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=379",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=377",
"results": [
{
"id": "jvasp-88037",
"created_at": "2022-09-04T14:36:06.746306Z",
"updated_at": "2022-09-04T14:36:06.746329Z",
"structure_string": "W4 O4 F16\n1.0\n5.043740 -0.024561 -0.280735\n-0.638604 7.735229 -3.194133\n-0.031304 0.004805 8.393036\nW O F\n4 4 16\ndirect\n0.238407 0.754961 0.754962 W\n0.761594 0.245038 0.245038 W\n0.000001 0.807445 0.192556 W\n1.000001 0.192555 0.807444 W\n0.879017 0.025761 0.219127 O\n0.120985 0.780872 0.974240 O\n0.120985 0.974239 0.780873 O\n0.879017 0.219127 0.025761 O\n0.330627 0.915688 0.306388 F\n0.090041 0.357354 0.357355 F\n0.575343 0.862555 0.862556 F\n0.122809 0.171413 0.594528 F\n0.639230 0.458181 0.269274 F\n0.360771 0.541819 0.730726 F\n0.424658 0.137445 0.137444 F\n0.877192 0.405471 0.828587 F\n0.877192 0.828587 0.405472 F\n0.122809 0.594528 0.171413 F\n0.330627 0.306387 0.915688 F\n0.669375 0.084312 0.693612 F\n0.909960 0.642645 0.642646 F\n0.639230 0.269274 0.458181 F\n0.360771 0.730726 0.541819 F\n0.669375 0.693613 0.084312 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"W",
"O",
"F"
],
"chemical_system": "F-O-W",
"density": 5.597248802372581,
"density_atomic": 0.07332136170238214,
"volume": 327.3261631094375,
"volume_molar": 8.213350952815633,
"formula_full": "W4 O4 F16",
"formula_reduced": "WOF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3587841050000002,
"spacegroup": 12
},
{
"id": "jvasp-44296",
"created_at": "2022-09-04T14:36:07.842439Z",
"updated_at": "2022-09-04T14:36:07.842457Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381567 -5.412545 -0.019271\n4.381567 5.412545 -0.019271\n-0.021161 0.000000 4.883059\nMn O F\n8 14 2\ndirect\n0.426938 0.064540 0.272163 Mn\n0.073547 0.427975 0.741890 Mn\n0.935235 0.079906 0.232823 Mn\n0.579906 0.435236 0.732823 Mn\n0.421333 0.584563 0.253964 Mn\n0.084563 0.921333 0.753964 Mn\n0.564540 0.926938 0.772164 Mn\n0.927976 0.573547 0.241890 Mn\n0.941196 0.826694 0.073918 O\n0.825319 0.440878 0.910839 O\n0.940878 0.325319 0.410839 O\n0.439775 0.826442 0.434788 O\n0.326443 0.939774 0.934788 O\n0.673398 0.559692 0.412375 O\n0.556544 0.673949 0.923801 O\n0.058153 0.673178 0.575117 O\n0.560100 0.173541 0.591025 O\n0.173178 0.558153 0.075117 O\n0.673540 0.060100 0.091025 O\n0.173948 0.056544 0.423801 O\n0.059692 0.173397 0.912375 O\n0.326694 0.441196 0.573918 O\n0.438074 0.319040 0.077298 F\n0.819041 0.938074 0.577298 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.029532602381283,
"density_atomic": 0.10362548467989316,
"volume": 231.6032593153874,
"volume_molar": 5.811447616966852,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.2680186456681035,
"spacegroup": 9
},
{
"id": "jvasp-62270",
"created_at": "2022-09-04T14:35:56.676756Z",
"updated_at": "2022-09-04T14:35:56.676784Z",
"structure_string": "Dy6 Al2 Co2 S14\n1.0\n4.732748 -8.197360 -0.000000\n4.732749 8.197359 -0.000000\n0.000000 0.000000 6.153461\nDy Al Co S\n6 2 2 14\ndirect\n0.159675 0.784632 0.774805 Dy\n0.624957 0.840325 0.774805 Dy\n0.215369 0.375043 0.774805 Dy\n0.840325 0.215369 0.274805 Dy\n0.375043 0.159675 0.274805 Dy\n0.784632 0.624957 0.274805 Dy\n0.333333 0.666667 0.347966 Al\n0.666667 0.333333 0.847966 Al\n0.000000 0.000000 0.935490 Co\n0.000000 0.000000 0.435490 Co\n0.914252 0.476998 0.000299 S\n0.523002 0.437253 0.000299 S\n0.562747 0.085748 0.000299 S\n0.085748 0.523002 0.500299 S\n0.476998 0.562747 0.500299 S\n0.437254 0.914252 0.500299 S\n0.773691 0.900587 0.180497 S\n0.226309 0.099414 0.680497 S\n0.900587 0.126895 0.680497 S\n0.126895 0.226309 0.180497 S\n0.333333 0.666667 0.985734 S\n0.099414 0.873105 0.180497 S\n0.873106 0.773691 0.680497 S\n0.666667 0.333333 0.485734 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Al",
