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=-nsites&page=631",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=629",
"results": [
{
"id": "jvasp-98841",
"created_at": "2022-09-04T14:36:06.910990Z",
"updated_at": "2022-09-04T14:36:06.911017Z",
"structure_string": "K2 Na4 Al2 H12\n1.0\n6.681167 0.000000 0.293252\n0.000000 4.587171 0.000000\n0.252715 0.000000 11.064138\nK Na Al H\n2 4 2 12\ndirect\n0.611386 0.436478 0.209468 K\n0.388614 0.936478 0.790532 K\n0.878715 0.552624 0.773998 Na\n0.171935 0.620105 0.454272 Na\n0.121285 0.052624 0.226002 Na\n0.828065 0.120105 0.545728 Na\n0.097285 0.433288 0.993857 Al\n0.902715 0.933287 0.006143 Al\n0.951780 0.310291 0.375073 H\n0.640880 0.353164 0.681298 H\n0.048219 0.810291 0.624927 H\n0.783402 0.931302 0.144374 H\n0.413831 0.265691 0.533754 H\n0.216598 0.431302 0.855626 H\n0.720607 0.900274 0.911362 H\n0.586168 0.765691 0.466246 H\n0.359120 0.853164 0.318702 H\n0.377292 0.186782 0.479080 H\n0.622708 0.686782 0.520920 H\n0.279392 0.400274 0.088638 H\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"H"
],
"chemical_system": "Al-H-K-Na",
"density": 1.157912039386488,
"density_atomic": 0.059040601134201495,
"volume": 338.7499384455665,
"volume_molar": 10.199999058802684,
"formula_full": "K2 Na4 Al2 H12",
"formula_reduced": "KNa2AlH6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7548318799999998,
"spacegroup": 4
},
{
"id": "jvasp-89614",
"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-Na",
"density": 4.0982616663296865,
"density_atomic": 0.037401346753424054,
"volume": 534.7401025918678,
"volume_molar": 16.101400839125343,
"formula_full": "Na4 Hg4 Cl12",
"formula_reduced": "NaHgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-87193",
"created_at": "2022-09-04T14:36:01.269319Z",
"updated_at": "2022-09-04T14:36:01.269346Z",
"structure_string": "Sm4 Fe4 O12\n1.0\n5.327331 -0.000000 0.000000\n0.000000 5.566075 0.000000\n0.000000 0.000000 7.590600\nSm Fe O\n4 4 12\ndirect\n0.514623 0.561811 0.250000 Sm\n0.985378 0.061812 0.250000 Sm\n0.485377 0.438188 0.750000 Sm\n0.014623 0.938188 0.750000 Sm\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.499999 Fe\n0.000000 0.500000 0.499999 Fe\n0.416610 0.981993 0.250000 O\n0.916610 0.518005 0.750000 O\n0.703589 0.295772 0.456087 O\n0.703589 0.295772 0.043914 O\n0.203591 0.204227 0.956086 O\n0.796409 0.795772 0.456087 O\n0.296410 0.704227 0.543913 O\n0.296410 0.704227 0.956086 O\n0.796409 0.795772 0.043914 O\n0.203591 0.204227 0.543913 O\n0.083391 0.481994 0.250000 O\n0.583389 0.018006 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sm",
"density": 7.501623450902076,
"density_atomic": 0.08885771769486192,
"volume": 225.07892976364926,
"volume_molar": 6.777284985734247,
"formula_full": "Sm4 Fe4 O12",
"formula_reduced": "SmFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.076586975,
"spacegroup": 62
},
{
"id": "jvasp-4606",
"created_at": "2022-09-04T14:36:07.117349Z",
"updated_at": "2022-09-04T14:36:07.117374Z",
"structure_string": "Sc2 Ag2 P4 S12\n1.0\n3.098336 -5.366475 0.000000\n3.098336 5.366475 0.000000\n0.000000 0.000000 12.899013\nSc Ag P S\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666668 0.250000 Ag\n0.666668 0.333333 0.750000 Ag\n0.666668 0.333333 0.336642 P\n0.666668 0.333333 0.163358 P\n0.333333 0.666668 0.663357 P\n0.333333 0.666668 0.836642 P\n0.305582 0.336590 0.619748 S\n0.031009 0.694419 0.619748 S\n0.663411 0.968993 0.619748 S\n0.031009 0.336590 0.880251 S\n0.663411 0.694419 0.880251 S\n0.336590 0.031009 0.380252 S\n0.694419 0.663411 0.380252 S\n0.968993 0.305582 0.380252 S\n0.694419 0.031009 0.119748 S\n0.968993 0.663411 0.119748 S\n0.305582 0.968993 0.880251 S\n0.336590 0.305582 0.119748 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S-Sc",
