14:36:43.936681Z",
"structure_string": "Nb3 Pd1\n1.0\n2.811593 0.004279 0.000000\n-0.706412 2.721406 0.000000\n0.000000 0.000000 9.108538\nNb Pd\n3 1\ndirect\n0.500000 0.500001 0.759535 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500001 0.240465 Nb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Pd"
],
"chemical_system": "Nb-Pd",
"density": 9.172775253414699,
"density_atomic": 0.05737120746024168,
"volume": 69.72138424613087,
"volume_molar": 10.496799747806163,
"formula_full": "Nb3 Pd1",
"formula_reduced": "Nb3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 4.488050975,
"spacegroup": 65
},
{
"id": "jvasp-12424",
"created_at": "2022-09-04T14:36:49.501023Z",
"updated_at": "2022-09-04T14:36:49.501060Z",
"structure_string": "In4 O6\n1.0\n4.891545 -0.007663 3.206165\n1.728089 4.576133 3.206165\n-0.011103 -0.007663 5.848640\nIn O\n4 6\ndirect\n0.642149 0.642149 0.642147 In\n0.857853 0.857852 0.857849 In\n0.357852 0.357852 0.357851 In\n0.142149 0.142148 0.142148 In\n0.046073 0.750000 0.453927 O\n0.750001 0.453928 0.046071 O\n0.453928 0.046073 0.749999 O\n0.953929 0.250001 0.546070 O\n0.546073 0.953928 0.249998 O\n0.250001 0.546073 0.953927 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"In",
"O"
],
"chemical_system": "In-O",
"density": 7.0258311153553965,
"density_atomic": 0.07619836451575422,
"volume": 131.23641253392614,
"volume_molar": 7.903241491167315,
"formula_full": "In4 O6",
"formula_reduced": "In2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9899560879999998,
"spacegroup": 167
},
{
"id": "jvasp-52594",
"created_at": "2022-09-04T14:36:51.259502Z",
"updated_at": "2022-09-04T14:36:51.259534Z",
"structure_string": "H1 Cl1\n1.0\n3.060340 -0.984623 1.925931\n0.091802 3.213525 1.925931\n-0.000000 -0.000000 3.851862\nH Cl\n1 1\ndirect\n0.708224 0.291776 -0.000000 H\n0.959775 0.040225 -0.000001 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.5837310663922648,
"density_atomic": 0.05231599301112403,
"volume": 38.22922752464503,
"volume_molar": 11.511089464973937,
"formula_full": "H1 Cl1",
"formula_reduced": "HCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.67774203375,
"spacegroup": 107
},
{
"id": "jvasp-1219",
"created_at": "2022-09-04T14:37:01.334935Z",
"updated_at": "2022-09-04T14:37:01.334972Z",
"structure_string": "Cu2 O2\n1.0\n2.929458 -0.034164 -0.042660\n0.038003 2.929478 -0.040387\n0.083379 0.076930 5.173064\nCu O\n2 2\ndirect\n-0.000000 0.500000 -0.000000 Cu\n0.500001 0.000001 0.500000 Cu\n0.000544 0.999485 0.249995 O\n0.999457 0.000518 0.750004 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.947196466866356,
"density_atomic": 0.09004883818101542,
"volume": 44.42033990443312,
"volume_molar": 6.68763848778853,
"formula_full": "Cu2 O2",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy_above_hull": 0.3712646562499999,
"spacegroup": 131
},
{
"id": "jvasp-16077",
"created_at": "2022-09-04T14:36:51.335736Z",
"updated_at": "2022-09-04T14:36:51.335758Z",
"structure_string": "Te4 Pt3\n1.0\n3.979124 0.001568 0.668810\n1.931860 3.478700 0.668810\n-0.041451 -0.024405 12.425441\nTe Pt\n4 3\ndirect\n0.945805 0.945807 0.162484 Te\n0.054193 0.054195 0.837516 Te\n0.794990 0.794993 0.614933 Te\n0.205008 0.205009 0.385067 Te\n0.646503 0.646505 0.060448 Pt\n0.499999 0.500001 0.500000 Pt\n0.353495 0.353497 0.939552 Pt\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 10.57238067652873,
