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=formula_anonymous&page=1079",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1077",
"results": [
{
"id": "jvasp-56189",
"created_at": "2022-09-04T14:37:20.008334Z",
"updated_at": "2022-09-04T14:37:20.008373Z",
"structure_string": "Zr1 Co2 Si2\n1.0\n3.537655 0.000000 -1.276592\n-0.460669 3.507532 -1.276592\n-0.008081 -0.009212 5.517621\nZr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.377532 0.377533 0.755065 Si\n0.622467 0.622467 0.244935 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Si"
],
"chemical_system": "Co-Si-Zr",
"density": 6.441429599706364,
"density_atomic": 0.07311881265205539,
"volume": 68.38185439078583,
"volume_molar": 8.236103051422727,
"formula_full": "Zr1 Co2 Si2",
"formula_reduced": "Zr(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5013687,
"spacegroup": 139
},
{
"id": "jvasp-21959",
"created_at": "2022-09-04T14:37:32.689910Z",
"updated_at": "2022-09-04T14:37:32.689924Z",
"structure_string": "Ba2 Zn4 Sn4\n1.0\n4.822714 0.000000 -0.000000\n0.000000 4.822714 0.000000\n-0.000000 0.000000 11.310611\nBa Zn Sn\n2 4 4\ndirect\n0.500000 0.000000 0.759415 Ba\n0.000000 0.500000 0.240584 Ba\n0.500000 0.000000 0.364670 Zn\n0.000000 0.500000 0.635329 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.873286 Sn\n0.500000 0.000000 0.126714 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sn"
],
"chemical_system": "Ba-Sn-Zn",
"density": 6.382443979865905,
"density_atomic": 0.03801289255867172,
"volume": 263.0686413712219,
"volume_molar": 15.842363878794577,
"formula_full": "Ba2 Zn4 Sn4",
"formula_reduced": "Ba(ZnSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-12102",
"created_at": "2022-09-04T14:37:19.648563Z",
"updated_at": "2022-09-04T14:37:19.648575Z",
"structure_string": "Ni4 Sb2 Te4\n1.0\n3.943975 0.000000 -0.000000\n-1.971987 3.415582 -0.000000\n-0.000000 -0.000000 15.964550\nNi Sb Te\n4 2 4\ndirect\n0.000000 0.000000 0.166287 Ni\n0.000000 0.000000 0.666287 Ni\n0.000000 0.000000 0.833713 Ni\n0.000000 0.000000 0.333713 Ni\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.588838 Te\n0.666667 0.333333 0.088838 Te\n0.666667 0.333333 0.411162 Te\n0.333333 0.666667 0.911162 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"Te"
],
"chemical_system": "Ni-Sb-Te",
"density": 7.634054734386869,
"density_atomic": 0.04649908950144874,
"volume": 215.05797440804594,
"volume_molar": 12.951093934457301,
"formula_full": "Ni4 Sb2 Te4",
"formula_reduced": "Ni2SbTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1236192866666666,
"spacegroup": 194
},
{
"id": "jvasp-12872",
"created_at": "2022-09-04T14:37:26.968901Z",
"updated_at": "2022-09-04T14:37:26.968919Z",
"structure_string": "Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.755243896754536,
"density_atomic": 0.05141618379284253,
"volume": 97.24564584849708,
"volume_molar": 11.71253935193518,
"formula_full": "Tl1 Cu2 S2",
"formula_reduced": "Tl(CuS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4284146999999997,
"spacegroup": 139
},
{
"id": "jvasp-49875",
"created_at": "2022-09-04T14:37:10.217169Z",
"updated_at": "2022-09-04T14:37:10.217182Z",
"structure_string": "Ce2 Se1 O2\n1.0\n1.989900 -3.446608 -0.000000\n1.989900 3.446608 0.000000\n0.000000 -0.000000 6.997956\nCe Se O\n2 1 2\ndirect\n0.333333 0.666667 0.710955 Ce\n0.666667 0.333333 0.289045 Ce\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.374323 O\n0.666667 0.333333 0.625677 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Se",
"O"
],
"chemical_system": "Ce-O-Se",
"density": 6.767268111390134,
"density_atomic": 0.05208895651627577,
"volume": 95.98963646810039,
"volume_molar": 11.561262046242595,
"formula_full": "Ce2 Se1 O2",
"formula_reduced": "Ce2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6196542733333328,
"spacegroup": 164
},
{
"id": "jvasp-14398",
"created_at": "2022-09-04T14:37:26.967180Z",
"updated_at": "2022-09-04T14:37:26.967200Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"P"
],
"chemical_system": "Mn-P-Sr",
"density": 4.728916412121197,
"density_atomic": 0.054883216909531386,
"volume": 91.10253154879605,
"volume_molar": 10.972645371583813,
"formula_full": "Sr1 Mn2 P2",
"formula_reduced": "Sr(MnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.820898358551724,
"spacegroup": 164
},
{
"id": "jvasp-29799",
"created_at": "2022-09-04T14:37:27.992598Z",
"updated_at": "2022-09-04T14:37:27.992625Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.225037 -0.000007 -0.000003\n-1.612524 2.792966 -0.000000\n0.000003 0.000001 4.581949\nZn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.558687 H\n0.333335 0.666667 0.441314 H\n0.666667 0.333333 0.772080 O\n0.333334 0.666667 0.227921 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 4.000266029484739,
"density_atomic": 0.12114903167599739,
"volume": 41.27148133855554,