"density": 3.1524038122907183,
"density_atomic": 0.046625756991839636,
"volume": 428.9474593088187,
"volume_molar": 12.915909893010392,
"formula_full": "Sc2 Ag2 P4 S12",
"formula_reduced": "ScAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.282615351,
"spacegroup": 163
},
{
"id": "jvasp-50354",
"created_at": "2022-09-04T14:36:07.892831Z",
"updated_at": "2022-09-04T14:36:07.892857Z",
"structure_string": "Ta4 Cu4 O12\n1.0\n4.784801 4.296436 0.017944\n-4.784801 4.296436 -0.017944\n-0.087466 0.000000 6.820111\nTa Cu O\n4 4 12\ndirect\n0.252893 0.747107 0.230730 Ta\n0.200132 0.200132 -0.000000 Ta\n0.799869 0.799869 -0.000000 Ta\n0.747107 0.252894 0.769270 Ta\n0.224856 0.775146 0.709069 Cu\n0.159279 0.159280 0.500000 Cu\n0.840721 0.840721 0.500000 Cu\n0.775145 0.224857 0.290931 Cu\n0.469441 0.207988 0.890788 O\n0.792013 0.530560 0.890788 O\n0.259681 0.066992 0.259815 O\n0.933009 0.740320 0.259815 O\n0.740319 0.933009 0.740185 O\n0.320574 0.679427 0.481450 O\n0.530560 0.792013 0.109212 O\n0.207988 0.469441 0.109212 O\n0.679427 0.320574 0.518550 O\n0.129320 0.870681 0.944576 O\n0.066992 0.259682 0.740185 O\n0.870680 0.129321 0.055424 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 6.92801224942866,
"density_atomic": 0.07132067467857876,
"volume": 280.42359512349117,
"volume_molar": 8.443751811294568,
"formula_full": "Ta4 Cu4 O12",
"formula_reduced": "TaCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.43014803,
"spacegroup": 12
},
{
"id": "jvasp-98938",
"created_at": "2022-09-04T14:35:54.484382Z",
"updated_at": "2022-09-04T14:35:54.484409Z",
"structure_string": "Ba4 Si4 O12\n1.0\n4.614063 0.000000 0.000000\n0.000000 5.644155 0.000000\n0.000000 0.000000 12.509433\nBa Si O\n4 4 12\ndirect\n0.771750 0.186780 0.357914 Ba\n0.228250 0.686780 0.142086 Ba\n0.728249 0.813219 0.857914 Ba\n0.271750 0.313219 0.642085 Ba\n0.326150 0.699943 0.426315 Si\n0.826150 0.800056 0.573685 Si\n0.673849 0.199943 0.073685 Si\n0.173850 0.300056 0.926315 Si\n0.818465 0.280874 0.955673 O\n0.318465 0.219125 0.044327 O\n0.239847 0.576969 0.904452 O\n0.258307 0.888116 0.332540 O\n0.758307 0.611883 0.667460 O\n0.741692 0.388116 0.167460 O\n0.241692 0.111883 0.832540 O\n0.260152 0.423030 0.404452 O\n0.760152 0.076969 0.595548 O\n0.739847 0.923030 0.095548 O\n0.681534 0.719125 0.455673 O\n0.181534 0.780874 0.544326 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Si",
"O"
],
"chemical_system": "Ba-O-Si",
"density": 4.3511614871849,
"density_atomic": 0.06139173657734525,
"volume": 325.77674317459184,
"volume_molar": 9.809367018658806,
"formula_full": "Ba4 Si4 O12",
"formula_reduced": "BaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5244430139999998,
"spacegroup": 19
},
{
"id": "jvasp-98274",
"created_at": "2022-09-04T14:36:05.333745Z",
"updated_at": "2022-09-04T14:36:05.333764Z",
