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=1167",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1165",
"results": [
{
"id": "jvasp-40994",
"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "H-Ni-O-P-Sr",
"density": 3.913203121224911,
"density_atomic": 0.10389142262685175,
"volume": 182.88324020975784,
"volume_molar": 5.796571658884493,
"formula_full": "Sr1 Ni2 P2 H4 O10",
"formula_reduced": "SrNi2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.6844530057894733,
"spacegroup": 12
},
{
"id": "jvasp-65355",
"created_at": "2022-09-04T14:35:50.766627Z",
"updated_at": "2022-09-04T14:35:50.766652Z",
"structure_string": "Ba1 Sc2 Nb1\n1.0\n3.343904 -0.000000 0.000000\n0.000000 3.345099 0.000000\n0.000000 0.000000 9.923806\nBa Sc Nb\n1 2 1\ndirect\n0.499999 0.500000 0.000000 Ba\n0.000000 0.000000 0.680959 Sc\n0.000000 0.000000 0.319042 Sc\n0.499999 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Nb"
],
"chemical_system": "Ba-Nb-Sc",
"density": 4.78911268305497,
"density_atomic": 0.036034537256819286,
"volume": 111.00461680670057,
"volume_molar": 16.712135685495312,
"formula_full": "Ba1 Sc2 Nb1",
"formula_reduced": "BaSc2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6844389675,
"spacegroup": 123
},
{
"id": "jvasp-20997",
"created_at": "2022-09-04T14:37:36.723066Z",
"updated_at": "2022-09-04T14:37:36.723086Z",
"structure_string": "Al4 S6 O24\n1.0\n7.112119 0.000807 4.730684\n2.535384 6.644852 4.730684\n0.001172 0.000807 8.541756\nAl S O\n4 6 24\ndirect\n0.142958 0.142959 0.142958 Al\n0.857041 0.857042 0.857041 Al\n0.352181 0.352182 0.352182 Al\n0.647818 0.647819 0.647818 Al\n0.751519 0.036406 0.460439 S\n0.539560 0.248480 0.963595 S\n0.248479 0.963595 0.539561 S\n0.460439 0.751519 0.036405 S\n0.963594 0.539561 0.248479 S\n0.036405 0.460439 0.751519 S\n0.156668 0.520176 0.227407 O\n0.885480 0.737643 0.107209 O\n0.737642 0.107210 0.885480 O\n0.772592 0.843332 0.479824 O\n0.843331 0.479825 0.772593 O\n0.479824 0.772593 0.843332 O\n0.227407 0.156669 0.520176 O\n0.544934 0.182916 0.478976 O\n0.006799 0.619195 0.797447 O\n0.619195 0.797446 0.006799 O\n0.202553 0.993201 0.380805 O\n0.993201 0.380805 0.202553 O\n0.380804 0.202554 0.993201 O\n0.107209 0.885480 0.737643 O\n0.262357 0.892790 0.114520 O\n0.114520 0.262358 0.892791 O\n0.892790 0.114520 0.262357 O\n0.521023 0.455066 0.817084 O\n0.817084 0.521024 0.455065 O\n0.455065 0.817084 0.521024 O\n0.478976 0.544935 0.182916 O\n0.182916 0.478976 0.544935 O\n0.797446 0.006800 0.619195 O\n0.520176 0.227407 0.156668 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S",
"density": 2.81541552321552,
"density_atomic": 0.08424122372449856,
"volume": 403.60287394676476,
"volume_molar": 7.148686229552806,
"formula_full": "Al4 S6 O24",
"formula_reduced": "Al2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 2.684434564705882,
"spacegroup": 148
},
{
"id": "jvasp-59638",
"created_at": "2022-09-04T14:37:36.028855Z",
"updated_at": "2022-09-04T14:37:36.028882Z",
"structure_string": "Dy2 Fe8 Ge4\n1.0\n3.777210 0.000000 0.000000\n0.000000 7.229307 -0.010184\n0.000000 0.010202 7.229307\nDy Fe Ge\n2 8 4\ndirect\n0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.582646 0.140245 Fe\n0.500000 0.140244 0.582646 Fe\n0.000000 0.359751 0.082644 Fe\n0.000000 0.640249 0.917357 Fe\n0.000000 0.082643 0.359752 Fe\n0.500000 0.859756 0.417355 Fe\n0.500000 0.417354 0.859756 Fe\n0.000000 0.917357 0.640249 Fe\n0.000000 0.781526 0.218474 Ge\n0.500000 0.281525 0.281525 Ge\n0.000000 0.218474 0.781527 Ge\n0.500000 0.718475 0.718476 Ge\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Ge"
