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=energy_above_hull&page=3821",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3819",
"results": [
{
"id": "jvasp-67107",
"created_at": "2022-09-04T14:36:22.312266Z",
"updated_at": "2022-09-04T14:36:22.312290Z",
"structure_string": "Hf1 Be2 Co1\n1.0\n2.807046 0.000000 0.000000\n0.000000 2.807046 0.000000\n-0.000000 0.000000 5.980543\nHf Be Co\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Hf\n0.000000 0.000000 0.819158 Be\n0.000000 0.000000 0.180841 Be\n0.500001 0.500001 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Co"
],
"chemical_system": "Be-Co-Hf",
"density": 9.001423148093826,
"density_atomic": 0.0848829207357999,
"volume": 47.12373190420833,
"volume_molar": 7.094643666591135,
"formula_full": "Hf1 Be2 Co1",
"formula_reduced": "HfBe2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.072251525,
"spacegroup": 123
},
{
"id": "jvasp-88723",
"created_at": "2022-09-04T14:35:41.765045Z",
"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
"nsites": 55,
"nelements": 6,
"elements": [
"Al",
"Cu",
"H",
"S",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Cu-H-O-S",
"density": 1.8558898760167009,
"density_atomic": 0.10778230150528464,
"volume": 510.28786017622116,
"volume_molar": 5.587318767455276,
"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
"formula_reduced": "AlCuH28S2ClO22",
"formula_anonymous": "ABCD2E22F28",
"energy_above_hull": 3.0722593512272725,
"spacegroup": 2
},
{
"id": "jvasp-115515",
"created_at": "2022-09-04T14:38:46.966324Z",
"updated_at": "2022-09-04T14:38:46.966353Z",
"structure_string": "Si1 B1 O2\n1.0\n2.796181 0.000000 0.000000\n0.000000 2.796181 0.000000\n0.000000 0.000000 6.128730\nSi B O\n1 1 2\ndirect\n0.499999 0.499999 0.585757 Si\n0.000000 0.000000 0.020285 B\n0.000000 0.000000 0.544216 O\n0.499999 0.499999 0.859742 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"B",
"O"
],
"chemical_system": "B-O-Si",
"density": 2.4567756122517266,
"density_atomic": 0.083475483186208,
"volume": 47.918261114790276,
"volume_molar": 7.214262835192539,
"formula_full": "Si1 B1 O2",
"formula_reduced": "SiBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.072332045833333,
"spacegroup": 99
},
{
"id": "jvasp-29731",
"created_at": "2022-09-04T14:36:44.440657Z",
"updated_at": "2022-09-04T14:36:44.440684Z",
"structure_string": "Zn2 B4 H16\n1.0\n4.265517 0.000000 0.000000\n0.000000 5.184536 0.000000\n0.000000 0.000000 8.172818\nZn B H\n2 4 16\ndirect\n0.000000 0.287479 0.009592 Zn\n0.000000 0.712522 0.509592 Zn\n0.500000 0.930359 0.472718 B\n0.000000 0.542123 0.246103 B\n0.000000 0.457878 0.746103 B\n0.500000 0.069641 0.972718 B\n0.720946 0.971820 0.570515 H\n0.000000 0.584931 0.875742 H\n0.500000 0.709404 0.420415 H\n0.500000 0.914615 0.863252 H\n0.247082 0.513238 0.677937 H\n0.500000 0.085385 0.363252 H\n0.000000 0.777058 0.256324 H\n0.000000 0.415070 0.375742 H\n0.247082 0.486763 0.177937 H\n0.279055 0.971820 0.570515 H\n0.000000 0.222942 0.756324 H\n0.752919 0.486763 0.177937 H\n0.720946 0.028181 0.070515 H\n0.500000 0.290597 0.920416 H\n0.279055 0.028181 0.070515 H\n0.752919 0.513238 0.677937 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zn",
"B",
"H"
],
"chemical_system": "B-H-Zn",
"density": 1.7473551503243496,
"density_atomic": 0.12172205658392007,
"volume": 180.73963435568734,
"volume_molar": 4.947452359094914,
"formula_full": "Zn2 B4 H16",
