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=4065",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4063",
"results": [
{
"id": "jvasp-30559",
"created_at": "2022-09-04T14:37:13.567272Z",
"updated_at": "2022-09-04T14:37:13.567299Z",
"structure_string": "Ni1 O2\n1.0\n4.981402 -0.455608 -0.269848\n4.436691 2.310350 -0.269848\n4.436691 0.873735 2.155718\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.600166 0.600168 0.600166 O\n0.399833 0.399834 0.399833 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.6185539065247,
"density_atomic": 0.09200432366515998,
"volume": 32.60716323417781,
"volume_molar": 6.545497559350521,
"formula_full": "Ni1 O2",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.462426466666667,
"spacegroup": 166
},
{
"id": "jvasp-79058",
"created_at": "2022-09-04T14:37:13.744984Z",
"updated_at": "2022-09-04T14:37:13.745011Z",
"structure_string": "Na1 Mo3\n1.0\n0.000000 3.197124 3.197124\n3.197124 -0.000000 3.197124\n3.197124 3.197124 -0.000000\nNa Mo\n1 3\ndirect\n0.749999 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.249999 0.249999 0.249999 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mo"
],
"chemical_system": "Mo-Na",
"density": 7.896512384138148,
"density_atomic": 0.061200018541189054,
"volume": 65.35945732284225,
"volume_molar": 9.84009629988422,
"formula_full": "Na1 Mo3",
"formula_reduced": "NaMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.525076675,
"spacegroup": 225
},
{
"id": "jvasp-34191",
"created_at": "2022-09-04T14:37:13.387680Z",
"updated_at": "2022-09-04T14:37:13.387717Z",
"structure_string": "Cu8 O7\n1.0\n5.839706 -0.003291 -0.162243\n-0.003291 5.839706 -0.162243\n-2.777368 -2.777368 5.243041\nCu O\n8 7\ndirect\n0.011215 0.002851 0.009322 Cu\n0.991769 0.489448 0.982383 Cu\n0.510575 0.505606 0.517646 Cu\n0.510553 0.008232 0.517618 Cu\n0.494395 0.489426 0.982355 Cu\n0.501578 0.002860 0.009362 Cu\n0.997142 0.498423 0.490639 Cu\n0.997150 0.988786 0.490679 Cu\n0.122462 0.368923 0.741190 O\n0.126715 0.873285 0.750001 O\n0.631078 0.877539 0.758811 O\n0.376964 0.623037 0.250001 O\n0.392871 0.139219 0.282260 O\n0.876757 0.123244 0.250001 O\n0.860783 0.607130 0.217741 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.9362610936277305,
"density_atomic": 0.08643879584759416,
"volume": 173.5331901944524,
"volume_molar": 6.966941985885628,
"formula_full": "Cu8 O7",
"formula_reduced": "Cu8O7",
"formula_anonymous": "A7B8",
"energy_above_hull": 1.1566034,
"spacegroup": 119
},
{
"id": "jvasp-36359",
"created_at": "2022-09-04T14:37:13.403145Z",
"updated_at": "2022-09-04T14:37:13.403172Z",
"structure_string": "Ni1 C1\n1.0\n2.039905 2.039905 -0.000000\n2.039905 -0.000000 -2.039905\n0.000000 2.039905 -2.039905\nNi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.499999 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"C"
],
"chemical_system": "C-Ni",
"density": 6.9156638109572475,
"density_atomic": 0.11780674934781696,
"volume": 16.976955998464287,
"volume_molar": 5.1118809349539145,
"formula_full": "Ni1 C1",
"formula_reduced": "NiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.8781262000000005,
"spacegroup": 225
},
{
"id": "jvasp-45563",
"created_at": "2022-09-04T14:37:13.437007Z",
"updated_at": "2022-09-04T14:37:13.437033Z",
"structure_string": "Ti8 O16\n1.0\n5.183303 0.000000 0.000000\n0.000000 5.987251 0.000000\n0.000000 0.000000 9.893183\nTi O\n8 16\ndirect\n0.493217 0.500000 0.736237 Ti\n0.493217 0.500000 0.263763 Ti\n0.506783 0.000000 0.763762 Ti\n0.506783 0.000000 0.236237 Ti\n0.000000 0.250000 0.750000 Ti\n0.000000 0.750000 0.250000 Ti\n0.000000 0.750000 0.750000 Ti\n0.000000 0.250000 0.250000 Ti\n0.333055 0.751088 0.348190 O\n0.333055 0.248912 0.651810 O\n0.333055 0.248912 0.348190 O\n0.333055 0.751088 0.651810 O\n0.666945 0.748912 0.151810 O\n0.666945 0.251088 0.848190 O\n0.832949 0.000000 0.345533 O\n0.166607 0.000000 0.150512 O\n0.167051 0.500000 0.154466 O\n0.167051 0.500000 0.845533 O\n0.666945 0.748912 0.848190 O\n0.166607 0.000000 0.849488 O\n0.833392 0.500000 0.349488 O\n0.833392 0.500000 0.650511 O\n0.832949 0.000000 0.654466 O\n0.666945 0.251088 0.151810 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.4556506099102062,
"density_atomic": 0.07817018447489694,
"volume": 307.02243011473513,
"volume_molar": 7.703884544284158,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.537238444444445,
"spacegroup": 59
},
{
"id": "jvasp-36399",
"created_at": "2022-09-04T14:37:13.443512Z",
"updated_at": "2022-09-04T14:37:13.443538Z",
