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=3481",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3479",
"results": [
{
"id": "jvasp-36161",
"created_at": "2022-09-04T14:37:29.568142Z",
"updated_at": "2022-09-04T14:37:29.568163Z",
"structure_string": "Cr1 Ni3\n1.0\n3.548445 0.000000 -0.000000\n0.000000 3.548445 -0.000000\n-0.000000 -0.000000 3.548445\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.499999 0.499999 Ni\n0.499999 0.499999 0.000000 Ni\n0.499999 0.000000 0.499999 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.476469856253606,
"density_atomic": 0.08952529419303411,
"volume": 44.680110085706225,
"volume_molar": 6.726747802710464,
"formula_full": "Cr1 Ni3",
"formula_reduced": "CrNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9699661500000003,
"spacegroup": 221
},
{
"id": "jvasp-42072",
"created_at": "2022-09-04T14:37:33.702371Z",
"updated_at": "2022-09-04T14:37:33.702389Z",
"structure_string": "Pm1 Al1 Cu2\n1.0\n0.000000 3.294845 3.294845\n3.294845 -0.000000 3.294845\n3.294845 3.294845 0.000000\nPm Al Cu\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Pm\n0.250000 0.250000 0.250000 Al\n0.499999 0.499999 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Pm",
"density": 6.942120129455129,
"density_atomic": 0.05591457512765139,
"volume": 71.5376981917168,
"volume_molar": 10.770252203922903,
"formula_full": "Pm1 Al1 Cu2",
"formula_reduced": "PmAlCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5225812187500001,
"spacegroup": 225
},
{
"id": "jvasp-79998",
"created_at": "2022-09-04T14:37:12.768878Z",
"updated_at": "2022-09-04T14:37:12.768910Z",
"structure_string": "Ca1 Ag2 Sn1\n1.0\n0.000000 3.522334 3.522334\n3.522334 0.000000 3.522334\n3.522334 3.522334 0.000000\nCa Ag Sn\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ca\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sn"
],
"chemical_system": "Ag-Ca-Sn",
"density": 7.115535898225781,
"density_atomic": 0.04576551891065788,
"volume": 87.4020462394119,
"volume_molar": 13.158685629144179,
"formula_full": "Ca1 Ag2 Sn1",
"formula_reduced": "CaAg2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79904",
"created_at": "2022-09-04T14:37:12.761761Z",
"updated_at": "2022-09-04T14:37:12.761781Z",
"structure_string": "Pa1 Al1 Au2\n1.0\n0.000000 3.455046 3.455046\n3.455046 0.000000 3.455046\n3.455046 3.455046 0.000000\nPa Al Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pa\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Au\n0.500001 0.500001 0.500001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Al",
"Au"
],
"chemical_system": "Al-Au-Pa",
"density": 13.124182490734551,
"density_atomic": 0.04849182107221405,
"volume": 82.48813741276487,
"volume_molar": 12.418879363247306,
"formula_full": "Pa1 Al1 Au2",
"formula_reduced": "PaAlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7096352600000002,
"spacegroup": 225
},
{
"id": "jvasp-79619",
"created_at": "2022-09-04T14:37:12.753073Z",
"updated_at": "2022-09-04T14:37:12.753092Z",
"structure_string": "Mn1 Ga1 Ni2\n1.0\n3.771804 -0.000000 0.000000\n0.000000 3.771804 -0.000000\n-0.000000 -0.000000 3.431730\nMn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.000000 Ga\n0.499999 0.000000 0.500000 Ni\n0.000000 0.499999 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ni"
],
"chemical_system": "Ga-Mn-Ni",
"density": 8.23263712272959,
"density_atomic": 0.08193107374488234,
"volume": 48.82152542581382,
"volume_molar": 7.350252455804244,
"formula_full": "Mn1 Ga1 Ni2",
"formula_reduced": "MnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4125660915948277,
"spacegroup": 123
},
{
"id": "jvasp-36157",
"created_at": "2022-09-04T14:37:29.036286Z",
"updated_at": "2022-09-04T14:37:29.036307Z",
"structure_string": "Cu2 I2\n1.0\n-3.528270 -3.614562 -0.000000\n-3.528270 3.614562 0.000000\n0.000000 -0.000000 -4.378311\nCu I\n2 2\ndirect\n0.414998 0.585002 0.750000 Cu\n0.585002 0.414998 0.250000 Cu\n0.780714 0.219286 0.750000 I\n0.219286 0.780714 0.250000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.663788776860523,
"density_atomic": 0.03581837656893085,