"density_atomic": 0.04067701718890097,
"volume": 172.0873476905284,
"volume_molar": 14.804774725820327,
"formula_full": "Te4 Pt3",
"formula_reduced": "Te4Pt3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.8274607523809523,
"spacegroup": 166
},
{
"id": "jvasp-4346",
"created_at": "2022-09-04T14:36:43.941775Z",
"updated_at": "2022-09-04T14:36:43.941807Z",
"structure_string": "P16 S12\n1.0\n6.454982 0.000000 0.000000\n0.000000 9.717414 0.000000\n0.000000 0.000000 10.906181\nP S\n16 12\ndirect\n0.274015 0.367732 0.930652 P\n0.274015 0.132267 0.930652 P\n0.774015 0.867732 0.569348 P\n0.725984 0.632267 0.069348 P\n0.893789 0.750000 0.919772 P\n0.393789 0.250000 0.580227 P\n0.106210 0.250000 0.080228 P\n0.606210 0.750000 0.419772 P\n0.225984 0.367732 0.430652 P\n0.676317 0.250000 0.323885 P\n0.823682 0.250000 0.823885 P\n0.323682 0.750000 0.676115 P\n0.225984 0.132267 0.430652 P\n0.725984 0.867732 0.069348 P\n0.774015 0.632267 0.569348 P\n0.176317 0.750000 0.176115 P\n0.705172 0.250000 0.518496 S\n0.205173 0.750000 0.981504 S\n0.535691 0.917014 0.695821 S\n0.035691 0.082986 0.804179 S\n0.464309 0.082986 0.304179 S\n0.535691 0.582986 0.695821 S\n0.035691 0.417014 0.804179 S\n0.964309 0.917014 0.195821 S\n0.464309 0.417014 0.304179 S\n0.794827 0.250000 0.018496 S\n0.964309 0.582986 0.195821 S\n0.294827 0.750000 0.481504 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.136933717407984,
"density_atomic": 0.04092979684309813,
"volume": 684.0981915286872,
"volume_molar": 14.713341439454265,
"formula_full": "P16 S12",
"formula_reduced": "P4S3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.845728857142857,
"spacegroup": 62
},
{
"id": "jvasp-107217",
"created_at": "2022-09-04T14:37:03.062480Z",
"updated_at": "2022-09-04T14:37:03.062510Z",
"structure_string": "Tb5 Mg1\n1.0\n5.396488 0.000660 3.725165\n1.955396 5.029762 3.725165\n0.000964 0.000660 6.557356\nTb Mg\n5 1\ndirect\n0.656488 0.343512 -0.000001 Tb\n0.000000 0.656487 0.343512 Tb\n0.343512 0.000000 0.656488 Tb\n0.833677 0.833677 0.833676 Tb\n0.166323 0.166323 0.166323 Tb\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.64178405272362,
"density_atomic": 0.03371702164845488,
"volume": 177.95166081269093,
"volume_molar": 17.860832498163347,
"formula_full": "Tb5 Mg1",
"formula_reduced": "Tb5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 1.2315887555555556,
"spacegroup": 155
},
{
"id": "jvasp-19828",
"created_at": "2022-09-04T14:36:50.620556Z",
"updated_at": "2022-09-04T14:36:50.620569Z",
"structure_string": "Ca1 Ni5\n1.0\n2.458421 -4.258109 -0.000000\n2.458421 4.258109 -0.000000\n-0.000000 0.000000 3.929476\nCa Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.500001 Ni\n0.500000 0.500000 0.500001 Ni\n-0.000000 0.500000 0.500001 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 6.7323372671930395,
"density_atomic": 0.07293123748970791,
"volume": 82.26927454572154,
"volume_molar": 8.257285858957005,
"formula_full": "Ca1 Ni5",
"formula_reduced": "CaNi5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.84933207,
"spacegroup": 191
}
]
}