"formula_reduced": "Zn(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.072438687878788,
"spacegroup": 26
},
{
"id": "jvasp-67589",
"created_at": "2022-09-04T14:36:05.572200Z",
"updated_at": "2022-09-04T14:36:05.572231Z",
"structure_string": "Be1 Ga1 Tc2\n1.0\n-2.042849 2.042849 3.155695\n2.042849 -2.042849 3.155695\n2.042849 2.042849 -3.155695\nBe Ga Tc\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Tc\n0.250000 0.750000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Tc"
],
"chemical_system": "Be-Ga-Tc",
"density": 8.66035768845863,
"density_atomic": 0.07593332993641765,
"volume": 52.677789889490924,
"volume_molar": 7.9308266410054795,
"formula_full": "Be1 Ga1 Tc2",
"formula_reduced": "BeGaTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07287785625,
"spacegroup": 119
},
{
"id": "jvasp-47444",
"created_at": "2022-09-04T14:38:02.931456Z",
"updated_at": "2022-09-04T14:38:02.931465Z",
"structure_string": "Li2 V1 Cr1 P2 H2 O10\n1.0\n5.118740 0.008870 -0.018283\n-0.725031 5.288531 -0.003858\n-2.350853 -2.377691 6.440414\nLi V Cr P H O\n2 1 1 2 2 10\ndirect\n0.746574 0.390553 0.822831 Li\n0.253426 0.609447 0.177168 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cr\n0.679496 0.366404 0.233078 P\n0.320504 0.633596 0.766921 P\n0.364698 0.071148 0.351019 H\n0.635303 0.928852 0.648980 H\n0.687432 0.665308 0.336353 O\n0.628626 0.753006 0.931703 O\n0.107814 0.654548 0.879924 O\n0.892187 0.345452 0.120076 O\n0.835876 0.040526 0.719919 O\n0.312569 0.334692 0.663647 O\n0.736613 0.216960 0.390474 O\n0.263388 0.783040 0.609525 O\n0.371375 0.246994 0.068297 O\n0.164125 0.959474 0.280081 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Li",
"V",
"Cr",
"P",
"H",
"O"
],
"chemical_system": "Cr-H-Li-O-P-V",
"density": 3.250620594993738,
"density_atomic": 0.10339973121223262,
"volume": 174.08169043548273,
"volume_molar": 5.8241357974512376,
"formula_full": "Li2 V1 Cr1 P2 H2 O10",
"formula_reduced": "Li2VCrP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy_above_hull": 3.0729537555555555,
"spacegroup": 2
},
{
"id": "jvasp-70942",
"created_at": "2022-09-04T14:35:47.851729Z",
"updated_at": "2022-09-04T14:35:47.851758Z",
"structure_string": "Hf2 Be1 Ga1\n1.0\n3.028142 0.000000 0.000000\n0.000000 3.028142 0.000000\n-0.000000 0.000000 7.417089\nHf Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.978301 Hf\n0.500000 0.500000 0.287587 Hf\n0.000000 0.000000 0.534067 Be\n0.500000 0.500000 0.700045 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Hf",
"density": 10.638143055096185,
"density_atomic": 0.058813094031637335,
"volume": 68.01206543985391,
"volume_molar": 10.239455786428291,
"formula_full": "Hf2 Be1 Ga1",
"formula_reduced": "Hf2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07310110625,
"spacegroup": 99
},
{
"id": "jvasp-71181",
"created_at": "2022-09-04T14:35:55.984616Z",
"updated_at": "2022-09-04T14:35:55.984633Z",
"structure_string": "Hf2 Be1 Ga1\n1.0\n3.028356 0.000000 0.000000\n-0.000000 3.028356 -0.000000\n0.000000 0.000000 7.416027\nHf Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.978273 Hf\n0.500001 0.500001 0.287573 Hf\n0.000000 0.000000 0.534118 Be\n0.500001 0.500001 0.700037 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Hf",
"density": 10.63816281342056,
"density_atomic": 0.05881320326575681,
"volume": 68.01193912063188,
"volume_molar": 10.239436768624895,
"formula_full": "Hf2 Be1 Ga1",
"formula_reduced": "Hf2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07310110625,
