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=8",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=6",
"results": [
{
"id": "jvasp-8403",
"created_at": "2022-09-04T14:36:35.494217Z",
"updated_at": "2022-09-04T14:36:35.494243Z",
"structure_string": "Ba1 Y1 Ti1 Cu1 O5\n1.0\n3.927006 0.000000 0.000000\n0.000000 3.927006 -0.000000\n0.000000 0.000000 7.843283\nBa Y Ti Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.990776 Ba\n0.000000 0.000000 0.549180 Y\n0.500000 0.500000 0.305422 Ti\n0.500000 0.500000 0.720978 Cu\n0.500000 0.000000 0.360173 O\n0.000000 0.500000 0.360173 O\n0.500000 0.000000 0.724327 O\n0.000000 0.500000 0.724327 O\n0.500000 0.500000 0.076721 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Ti-Y",
"density": 5.733675802475653,
"density_atomic": 0.07440831918942738,
"volume": 120.95421719025744,
"volume_molar": 8.093370238170467,
"formula_full": "Ba1 Y1 Ti1 Cu1 O5",
"formula_reduced": "BaYTiCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.064609744814814,
"spacegroup": 99
},
{
"id": "jvasp-25880",
"created_at": "2022-09-04T14:38:19.820781Z",
"updated_at": "2022-09-04T14:38:19.820804Z",
"structure_string": "K2 Na2 Sm2 Nb2 O10\n1.0\n5.721531 -0.000000 0.000000\n0.000000 5.721531 0.000000\n0.000000 -0.000000 8.289694\nK Na Sm Nb O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.242011 Na\n0.000000 0.500000 0.757988 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.500000 0.258192 Nb\n0.500000 0.000000 0.741808 Nb\n0.233196 0.733195 0.331634 O\n0.766804 0.266804 0.331634 O\n0.733195 0.233196 0.668366 O\n0.733195 0.766804 0.668366 O\n0.500000 0.000000 0.967965 O\n0.766804 0.733195 0.331634 O\n0.266804 0.233196 0.668366 O\n0.000000 0.500000 0.032035 O\n0.266804 0.766804 0.668366 O\n0.233196 0.266804 0.331634 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Sm",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-O-Sm",
"density": 4.7159922150660964,
"density_atomic": 0.06632992325463846,
"volume": 271.3707346064396,
"volume_molar": 9.079070899692127,
"formula_full": "K2 Na2 Sm2 Nb2 O10",
"formula_reduced": "KNaSmNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.976909197222222,
"spacegroup": 129
},
{
"id": "jvasp-112284",
"created_at": "2022-09-04T14:38:26.306066Z",
"updated_at": "2022-09-04T14:38:26.306077Z",
"structure_string": "Li2 Cu2 H2 S2 O10\n1.0\n5.675927 0.000000 0.000000\n0.000000 4.534374 0.293422\n-0.000000 -0.811461 7.545519\nLi Cu H S O\n2 2 2 2 10\ndirect\n0.750000 0.813193 0.651427 Li\n0.250000 0.186806 0.348573 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.750000 0.328477 0.827951 H\n0.250000 0.671522 0.172049 H\n0.250000 0.432526 0.737400 S\n0.750000 0.567473 0.262600 S\n0.965405 0.386248 0.258020 O\n0.534596 0.386248 0.258020 O\n0.750000 0.794491 0.404277 O\n0.250000 0.205508 0.595722 O\n0.250000 0.276874 0.918015 O\n0.034596 0.613751 0.741980 O\n0.750000 0.116153 0.846409 O\n0.250000 0.883846 0.153591 O\n0.465404 0.613751 0.741980 O\n0.750000 0.723126 0.081985 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Li-O-S",
"density": 3.117416352636201,
"density_atomic": 0.09204864757840187,
"volume": 195.5487720193674,
"volume_molar": 6.542345725254333,
"formula_full": "Li2 Cu2 H2 S2 O10",
"formula_reduced": "LiCuHSO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.052540883333333,
"spacegroup": 11
},
{
"id": "jvasp-8423",
"created_at": "2022-09-04T14:37:11.236615Z",
"updated_at": "2022-09-04T14:37:11.236637Z",
"structure_string": "Ba1 Al1 Co1 Cu1 O5\n1.0\n3.719208 0.000000 0.000000\n-0.000000 3.719208 0.000000\n-0.000000 0.000000 7.392953\nBa Al Co Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.972103 Ba\n0.000000 0.000000 0.462754 Al\n0.500000 0.500000 0.687054 Co\n0.500000 0.500000 0.255414 Cu\n0.000000 0.500000 0.632671 O\n0.500000 0.000000 0.632671 O\n0.000000 0.500000 0.302589 O\n0.500000 0.000000 0.302589 O\n0.500000 0.500000 0.940073 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Co",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Co-Cu-O",
"density": 5.955818694892818,
"density_atomic": 0.08800829948357193,
"volume": 102.26308260483984,
