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=created_at&page=590",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=588",
"results": [
{
"id": "jvasp-61347",
"created_at": "2022-09-04T14:36:00.249186Z",
"updated_at": "2022-09-04T14:36:00.249205Z",
"structure_string": "Er4 As4 Pt4\n1.0\n2.145836 -3.716696 0.000000\n2.145836 3.716696 -0.000000\n-0.000000 -0.000000 14.999142\nEr As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.666668 0.333334 0.613586 As\n0.333334 0.666668 0.113586 As\n0.333334 0.666668 0.386414 As\n0.666668 0.333334 0.886414 As\n0.666668 0.333334 0.138530 Pt\n0.333334 0.666668 0.638530 Pt\n0.333334 0.666668 0.861470 Pt\n0.666668 0.333334 0.361470 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"As",
"Pt"
],
"chemical_system": "As-Er-Pt",
"density": 12.139573483856937,
"density_atomic": 0.05015696695644744,
"volume": 239.24891651482642,
"volume_molar": 12.006588766081444,
"formula_full": "Er4 As4 Pt4",
"formula_reduced": "ErAsPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4649777166666664,
"spacegroup": 194
},
{
"id": "jvasp-97586",
"created_at": "2022-09-04T14:36:00.254026Z",
"updated_at": "2022-09-04T14:36:00.254064Z",
"structure_string": "Ce4 Cu4 Se8\n1.0\n6.674066 0.032769 0.000000\n-0.875323 7.191030 0.000000\n0.000000 0.000000 7.530885\nCe Cu Se\n4 4 8\ndirect\n0.690375 0.298566 0.547781 Ce\n0.309626 0.201434 0.047781 Ce\n0.309626 0.701434 0.452218 Ce\n0.690375 0.798566 0.952218 Ce\n0.059399 0.538945 0.837708 Cu\n0.940602 0.461055 0.162291 Cu\n0.059399 0.038945 0.662291 Cu\n0.940603 0.961055 0.337708 Cu\n0.412969 -0.000484 0.724611 Se\n0.412970 0.499516 0.775388 Se\n0.587032 0.500484 0.224612 Se\n0.587031 0.000484 0.275388 Se\n0.896621 0.715310 0.610226 Se\n0.103380 0.784690 0.110226 Se\n0.103380 0.284690 0.389774 Se\n0.896621 0.215310 0.889773 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Se"
],
"chemical_system": "Ce-Cu-Se",
"density": 6.640928396138,
"density_atomic": 0.04424181025874592,
"volume": 361.64885447554775,
"volume_molar": 13.611876920903153,
"formula_full": "Ce4 Cu4 Se8",
"formula_reduced": "CeCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8123006708333333,
"spacegroup": 14
},
{
"id": "jvasp-15600",
"created_at": "2022-09-04T14:36:00.255794Z",
"updated_at": "2022-09-04T14:36:00.255821Z",
"structure_string": "U1 Si2 Rh2\n1.0\n3.785851 0.000000 -1.405728\n-0.521962 3.749697 -1.405728\n-0.001964 -0.002256 5.795529\nU Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.617276 0.617276 0.234551 Si\n0.382725 0.382724 0.765449 Si\n0.750000 0.250000 0.500000 Rh\n0.250001 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-U",
"density": 10.094913071048971,
"density_atomic": 0.06079166102078607,
"volume": 82.24812278595883,
"volume_molar": 9.906195453256148,
"formula_full": "U1 Si2 Rh2",
"formula_reduced": "U(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69122184,
"spacegroup": 139
},
{
"id": "jvasp-107745",
"created_at": "2022-09-04T14:36:00.256844Z",
"updated_at": "2022-09-04T14:36:00.256871Z",
"structure_string": "Nd2 Ga5 Cu3\n1.0\n4.224970 0.000000 0.000000\n0.000000 4.224970 0.000000\n-0.000000 -0.000000 10.253233\nNd Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743274 Nd\n-0.000000 0.500000 0.256726 Nd\n-0.000000 0.500000 0.862829 Ga\n0.500000 0.000000 0.380502 Ga\n0.500000 0.000000 0.137171 Ga\n-0.000000 0.500000 0.619497 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Nd",