],
"chemical_system": "Dy-Fe-Ge",
"density": 8.935916982594382,
"density_atomic": 0.07091901674677725,
"volume": 197.4082642739995,
"volume_molar": 8.491573961752174,
"formula_full": "Dy2 Fe8 Ge4",
"formula_reduced": "Dy(Fe2Ge)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6843843428571423,
"spacegroup": 136
},
{
"id": "jvasp-58484",
"created_at": "2022-09-04T14:38:19.222798Z",
"updated_at": "2022-09-04T14:38:19.222836Z",
"structure_string": "Mg1 Ti4 S8\n1.0\n5.910067 -0.149848 4.254965\n2.097944 5.527203 4.254965\n-0.223154 -0.149848 7.278999\nMg Ti S\n1 4 8\ndirect\n0.500000 0.500000 0.499998 Mg\n0.500001 0.999998 0.500000 Ti\n1.000000 0.499999 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.755026 0.251887 0.755024 S\n0.244975 0.244975 0.748112 S\n0.244974 0.748113 0.244974 S\n0.748112 0.244975 0.244975 S\n0.255930 0.255931 0.255930 S\n0.744070 0.744069 0.744069 S\n0.251889 0.755025 0.755024 S\n0.755026 0.755025 0.251887 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 3.163795035777442,
"density_atomic": 0.05244342973995551,
"volume": 247.8861520777994,
"volume_molar": 11.483117694363651,
"formula_full": "Mg1 Ti4 S8",
"formula_reduced": "Mg(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.684302491025641,
"spacegroup": 166
},
{
"id": "jvasp-115267",
"created_at": "2022-09-04T14:38:45.958519Z",
"updated_at": "2022-09-04T14:38:45.958542Z",
"structure_string": "Nb1 O3\n1.0\n3.695428 -1.020156 0.172465\n1.534203 -4.397053 0.411126\n1.296528 -0.946513 -2.944093\nNb O\n1 3\ndirect\n0.888181 0.774174 -0.036049 Nb\n0.240130 0.860847 0.242626 O\n0.515323 0.264888 0.896385 O\n0.868029 0.547981 0.574901 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.215998408589901,
"density_atomic": 0.08917091731530519,
"volume": 44.85767468171424,
"volume_molar": 6.753480777489285,
"formula_full": "Nb1 O3",
"formula_reduced": "NbO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.684204975,
"spacegroup": 8
},
{
"id": "jvasp-29590",
"created_at": "2022-09-04T14:36:41.254610Z",
"updated_at": "2022-09-04T14:36:41.254641Z",
"structure_string": "B4 N4\n1.0\n3.550709 -0.202991 0.000000\n-1.261175 4.580542 0.000000\n0.000000 0.000000 4.935103\nB N\n4 4\ndirect\n0.858311 0.358394 0.357292 B\n0.141690 0.641606 0.642707 B\n0.641690 0.141606 0.857292 B\n0.358312 0.858394 0.142707 B\n0.158101 0.657016 0.343771 N\n0.658100 0.157016 0.156229 N\n0.841901 0.342984 0.656228 N\n0.341901 0.842984 0.843771 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.086569518573892,
"density_atomic": 0.101263335044906,
"volume": 79.00194079577113,
"volume_molar": 5.947010097316502,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6840629166666665,
"spacegroup": 14
},
{
"id": "jvasp-68575",
"created_at": "2022-09-04T14:35:53.218929Z",
"updated_at": "2022-09-04T14:35:53.218939Z",
"structure_string": "Hf1 Be1 Sb2\n1.0\n-2.029882 2.029882 5.096388\n2.029882 -2.029882 5.096388\n2.029882 2.029882 -5.096388\nHf Be Sb\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Sb\n0.250000 0.750000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Sb"
],
"chemical_system": "Be-Hf-Sb",
"density": 8.520884095155633,
"density_atomic": 0.04762071705943474,
"volume": 83.99705521039628,
"volume_molar": 12.646052247562446,
"formula_full": "Hf1 Be1 Sb2",
"formula_reduced": "HfBeSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.683957825,
"spacegroup": 119
},
{
"id": "jvasp-15856",
"created_at": "2022-09-04T14:37:55.219878Z",