"volume_molar": 6.842696422198365,
"formula_full": "Ba1 Al1 Co1 Cu1 O5",
"formula_reduced": "BaAlCoCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9569608466666664,
"spacegroup": 99
},
{
"id": "jvasp-8409",
"created_at": "2022-09-04T14:37:05.703370Z",
"updated_at": "2022-09-04T14:37:05.703379Z",
"structure_string": "Ba1 Al1 Cu1 Sn1 O5\n1.0\n3.803705 0.000000 0.000000\n0.000000 3.803705 0.000000\n0.000000 0.000000 8.573044\nBa Al Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.047871 Ba\n0.000000 0.000000 0.443035 Al\n0.499999 0.499999 0.283962 Cu\n0.499999 0.499999 0.697131 Sn\n0.000000 0.499999 0.589889 O\n0.499999 0.000000 0.589889 O\n0.000000 0.499999 0.299436 O\n0.499999 0.000000 0.299436 O\n0.499999 0.499999 0.937266 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Sn",
"O"
],
"chemical_system": "Al-Ba-Cu-O-Sn",
"density": 5.710604511704545,
"density_atomic": 0.07255941988355881,
"volume": 124.03627281534129,
"volume_molar": 8.299598824886075,
"formula_full": "Ba1 Al1 Cu1 Sn1 O5",
"formula_reduced": "BaAlCuSnO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.5747209355555556,
"spacegroup": 99
},
{
"id": "jvasp-8425",
"created_at": "2022-09-04T14:37:00.828907Z",
"updated_at": "2022-09-04T14:37:00.828936Z",
"structure_string": "Ba1 Al1 Cr1 Cu1 O5\n1.0\n3.757773 0.000000 0.000000\n0.000000 3.757773 0.000000\n0.000000 -0.000000 7.631716\nBa Al Cr Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.996918 Ba\n0.000000 0.000000 0.457895 Al\n0.500000 0.500000 0.685426 Cr\n0.500000 0.500000 0.270803 Cu\n0.000000 0.500000 0.624194 O\n0.500000 0.000000 0.624194 O\n0.000000 0.500000 0.300818 O\n0.500000 0.000000 0.300818 O\n0.500000 0.500000 0.926856 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cr",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cr-Cu-O",
"density": 5.5447819328168535,
"density_atomic": 0.08351398853676012,
"volume": 107.76637731819616,
"volume_molar": 7.210936593393873,
"formula_full": "Ba1 Al1 Cr1 Cu1 O5",
"formula_reduced": "BaAlCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.125514902222222,
"spacegroup": 99
},
{
"id": "jvasp-63014",
"created_at": "2022-09-04T14:36:05.406779Z",
"updated_at": "2022-09-04T14:36:05.406806Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842816 0.001983\n7.642957 0.000000 0.000000\n0.000000 -0.034316 -9.706679\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991971 0.393734 0.836443 Ca\n0.008028 0.893734 0.663558 Ca\n0.008029 0.606266 0.163558 Ca\n0.991972 0.106266 0.336443 Ca\n0.529274 0.732432 0.915928 Si\n0.470726 0.232431 0.584072 Si\n0.470726 0.267569 0.084072 Si\n0.529274 0.767569 0.415928 Si\n0.428438 0.911357 0.159021 B\n0.571563 0.411357 0.340979 B\n0.571562 0.088644 0.840979 B\n0.428438 0.588644 0.659021 B\n0.809998 0.535167 0.577346 H\n0.190002 0.035167 0.922654 H\n0.809999 0.964834 0.077346 H\n0.190002 0.464834 0.422654 H\n0.678278 0.335247 0.211213 O\n0.261002 0.413732 0.336695 O\n0.738999 0.913732 0.163305 O\n0.687371 0.588975 0.354286 O\n0.312629 0.088975 0.145715 O\n0.312629 0.411025 0.645715 O\n0.687371 0.911026 0.854286 O\n0.321723 0.835248 0.288787 O\n0.678277 0.164753 0.711213 O\n0.241707 0.095476 0.535992 O\n0.325932 0.697581 0.542353 O\n0.674068 0.197580 0.957648 O\n0.674069 0.302420 0.457648 O\n0.325932 0.802420 0.042353 O\n0.758293 0.904525 0.464009 O\n0.241707 0.404524 0.035991 O\n0.261001 0.086268 0.836695 O\n0.758293 0.595476 0.964009 O\n0.321723 0.664753 0.788787 O\n0.738999 0.586269 0.663305 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9576299620212554,
"density_atomic": 0.10020123559687784,
"volume": 359.2770067709796,
"volume_molar": 6.010046407239756,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-86519",
"created_at": "2022-09-04T14:36:06.397511Z",
"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Nd",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-Nd-O",
"density": 4.556519964496791,
"density_atomic": 0.06512084890501171,
"volume": 276.4091731398593,
"volume_molar": 9.247638600019133,
"formula_full": "K2 Na2 Nd2 Nb2 O10",
"formula_reduced": "KNaNdNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9927872666666668,