"density": 7.509886622390134,
"density_atomic": 0.05463763773674893,
"volume": 183.0240181352874,
"volume_molar": 11.021963996714934,
"formula_full": "Nd2 Ga5 Cu3",
"formula_reduced": "Nd2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.00650704,
"spacegroup": 115
},
{
"id": "jvasp-86345",
"created_at": "2022-09-04T14:36:00.257695Z",
"updated_at": "2022-09-04T14:36:00.257714Z",
"structure_string": "Re3 P4\n1.0\n2.969510 -0.000000 -0.735462\n-0.597259 5.564867 -2.411499\n-0.000467 0.013364 6.360711\nRe P\n3 4\ndirect\n0.263818 0.318760 0.527638 Re\n0.736180 0.681240 0.472362 Re\n0.000000 0.000000 0.000000 Re\n0.086313 0.436126 0.172627 P\n0.913685 0.563873 0.827373 P\n0.352022 0.024924 0.704044 P\n0.647977 0.975076 0.295956 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 10.772218338248562,
"density_atomic": 0.06653363058646074,
"volume": 105.20995079177995,
"volume_molar": 9.051273328868175,
"formula_full": "Re3 P4",
"formula_reduced": "Re3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.284008,
"spacegroup": 12
},
{
"id": "jvasp-105677",
"created_at": "2022-09-04T14:36:00.259932Z",
"updated_at": "2022-09-04T14:36:00.259960Z",
"structure_string": "Na2 Li1 Rh1 F6\n1.0\n4.805531 0.000000 2.774474\n1.601843 4.530698 2.774474\n0.000000 0.000000 5.548949\nNa Li Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Rh\n0.252208 0.252209 0.747791 F\n0.252208 0.747792 0.747791 F\n0.747791 0.747792 0.252208 F\n0.252208 0.747792 0.252208 F\n0.747791 0.252209 0.747791 F\n0.747791 0.252209 0.252208 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Rh",
"F"
],
"chemical_system": "F-Li-Na-Rh",
"density": 3.708517244452158,
"density_atomic": 0.08277187036737897,
"volume": 120.81399098045604,
"volume_molar": 7.275588594616767,
"formula_full": "Na2 Li1 Rh1 F6",
"formula_reduced": "Na2LiRhF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93093",
"created_at": "2022-09-04T14:36:00.260507Z",
"updated_at": "2022-09-04T14:36:00.260531Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.152093 0.029452 0.000000\n-3.050540 5.342594 0.000000\n0.000000 0.000000 4.811936\nMg Cr Si\n6 1 1\ndirect\n0.169404 0.844658 0.250000 Mg\n0.655341 0.330595 0.250000 Mg\n0.668030 0.831968 0.250000 Mg\n0.331155 0.661061 0.750001 Mg\n0.838937 0.168844 0.750001 Mg\n0.834719 0.665280 0.750001 Mg\n0.322815 0.177184 0.750001 Cr\n0.179594 0.320405 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Si"
],
"chemical_system": "Cr-Mg-Si",
"density": 2.3654142299722336,
"density_atomic": 0.0504440053667807,
"volume": 158.59168878108764,
"volume_molar": 11.938268415072784,
"formula_full": "Mg6 Cr1 Si1",
"formula_reduced": "Mg6CrSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4293262874999999,
"spacegroup": 38
},
{
"id": "jvasp-19843",
"created_at": "2022-09-04T14:36:00.272255Z",
"updated_at": "2022-09-04T14:36:00.272283Z",
"structure_string": "Ba1 Pt5\n1.0\n2.815073 -4.875850 -0.000000\n2.815073 4.875850 0.000000\n0.000000 0.000000 4.348200\nBa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 15.479824200348299,
"density_atomic": 0.05026570117381613,
"volume": 119.36568793206162,
"volume_molar": 11.980616244018472,
"formula_full": "Ba1 Pt5",
"formula_reduced": "BaPt5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.292668828333334,
"spacegroup": 191