"structure_string": "Lu4 Si10 Ir6\n1.0\n5.417308 -0.000000 2.063340\n2.370209 7.510427 1.920259\n0.014101 -0.025067 8.106230\nLu Si Ir\n4 10 6\ndirect\n0.631513 0.096046 0.640929 Lu\n0.368487 0.903954 0.359071 Lu\n0.868487 0.359071 0.903954 Lu\n0.131513 0.640929 0.096046 Lu\n0.750000 -0.000000 -0.000000 Si\n0.024222 0.725778 0.725778 Si\n0.394865 0.448776 0.761494 Si\n0.105135 0.238506 0.551224 Si\n0.605135 0.551224 0.238506 Si\n0.250000 -0.000000 -0.000000 Si\n0.475778 0.274222 0.274222 Si\n0.894865 0.761494 0.448776 Si\n0.975778 0.274222 0.274222 Si\n0.524222 0.725778 0.725778 Si\n0.250000 0.500000 0.500000 Ir\n0.140283 0.976003 0.743431 Ir\n0.359717 0.256569 0.023997 Ir\n0.640283 0.743431 0.976003 Ir\n0.859717 0.023997 0.256569 Ir\n0.750000 0.500000 0.500000 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Si",
"Ir"
],
"chemical_system": "Ir-Lu-Si",
"density": 10.747002068441146,
"density_atomic": 0.060655296190559684,
"volume": 329.7321298566633,
"volume_molar": 9.928466495457126,
"formula_full": "Lu4 Si10 Ir6",
"formula_reduced": "Lu2Si5Ir3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.77154678,
"spacegroup": 72
},
{
"id": "jvasp-98737",
"created_at": "2022-09-04T14:36:02.270387Z",
"updated_at": "2022-09-04T14:36:02.270408Z",
"structure_string": "Mn4 Tl4 Cl12\n1.0\n7.047352 -0.000000 0.000000\n0.000000 7.045364 0.000000\n0.000000 0.000000 10.054376\nMn Tl Cl\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.970927 0.004698 0.750000 Tl\n0.529073 0.504698 0.250000 Tl\n0.029073 0.995301 0.250000 Tl\n0.470927 0.495301 0.750000 Tl\n0.499726 0.045768 0.250000 Cl\n-0.000274 0.454232 0.250000 Cl\n0.716694 0.283461 0.522847 Cl\n0.716694 0.283461 0.977153 Cl\n0.216694 0.216539 0.522847 Cl\n0.783305 0.783461 0.022847 Cl\n0.283306 0.716539 0.477153 Cl\n0.283306 0.716539 0.022847 Cl\n0.783305 0.783461 0.477153 Cl\n0.216694 0.216539 0.977153 Cl\n0.500273 0.954231 0.750000 Cl\n0.000274 0.545768 0.750000 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"Cl"
],
"chemical_system": "Cl-Mn-Tl",
"density": 4.865485520102556,
"density_atomic": 0.04006318507209497,
"volume": 499.21143224157953,
"volume_molar": 15.03160756979997,
"formula_full": "Mn4 Tl4 Cl12",
"formula_reduced": "MnTlCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.611358408775862,
"spacegroup": 62
},
{
"id": "jvasp-50815",
"created_at": "2022-09-04T14:36:08.702765Z",
"updated_at": "2022-09-04T14:36:08.702795Z",
"structure_string": "Li10 In2 O8\n1.0\n4.734873 0.000000 0.000000\n0.000000 6.506590 0.000000\n0.000000 0.000000 6.975213\nLi In O\n10 2 8\ndirect\n0.244182 0.743203 0.689609 Li\n0.755817 0.243203 0.810390 Li\n0.241098 0.500000 0.000000 Li\n0.755817 0.243203 0.189610 Li\n0.755817 0.756797 0.189610 Li\n0.755817 0.756797 0.810390 Li\n0.244182 0.743203 0.310390 Li\n0.758902 0.000000 0.500000 Li\n0.244182 0.256797 0.689609 Li\n0.244182 0.256797 0.310390 Li\n0.766974 0.500000 0.500000 In\n0.233025 0.000000 0.000000 In\n0.474264 0.261476 0.000000 O\n0.007329 0.500000 0.751791 O\n0.525735 0.761476 0.500000 O\n0.525735 0.238524 0.500000 O\n0.007329 0.500000 0.248209 O\n0.992671 0.000000 0.251791 O\n0.474264 0.738524 0.000000 O\n0.992671 0.000000 0.748209 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"In",
"O"
],
"chemical_system": "In-Li-O",
"density": 3.2998912229561475,
"density_atomic": 0.09307022106624815,
"volume": 214.89150633653094,
"volume_molar": 6.470534496435106,
"formula_full": "Li10 In2 O8",
"formula_reduced": "Li5InO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3201203970000002,
"spacegroup": 59
},
{
"id": "jvasp-49837",
"created_at": "2022-09-04T14:35:54.352477Z",
"updated_at": "2022-09-04T14:35:54.352504Z",