"spacegroup": 129
},
{
"id": "jvasp-117399",
"created_at": "2022-09-04T14:38:26.451295Z",
"updated_at": "2022-09-04T14:38:26.451326Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n5.169246 -0.059539 1.767628\n-0.550260 5.136205 1.779199\n-0.020934 -0.042312 8.502245\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.006656 0.006655 0.986709 Ba\n0.506649 0.506633 0.986710 Ba\n0.247740 0.247731 0.504523 Y\n0.747732 0.747749 0.504524 Y\n0.362618 0.862608 0.274756 Mn\n0.867500 0.367505 0.265004 Mn\n0.138420 0.638426 0.723151 Co\n0.651393 0.151399 0.697217 Co\n0.097464 0.597448 0.314844 O\n0.587698 0.087703 0.314834 O\n0.408772 0.400201 0.691019 O\n0.900216 0.908797 0.690997 O\n0.484990 0.984949 0.030050 O\n0.408785 0.908785 0.690991 O\n-0.002007 0.498021 0.004014 O\n0.097485 0.087687 0.314814 O\n0.900218 0.400236 0.690995 O\n0.587682 0.597478 0.314848 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Co",
"O"
],
"chemical_system": "Ba-Co-Mn-O-Y",
"density": 6.17118215230401,
"density_atomic": 0.07961739597165947,
"volume": 226.08124493806935,
"volume_molar": 7.563850445628285,
"formula_full": "Ba2 Y2 Mn2 Co2 O10",
"formula_reduced": "BaYMnCoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.6492674512643672,
"spacegroup": 107
},
{
"id": "jvasp-8412",
"created_at": "2022-09-04T14:37:06.263666Z",
"updated_at": "2022-09-04T14:37:06.263691Z",
"structure_string": "Ba1 Y1 Cu1 Bi1 O5\n1.0\n3.924947 0.000000 0.000000\n0.000000 3.924947 0.000000\n-0.000000 0.000000 9.214530\nBa Y Cu Bi O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.052925 Ba\n0.000000 0.000000 0.444468 Y\n0.500000 0.500000 0.266194 Cu\n0.500000 0.500000 0.711550 Bi\n0.000000 0.500000 0.587593 O\n0.500000 0.000000 0.587593 O\n0.000000 0.500000 0.282636 O\n0.500000 0.000000 0.282636 O\n0.500000 0.500000 0.972318 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Cu-O-Y",
"density": 6.770239148935927,
"density_atomic": 0.063401820426233,
"volume": 141.95176005192712,
"volume_molar": 9.498372001805002,
"formula_full": "Ba1 Y1 Cu1 Bi1 O5",
"formula_reduced": "BaYCuBiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.752133741111111,
"spacegroup": 99
},
{
"id": "jvasp-8415",
"created_at": "2022-09-04T14:36:48.270774Z",
"updated_at": "2022-09-04T14:36:48.270794Z",
"structure_string": "Ba1 Y1 Cr1 Cu1 O5\n1.0\n3.898391 0.000000 0.000000\n0.000000 3.898391 -0.000000\n0.000000 -0.000000 7.622021\nBa Y Cr Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.015152 Ba\n0.000000 0.000000 0.542796 Y\n0.500000 0.500000 0.303399 Cr\n0.500000 0.500000 0.740630 Cu\n0.500000 0.000000 0.350478 O\n0.000000 0.500000 0.350478 O\n0.500000 0.000000 0.722372 O\n0.000000 0.500000 0.722372 O\n0.500000 0.500000 0.064400 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cr",
"Cu",
"O"
],
"chemical_system": "Ba-Cr-Cu-O-Y",
"density": 6.046246632811727,
"density_atomic": 0.07769652172114838,
"volume": 115.83530125455115,
"volume_molar": 7.750849879243463,
"formula_full": "Ba1 Y1 Cr1 Cu1 O5",
"formula_reduced": "BaYCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.230797418888888,
"spacegroup": 99
},
{
"id": "jvasp-8413",
"created_at": "2022-09-04T14:37:06.222864Z",
"updated_at": "2022-09-04T14:37:06.222883Z",
"structure_string": "Ba1 Al1 Fe1 Cu1 O5\n1.0\n3.734589 0.000000 0.000000\n0.000000 3.734589 0.000000\n-0.000000 0.000000 7.790648\nBa Al Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005583 Ba\n0.000000 0.000000 0.466074 Al\n0.500000 0.500000 0.687171 Fe\n0.500000 0.500000 0.272597 Cu\n0.000000 0.500000 0.615062 O\n0.500000 0.000000 0.615062 O\n0.000000 0.500000 0.299666 O\n0.500000 0.000000 0.299666 O\n0.500000 0.500000 0.927037 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Fe",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-Fe-O",
"density": 5.558134545692788,
"density_atomic": 0.08282916814065329,
"volume": 108.65737519803389,
"volume_molar": 7.270555645052144,
"formula_full": "Ba1 Al1 Fe1 Cu1 O5",
"formula_reduced": "BaAlFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.96729358,
"spacegroup": 99
}
]
}