"volume_molar": 4.9708533998898945,
"formula_full": "Zn1 H2 O2",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5476254799999996,
"spacegroup": 164
},
{
"id": "jvasp-13989",
"created_at": "2022-09-04T14:37:20.134500Z",
"updated_at": "2022-09-04T14:37:20.134529Z",
"structure_string": "Yb4 Mg2 Si4\n1.0\n7.185922 0.000000 0.000000\n0.000000 7.185922 0.000000\n0.000000 0.000000 4.461190\nYb Mg Si\n4 2 4\ndirect\n0.325958 0.825958 0.500000 Yb\n0.825958 0.674041 0.500000 Yb\n0.174042 0.325958 0.500000 Yb\n0.674041 0.174042 0.500000 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.881359 0.381359 0.000000 Si\n0.381359 0.118641 0.000000 Si\n0.118641 0.618641 0.000000 Si\n0.618641 0.881359 0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Yb",
"density": 6.149494687182783,
"density_atomic": 0.04340944989858863,
"volume": 230.36458705101282,
"volume_molar": 13.872879693404725,
"formula_full": "Yb4 Mg2 Si4",
"formula_reduced": "Yb2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.72908553,
"spacegroup": 127
},
{
"id": "jvasp-42378",
"created_at": "2022-09-04T14:37:12.876144Z",
"updated_at": "2022-09-04T14:37:12.876173Z",
"structure_string": "Na8 Sn4 O8\n1.0\n5.152919 0.000000 0.000000\n0.000000 6.657421 0.000000\n0.000000 0.000000 9.655585\nNa Sn O\n8 4 8\ndirect\n-0.006147 0.623526 0.422574 Na\n0.008623 0.128862 0.759304 Na\n0.491377 0.871137 0.259305 Na\n0.506147 0.376474 0.922574 Na\n0.493854 0.876474 0.577426 Na\n0.508623 0.371138 0.240695 Na\n0.991377 0.628862 0.740695 Na\n0.006147 0.123526 0.077426 Na\n0.015026 0.601569 0.074069 Sn\n0.484974 0.398431 0.574068 Sn\n0.515026 0.898431 0.925931 Sn\n-0.015026 0.101569 0.425931 Sn\n0.001394 0.891756 0.580220 O\n0.077762 0.343186 0.557568 O\n0.422238 0.656814 0.057568 O\n0.498606 0.108244 0.080220 O\n0.501394 0.608244 0.419780 O\n0.577762 0.156814 0.442432 O\n0.922238 0.843186 0.942431 O\n0.998606 0.391756 0.919780 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Sn",
"O"
],
"chemical_system": "Na-O-Sn",
"density": 3.944116839653352,
"density_atomic": 0.060379855166760296,
"volume": 331.23630298156456,
"volume_molar": 9.973758206884948,
"formula_full": "Na8 Sn4 O8",
"formula_reduced": "Na2SnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4987533399999997,
"spacegroup": 19
},
{
"id": "jvasp-56045",
"created_at": "2022-09-04T14:37:14.396156Z",
"updated_at": "2022-09-04T14:37:14.396190Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.035054 -3.524818 -0.000000\n2.035054 3.524818 0.000000\n-0.000000 -0.000000 13.907065\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.880297 Tm\n0.666666 0.333332 0.380297 Tm\n0.666666 0.333332 0.114663 Tm\n0.333332 0.666666 0.614663 Tm\n0.000000 0.000000 0.740828 Ni\n0.000000 0.000000 0.240828 Ni\n0.000000 0.000000 0.497930 As\n0.000000 0.000000 -0.002071 As\n0.666666 0.333332 0.749953 As\n0.333332 0.666666 0.249952 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tm",
"density": 9.095271307307138,
"density_atomic": 0.05012124896100074,
"volume": 199.51617741571013,
"volume_molar": 12.015145042945393,
"formula_full": "Tm4 Ni2 As4",
"formula_reduced": "Tm2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5340088799999998,
"spacegroup": 186
},
{
"id": "jvasp-17769",
"created_at": "2022-09-04T14:37:27.971362Z",
"updated_at": "2022-09-04T14:37:27.971382Z",
"structure_string": "U1 Si2 Ni2\n1.0\n3.703954 -0.000000 -1.425207\n-0.548391 3.663134 -1.425207\n0.001894 0.002199 5.530609\nU Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.624296 0.624296 0.248593 Si\n0.375702 0.375703 0.751406 Si\n0.749999 0.250000 0.499999 Ni\n0.249999 0.749999 0.499999 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-U",
"density": 9.105100786932265,
"density_atomic": 0.0666107496423314,
"volume": 75.062959459962,
"volume_molar": 9.040794154601297,
"formula_full": "U1 Si2 Ni2",
"formula_reduced": "U(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9389955999999997,
"spacegroup": 139
},
{
"id": "jvasp-10229",
"created_at": "2022-09-04T14:37:09.833359Z",
"updated_at": "2022-09-04T14:37:09.833385Z",
"structure_string": "Na4 Zn2 S4\n1.0\n5.357650 -0.000000 -2.477066\n-1.345240 5.557925 -2.909623\n0.016884 0.001447 7.069088\nNa Zn S\n4 2 4\ndirect\n0.141681 0.490033 0.283362 Na\n0.858318 0.509967 0.716637 Na\n0.358318 0.206671 0.716638 Na\n0.641681 0.793329 0.283362 Na\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.612663 0.328634 0.225327 S\n0.387336 0.671366 0.774672 S\n0.887336 0.103307 0.774672 S\n0.112663 0.896693 0.225327 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Zn",
"S"
],
"chemical_system": "Na-S-Zn",
"density": 2.7657692500891975,
"density_atomic": 0.04744755703905029,
"volume": 210.75900687088694,
"volume_molar": 12.692204058142883,
"formula_full": "Na4 Zn2 S4",
"formula_reduced": "Na2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.00134,
"spacegroup": 72
}
]
}