"structure_string": "Ru1 N1\n1.0\n2.157782 2.157782 -0.000000\n2.157782 0.000000 -2.157782\n-0.000000 2.157782 -2.157782\nRu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"N"
],
"chemical_system": "N-Ru",
"density": 9.510071964410184,
"density_atomic": 0.09953533952085777,
"volume": 20.093365930408034,
"volume_molar": 6.050253898755277,
"formula_full": "Ru1 N1",
"formula_reduced": "RuN",
"formula_anonymous": "AB",
"energy_above_hull": 3.594591875,
"spacegroup": 225
},
{
"id": "jvasp-79573",
"created_at": "2022-09-04T14:37:13.454478Z",
"updated_at": "2022-09-04T14:37:13.454506Z",
"structure_string": "Na2 Ga2\n1.0\n2.866714 4.326299 0.000000\n-2.866714 4.326299 0.000000\n0.000000 0.000000 4.462634\nNa Ga\n2 2\ndirect\n0.319763 0.319763 0.250000 Na\n0.680238 0.680238 0.749999 Na\n0.946194 0.946194 0.250000 Ga\n0.053806 0.053806 0.749999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ga"
],
"chemical_system": "Ga-Na",
"density": 2.7816115590152806,
"density_atomic": 0.03613581275569885,
"volume": 110.69351136620483,
"volume_molar": 16.665297666648634,
"formula_full": "Na2 Ga2",
"formula_reduced": "NaGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.1956481818181818,
"spacegroup": 63
},
{
"id": "jvasp-14322",
"created_at": "2022-09-04T14:37:13.465351Z",
"updated_at": "2022-09-04T14:37:13.465368Z",
"structure_string": "Zr2 I6\n1.0\n3.664276 -6.346713 0.000000\n3.664276 6.346713 0.000000\n0.000000 -0.000000 6.554641\nZr I\n2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.330089 0.000000 0.750000 I\n0.000001 0.669912 0.250000 I\n0.330089 0.330089 0.250000 I\n0.669912 0.669912 0.750000 I\n0.000000 0.330089 0.750000 I\n0.669912 0.000001 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.140999410932522,
"density_atomic": 0.026240617043189505,
"volume": 304.87087963033713,
"volume_molar": 22.949691884486334,
"formula_full": "Zr2 I6",
"formula_reduced": "ZrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5903433312500002,
"spacegroup": 193
},
{
"id": "jvasp-80501",
"created_at": "2022-09-04T14:37:13.481655Z",
"updated_at": "2022-09-04T14:37:13.481690Z",
"structure_string": "Hf2 Mg2\n1.0\n5.104098 0.000000 -0.000000\n0.000000 3.006351 0.000000\n-0.000000 0.000000 5.616220\nHf Mg\n2 2\ndirect\n0.750000 0.000000 0.147545 Hf\n0.250000 0.000000 0.852455 Hf\n0.250000 0.500000 0.344184 Mg\n0.750000 0.500000 0.655816 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 7.815081937761348,
"density_atomic": 0.04641487560975028,
"volume": 86.17926790607898,
"volume_molar": 12.974592048103952,
"formula_full": "Hf2 Mg2",
"formula_reduced": "HfMg",
"formula_anonymous": "AB",
"energy_above_hull": 1.6690227142857146,
"spacegroup": 51
},
{
"id": "jvasp-78518",
"created_at": "2022-09-04T14:37:13.578889Z",
"updated_at": "2022-09-04T14:37:13.578916Z",
"structure_string": "Th1 Co2\n1.0\n3.652508 0.000000 -0.000000\n0.000000 3.652508 -0.000000\n-1.826255 -1.826255 4.063083\nTh Co\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250001 0.750001 0.500000 Co\n0.750001 0.250001 0.500000 Co\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Co"
],
"chemical_system": "Co-Th",
"density": 10.719154174381108,
"density_atomic": 0.05534561388565293,
"volume": 54.20483737334931,
"volume_molar": 10.880972017840607,
"formula_full": "Th1 Co2",
"formula_reduced": "ThCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.966852466666668,
"spacegroup": 139
},
{
"id": "jvasp-78399",
"created_at": "2022-09-04T14:37:13.589407Z",
"updated_at": "2022-09-04T14:37:13.589431Z",
"structure_string": "Mn1 Fe1\n1.0\n2.452576 -0.000000 -0.000000\n0.000000 2.452576 0.000000\n0.000000 -0.000000 3.472496\nMn Fe\n1 1\ndirect\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.807156084466488,
"density_atomic": 0.09575099448525977,
"volume": 20.88751151621602,
"volume_molar": 6.289376723838694,
"formula_full": "Mn1 Fe1",
"formula_reduced": "MnFe",
"formula_anonymous": "AB",
"energy_above_hull": 2.576261370689655,
"spacegroup": 123
},
{
"id": "jvasp-79378",
"created_at": "2022-09-04T14:37:13.733189Z",
"updated_at": "2022-09-04T14:37:13.733208Z",
"structure_string": "W2 N2\n1.0\n1.457168 -2.523888 -0.000000\n1.457168 2.523888 -0.000000\n0.000000 0.000000 6.487513\nW N\n2 2\ndirect\n0.000000 0.000000 0.342217 W\n0.333337 0.666669 0.842217 W\n0.000000 0.000000 0.032782 N\n0.333337 0.666669 0.532782 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 13.769556836214154,
"density_atomic": 0.08382470822021094,
"volume": 47.71862717961196,
"volume_molar": 7.184207243739626,
"formula_full": "W2 N2",
"formula_reduced": "WN",
"formula_anonymous": "AB",
"energy_above_hull": 4.240511624999999,
"spacegroup": 186
}
]
}