"structure_string": "Al8 O12\n1.0\n0.000000 5.396913 0.002284\n8.286348 0.000000 0.000000\n0.000000 -2.610614 -4.825187\nAl O\n8 12\ndirect\n0.949068 0.956929 0.232656 Al\n0.949068 0.543072 0.732657 Al\n0.533867 0.656277 0.238984 Al\n0.466133 0.156276 0.261017 Al\n0.533868 0.843724 0.738984 Al\n0.466134 0.343724 0.761018 Al\n0.050932 0.456929 0.267345 Al\n0.050933 0.043071 0.767345 Al\n0.825904 0.390378 0.894282 O\n0.749903 0.479167 0.328375 O\n0.250097 0.979167 0.171626 O\n0.680066 0.794760 0.098748 O\n0.319935 0.205240 0.901253 O\n0.319935 0.294760 0.401253 O\n0.250098 0.520833 0.671627 O\n0.174097 0.609622 0.105719 O\n0.680066 0.705240 0.598748 O\n0.174097 0.890379 0.605720 O\n0.749903 0.020833 0.828375 O\n0.825903 0.109622 0.394282 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.139215088500627,
"density_atomic": 0.09270575881624855,
"volume": 215.73632809199978,
"volume_molar": 6.495972674077825,
"formula_full": "Al8 O12",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.61741322,
"spacegroup": 14
},
{
"id": "jvasp-95497",
"created_at": "2022-09-04T14:36:01.127151Z",
"updated_at": "2022-09-04T14:36:01.127172Z",
"structure_string": "Na2 Tb2 Mn2 W2 O12\n1.0\n5.307674 0.000000 -0.022787\n0.000000 5.449575 0.000000\n0.015067 0.000000 7.687482\nTb Na Mn W O\n2 2 2 2 12\ndirect\n0.736846 0.780054 0.499155 Tb\n0.263154 0.280054 0.500845 Tb\n0.755675 0.691216 0.998177 Na\n0.244325 0.191215 0.001823 Na\n0.247927 0.722740 0.751731 Mn\n0.752073 0.222740 0.248268 Mn\n0.240510 0.723018 0.231510 W\n0.759490 0.223017 0.768489 W\n0.050411 0.429046 0.780259 O\n0.045376 0.428215 0.218976 O\n0.316561 0.738634 -0.003870 O\n0.545601 0.509659 0.694634 O\n0.683438 0.238634 0.003870 O\n0.537795 0.514795 0.305211 O\n0.949589 0.929047 0.219740 O\n0.462205 0.014794 0.694788 O\n0.841554 0.198228 0.501331 O\n0.954624 0.928215 0.781023 O\n0.454399 0.009659 0.305365 O\n0.158446 0.698228 0.498669 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Tb",
"Na",
"Mn",
"W",
"O"
],
"chemical_system": "Mn-Na-O-Tb-W",
"density": 7.7171002596148695,
"density_atomic": 0.0899446539108133,
"volume": 222.3589633223945,
"volume_molar": 6.695384881875685,
"formula_full": "Na2 Tb2 Mn2 W2 O12",
"formula_reduced": "NaTbMnWO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 3.023022564137931,
"spacegroup": 4
},
{
"id": "jvasp-96809",
"created_at": "2022-09-04T14:36:06.670032Z",
"updated_at": "2022-09-04T14:36:06.670049Z",
"structure_string": "Na4 Mn4 F12\n1.0\n5.521959 -0.000000 0.000000\n0.000000 5.779521 0.000000\n0.000000 0.000000 7.996292\nNa Mn F\n4 4 12\ndirect\n0.481940 0.937800 0.250000 Na\n0.981940 0.562200 0.750000 Na\n0.018061 0.437800 0.250000 Na\n0.518061 0.062200 0.750000 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.310635 0.194774 0.435026 F\n0.810635 0.305226 0.564974 F\n0.189366 0.694774 0.435026 F\n0.689366 0.805226 0.564974 F\n0.310635 0.194774 0.064974 F\n0.123820 0.944447 0.750000 F\n0.376180 0.444447 0.750000 F\n0.876180 0.055553 0.250000 F\n0.689366 0.805226 0.935026 F\n0.623820 0.555553 0.250000 F\n0.810635 0.305226 0.935026 F\n0.189366 0.694774 0.064974 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Mn",
"F"
],
"chemical_system": "F-Mn-Na",
"density": 3.511732979119084,
"density_atomic": 0.07837116939324859,
"volume": 255.19588587028193,
"volume_molar": 7.684127730418664,
"formula_full": "Na4 Mn4 F12",
"formula_reduced": "NaMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2195003553505746,
"spacegroup": 62
}
]
}