},
{
"id": "jvasp-19870",
"created_at": "2022-09-04T14:36:00.285702Z",
"updated_at": "2022-09-04T14:36:00.285720Z",
"structure_string": "Ca1 B6\n1.0\n4.139768 0.000000 0.000000\n-0.000000 4.139768 0.000000\n-0.000000 -0.000000 4.139768\nCa B\n1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.201511 0.500000 0.500000 B\n0.500000 0.500000 0.798490 B\n0.500000 0.500000 0.201511 B\n0.500000 0.201511 0.500000 B\n0.500000 0.798490 0.500000 B\n0.798490 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ca",
"B"
],
"chemical_system": "B-Ca",
"density": 2.456284691398451,
"density_atomic": 0.09866656992627044,
"volume": 70.9460155068816,
"volume_molar": 6.103527024908339,
"formula_full": "Ca1 B6",
"formula_reduced": "CaB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.243069417142857,
"spacegroup": 221
},
{
"id": "jvasp-65033",
"created_at": "2022-09-04T14:36:00.287476Z",
"updated_at": "2022-09-04T14:36:00.287505Z",
"structure_string": "Be1 Tc1 Cl4\n1.0\n-0.000000 4.087140 4.087140\n4.087140 0.000000 4.087140\n4.087140 4.087140 0.000000\nBe Tc Cl\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n0.124933 0.625022 0.625022 Cl\n0.625022 0.625022 0.625022 Cl\n0.625022 0.124933 0.625022 Cl\n0.625022 0.625022 0.124933 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Cl"
],
"chemical_system": "Be-Cl-Tc",
"density": 3.025890056726099,
"density_atomic": 0.04394026908249505,
"volume": 136.54900448459665,
"volume_molar": 13.705288760735206,
"formula_full": "Be1 Tc1 Cl4",
"formula_reduced": "BeTcCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.629815645,
"spacegroup": 216
},
{
"id": "jvasp-3810",
"created_at": "2022-09-04T14:36:00.288938Z",
"updated_at": "2022-09-04T14:36:00.288964Z",
"structure_string": "Y2 Cl6\n1.0\n6.221238 -0.020009 -1.147453\n-1.874527 5.629605 -3.398881\n-0.004527 -0.000937 6.838032\nY Cl\n2 6\ndirect\n-0.000001 0.166259 0.833741 Y\n-0.000000 0.833742 0.166259 Y\n0.245549 0.935602 0.582289 Cl\n0.754450 0.417711 0.064399 Cl\n0.745694 0.776280 0.776280 Cl\n0.254306 0.223720 0.223720 Cl\n0.245549 0.582289 0.935601 Cl\n0.754450 0.064398 0.417711 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Cl"
],
"chemical_system": "Cl-Y",
"density": 2.7112897280204864,
"density_atomic": 0.03344742976306081,
"volume": 239.18130800098618,
"volume_molar": 18.004793799285665,
"formula_full": "Y2 Cl6",
"formula_reduced": "YCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2095169131249998,
"spacegroup": 12
},
{
"id": "jvasp-94839",
"created_at": "2022-09-04T14:36:00.289237Z",
"updated_at": "2022-09-04T14:36:00.289263Z",
"structure_string": "In1 Co3 Sn1 S2\n1.0\n-2.658856 -4.605275 -0.000000\n2.658856 -4.605275 -0.000000\n-0.000000 -3.070183 4.526443\nIn Co Sn S\n1 3 1 2\ndirect\n0.499999 0.499999 0.500000 In\n0.499999 0.499999 0.000000 Co\n0.500000 -0.000001 0.000000 Co\n-0.000001 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Sn\n0.220718 0.220718 0.337845 S\n0.779281 0.779281 0.662154 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Co",
"Sn",
"S"
],
"chemical_system": "Co-In-S-Sn",
"density": 7.107372113249278,
"density_atomic": 0.06314814572968414,
"volume": 110.85044412807676,
"volume_molar": 9.536528254968482,
"formula_full": "In1 Co3 Sn1 S2",
"formula_reduced": "InCo3SnS2",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.154457767142857,
"spacegroup": 166
}
]
}