"volume": 111.67451970644677,
"volume_molar": 16.81299192444041,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0301899999999999,
"spacegroup": 63
},
{
"id": "jvasp-80146",
"created_at": "2022-09-04T14:37:12.729267Z",
"updated_at": "2022-09-04T14:37:12.729293Z",
"structure_string": "Mg1 Zn1 Ni2\n1.0\n-8.465443 0.000001 -4.887525\n-5.529080 0.200238 -0.198404\n-4.759234 2.377691 -1.531817\nMg Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 -0.000001 -0.000000 Zn\n0.738110 -0.000002 -0.000000 Ni\n0.261891 -0.000001 -0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ni"
],
"chemical_system": "Mg-Ni-Zn",
"density": 5.90902612689068,
"density_atomic": 0.06872979168202288,
"volume": 58.19892512559803,
"volume_molar": 8.762052979676302,
"formula_full": "Mg1 Zn1 Ni2",
"formula_reduced": "MgZnNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-79212",
"created_at": "2022-09-04T14:37:12.727798Z",
"updated_at": "2022-09-04T14:37:12.727827Z",
"structure_string": "Na1 N3\n1.0\n-3.386803 -0.000000 1.190025\n-1.902472 3.044207 0.000000\n-3.435334 -0.030329 -4.362516\nNa N\n1 3\ndirect\n0.002751 0.002752 0.991744 Na\n0.426151 0.426153 0.721542 N\n0.502747 0.502749 0.491753 N\n0.579344 0.579346 0.261964 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.8776808651826813,
"density_atomic": 0.06957502669444762,
"volume": 57.49189314100855,
"volume_molar": 8.655606826350802,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6460071875,
"spacegroup": 166
},
{
"id": "jvasp-36158",
"created_at": "2022-09-04T14:37:29.731890Z",
"updated_at": "2022-09-04T14:37:29.731921Z",
"structure_string": "Cr1 Ni3\n1.0\n3.511501 0.000000 -0.000000\n-0.000000 3.511501 0.000000\n-1.755750 -1.755750 3.573508\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Ni\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.595059844269695,
"density_atomic": 0.09077779715069591,
"volume": 44.06363808718326,
"volume_molar": 6.633935773967869,
"formula_full": "Cr1 Ni3",
"formula_reduced": "CrNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9665036500000004,
"spacegroup": 139
},
{
"id": "jvasp-18102",
"created_at": "2022-09-04T14:37:29.742596Z",
"updated_at": "2022-09-04T14:37:29.742618Z",
"structure_string": "Ti1 Co2 Sn1\n1.0\n3.721108 0.000000 2.148383\n1.240369 3.508294 2.148383\n-0.000000 -0.000000 4.296765\nTi Co Sn\n1 2 1\ndirect\n0.500001 0.499999 0.499999 Ti\n0.750001 0.749999 0.749998 Co\n0.250000 0.250000 0.249999 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Ti",
"density": 8.42044582216187,
"density_atomic": 0.07130995031459399,
"volume": 56.09315365321994,
"volume_molar": 8.44502167429997,
"formula_full": "Ti1 Co2 Sn1",
"formula_reduced": "TiCo2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6112929583333337,
"spacegroup": 225
},
{
"id": "jvasp-33027",
"created_at": "2022-09-04T14:37:29.818243Z",
"updated_at": "2022-09-04T14:37:29.818271Z",
"structure_string": "H2 F2\n1.0\n1.468646 2.207792 0.000000\n-1.468646 2.207792 0.000000\n0.000000 0.000000 5.274237\nH F\n2 2\ndirect\n0.427757 0.427757 0.580982 H\n0.572242 0.572242 0.080982 H\n0.645532 0.645532 0.581018 F\n0.354468 0.354468 0.081018 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 1.9425933107251943,
"density_atomic": 0.11694861218480261,
"volume": 34.20305658419602,
"volume_molar": 5.149390529306831,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.06092514125,
"spacegroup": 63
},
{
"id": "jvasp-37543",
"created_at": "2022-09-04T14:37:29.853136Z",
"updated_at": "2022-09-04T14:37:29.853157Z",
"structure_string": "Li1 Yb3\n1.0\n-0.000000 4.107014 4.107014\n4.107014 0.000000 4.107014\n4.107014 4.107014 0.000000\nYb Li\n3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499998 0.499998 0.499998 Yb\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Li"
],
"chemical_system": "Li-Yb",
"density": 6.3048775759823465,
"density_atomic": 0.02887030990721951,
"volume": 138.5506429565459,
"volume_molar": 20.859286856820546,
"formula_full": "Li1 Yb3",
"formula_reduced": "LiYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}