"updated_at": "2022-09-04T14:37:55.219900Z",
"structure_string": "Pr3 Al1 C1\n1.0\n5.137193 0.000000 0.000000\n0.000000 5.137193 0.000000\n0.000000 0.000000 5.137193\nPr Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"C"
],
"chemical_system": "Al-C-Pr",
"density": 5.655169319191694,
"density_atomic": 0.036880122762302014,
"volume": 135.57438602430253,
"volume_molar": 16.328960721778532,
"formula_full": "Pr3 Al1 C1",
"formula_reduced": "Pr3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6838824700000004,
"spacegroup": 221
},
{
"id": "jvasp-105847",
"created_at": "2022-09-04T14:36:15.663354Z",
"updated_at": "2022-09-04T14:36:15.663384Z",
"structure_string": "Pr3 Hf1\n1.0\n4.572568 0.028495 -4.048649\n-0.908428 4.481512 -4.048649\n-0.023151 -0.028495 6.107324\nPr Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.749999 0.499999 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Hf"
],
"chemical_system": "Hf-Pr",
"density": 8.034277586376836,
"density_atomic": 0.032190624334884795,
"volume": 124.2597831712516,
"volume_molar": 18.707747626608906,
"formula_full": "Pr3 Hf1",
"formula_reduced": "Pr3Hf",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6838206375,
"spacegroup": 139
},
{
"id": "jvasp-62744",
"created_at": "2022-09-04T14:35:55.961285Z",
"updated_at": "2022-09-04T14:35:55.961311Z",
"structure_string": "Tb1 Ni12 B6\n1.0\n3.688691 -4.759252 -0.007066\n3.688691 4.759252 -0.007066\n-2.441270 0.000000 5.504286\nTb Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.452575 0.452575 0.186427 Ni\n0.452575 0.186427 0.452575 Ni\n0.547425 0.547425 0.813572 Ni\n0.813572 0.547425 0.547424 Ni\n0.547425 0.813572 0.547424 Ni\n0.869708 0.500000 0.130291 Ni\n0.130291 0.869708 0.500000 Ni\n0.186427 0.452575 0.452575 Ni\n0.500000 0.130291 0.869709 Ni\n0.869708 0.130291 0.500000 Ni\n0.500000 0.869708 0.130291 Ni\n0.130291 0.500000 0.869709 Ni\n0.670367 0.235325 0.235324 B\n0.235325 0.235325 0.670367 B\n0.235325 0.670367 0.235324 B\n0.764675 0.764675 0.329632 B\n0.329633 0.764675 0.764675 B\n0.764675 0.329633 0.764675 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"B"
],
"chemical_system": "B-Ni-Tb",
"density": 7.981356800098305,
"density_atomic": 0.0983967539191381,
"volume": 193.09580085959027,
"volume_molar": 6.120263647059903,
"formula_full": "Tb1 Ni12 B6",
"formula_reduced": "Tb(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.6838096157894737,
"spacegroup": 166
},
{
"id": "jvasp-119165",
"created_at": "2022-09-04T14:38:53.150753Z",
"updated_at": "2022-09-04T14:38:53.150778Z",
"structure_string": "Na1 Ti6 Se8\n1.0\n9.809399 0.000000 0.000000\n-4.904699 8.495189 0.000000\n-0.000000 -0.000000 3.631415\nNa Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.499999 Na\n0.128504 0.491887 0.749288 Ti\n0.508113 0.636618 0.749288 Ti\n0.363382 0.871496 0.749288 Ti\n0.871496 0.508113 0.250711 Ti\n0.491887 0.363382 0.250711 Ti\n0.636618 0.128504 0.250711 Ti\n0.666667 0.333333 0.750494 Se\n0.333333 0.666667 0.249505 Se\n0.295646 0.343451 0.751200 Se\n0.656549 0.952195 0.751200 Se\n0.047805 0.704354 0.751200 Se\n0.704354 0.656549 0.248798 Se\n0.343451 0.047805 0.248798 Se\n0.952195 0.295646 0.248798 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Se"
],
"chemical_system": "Na-Se-Ti",
"density": 5.168321826247975,
"density_atomic": 0.04956783272928019,
"volume": 302.61561125587315,
"volume_molar": 12.149292047708725,
"formula_full": "Na1 Ti6 Se8",
"formula_reduced": "Na(Ti3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 2.683742395555556,
"spacegroup": 147
}
]
}