"spacegroup": 99
},
{
"id": "jvasp-50457",
"created_at": "2022-09-04T14:37:34.014279Z",
"updated_at": "2022-09-04T14:37:34.014308Z",
"structure_string": "Er4 Nb4 O14\n1.0\n3.640582 -6.305673 -0.000000\n3.640582 6.305673 0.000000\n0.000000 -4.203783 5.945046\nEr Nb O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 -0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n-0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.874999 0.625000 0.875001 O\n0.152240 0.902240 0.152240 O\n0.152240 0.902240 0.597760 O\n0.402240 0.652240 0.402241 O\n0.402240 0.652240 0.847760 O\n0.847759 0.097760 0.402241 O\n0.152240 0.347760 0.597760 O\n0.597759 0.347760 0.152240 O\n0.597759 0.347760 0.597760 O\n0.597759 0.902240 0.152240 O\n0.125000 0.375000 0.125000 O\n0.402240 0.097760 0.847760 O\n0.847759 0.097760 0.847760 O\n0.847759 0.652240 0.402241 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Nb",
"O"
],
"chemical_system": "Er-Nb-O",
"density": 7.6936608768038175,
"density_atomic": 0.08060002991715542,
"volume": 272.9527522832517,
"volume_molar": 7.4716358867234245,
"formula_full": "Er4 Nb4 O14",
"formula_reduced": "Er2Nb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0732984818181817,
"spacegroup": 227
},
{
"id": "jvasp-2181",
"created_at": "2022-09-04T14:36:22.062152Z",
"updated_at": "2022-09-04T14:36:22.062161Z",
"structure_string": "As4 Os2\n1.0\n3.072029 0.000000 0.000000\n0.000000 5.487302 0.000000\n0.000000 0.000000 6.277157\nAs Os\n4 2\ndirect\n0.500000 0.328750 0.865497 As\n0.500000 0.671249 0.134503 As\n0.000000 0.171250 0.365497 As\n0.000000 0.828750 0.634504 As\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"Os"
],
"chemical_system": "As-Os",
"density": 10.673438110982572,
"density_atomic": 0.05670274522046867,
"volume": 105.81498261982046,
"volume_molar": 10.620545330891872,
"formula_full": "As4 Os2",
"formula_reduced": "As2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0735728333333334,
"spacegroup": 58
},
{
"id": "jvasp-19675",
"created_at": "2022-09-04T14:38:15.085998Z",
"updated_at": "2022-09-04T14:38:15.086025Z",
"structure_string": "Mo2 As4\n1.0\n3.259363 -0.000000 0.794567\n1.505605 4.569182 0.906255\n0.013370 0.025060 7.027495\nMo As\n2 4\ndirect\n0.826830 0.605467 0.700869 Mo\n0.133167 0.394532 0.299132 Mo\n0.126353 0.740629 0.966664 As\n0.833645 0.259370 0.033337 As\n0.383739 0.799746 0.392772 As\n0.576259 0.200253 0.607229 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"As"
],
"chemical_system": "As-Mo",
"density": 7.8062761917188475,
"density_atomic": 0.05738044022644363,
"volume": 104.56524865131507,
"volume_molar": 10.495110766376992,
"formula_full": "Mo2 As4",
"formula_reduced": "MoAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.073696466666667,
"spacegroup": 12
},
{
"id": "jvasp-100202",
"created_at": "2022-09-04T14:36:39.274484Z",
"updated_at": "2022-09-04T14:36:39.274509Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n3.722075 -0.000000 2.148941\n1.240692 3.509206 2.148941\n0.000000 0.000000 4.297882\nMg V Ru\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.249999 0.250000 0.250000 Ru\n0.749998 0.750001 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 8.20513909059189,
"density_atomic": 0.0712543726187088,
"volume": 56.13690575039525,
"volume_molar": 8.45160870649334,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0738485625000003,
"spacegroup": 225
}
]
}