"Co",
"S"
],
"chemical_system": "Al-Co-Dy-S",
"density": 5.549760322277193,
"density_atomic": 0.05026600676644484,
"volume": 477.45984898926247,
"volume_molar": 11.980543407757008,
"formula_full": "Dy6 Al2 Co2 S14",
"formula_reduced": "Dy3AlCoS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.1410960999999995,
"spacegroup": 173
},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
"density": 5.3047688628690475,
"density_atomic": 0.08613926475227533,
"volume": 278.61858432412555,
"volume_molar": 6.991168054799223,
"formula_full": "Mn3 Cr2 Sb3 O16",
"formula_reduced": "Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.4233879510057474,
"spacegroup": 8
},
{
"id": "jvasp-11972",
"created_at": "2022-09-04T14:36:08.286102Z",
"updated_at": "2022-09-04T14:36:08.286123Z",
"structure_string": "Mg12 Co12\n1.0\n6.887809 0.000000 3.976678\n2.295936 6.493889 3.976678\n0.000000 0.000000 7.953358\nMg Co\n12 12\ndirect\n0.078819 0.671181 0.671181 Mg\n0.671181 0.078819 0.671181 Mg\n0.671181 0.671181 0.078819 Mg\n0.078819 0.078819 0.671181 Mg\n0.078819 0.671181 0.078819 Mg\n0.328820 0.921181 0.328819 Mg\n0.921181 0.328819 0.921181 Mg\n0.921181 0.328819 0.328819 Mg\n0.328819 0.328819 0.921181 Mg\n0.921181 0.921181 0.328819 Mg\n0.671181 0.078819 0.078819 Mg\n0.328820 0.921181 0.921181 Mg\n0.500000 0.500000 0.500000 Co\n0.299392 0.601827 0.299392 Co\n0.601827 0.299392 0.299392 Co\n0.700609 0.398174 0.700609 Co\n0.398174 0.700609 0.700609 Co\n0.700609 0.700609 0.398174 Co\n0.299392 0.299392 0.299392 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.299392 0.299392 0.601827 Co\n0.700609 0.700609 0.700609 Co\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Co"
],
"chemical_system": "Co-Mg",
"density": 4.662474928769192,
"density_atomic": 0.06746441419284076,
"volume": 355.74310230276706,
"volume_molar": 8.92639598527643,
"formula_full": "Mg12 Co12",
"formula_reduced": "MgCo",
"formula_anonymous": "AB",
"energy_above_hull": 1.0036796714285716,
"spacegroup": 227
},
{
"id": "jvasp-97611",
"created_at": "2022-09-04T14:35:53.452296Z",
"updated_at": "2022-09-04T14:35:53.452321Z",
"structure_string": "Fe12 S12\n1.0\n5.855884 0.000000 0.000000\n-2.927942 5.071344 -0.000000\n-0.000000 0.000000 10.514585\nFe S\n12 12\ndirect\n0.406998 0.069141 0.114535 Fe\n0.930858 0.337857 0.385465 Fe\n0.930858 0.337857 0.114535 Fe\n0.662142 0.593001 0.114535 Fe\n0.337857 0.930858 0.885465 Fe\n0.593001 0.662142 0.885465 Fe\n0.069141 0.406998 0.885465 Fe\n0.406998 0.069141 0.385465 Fe\n0.069141 0.406998 0.614535 Fe\n0.337857 0.930858 0.614535 Fe\n0.593001 0.662142 0.614535 Fe\n0.662142 0.593001 0.385465 Fe\n0.027356 0.675997 0.750000 S\n0.333333 0.666666 0.036757 S\n0.333333 0.666666 0.463244 S\n0.666666 0.333333 0.963244 S\n0.666666 0.333333 0.536757 S\n0.675997 0.027356 0.250000 S\n0.351359 0.324002 0.250000 S\n0.972643 0.648640 0.250000 S\n0.648640 0.972643 0.750000 S\n0.324002 0.351359 0.750000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.609975331681966,
"density_atomic": 0.07686056448456724,
"volume": 312.25375666892137,
"volume_molar": 7.835150314579304,
"formula_full": "Fe12 S12",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.5858677499999996,
"spacegroup": 190
},
{
"id": "jvasp-48669",
"created_at": "2022-09-04T14:35:54.284423Z",
"updated_at": "2022-09-04T14:35:54.284449Z",
"structure_string": "V6 O3 F15\n1.0\n-4.552214 0.013749 0.006115\n0.057938 8.340649 -0.012573\n0.010556 -4.145285 -7.238085\nV O F\n6 3 15\ndirect\n0.984370 0.660017 0.654043 V\n0.984695 0.326596 0.986334 V\n0.514466 0.013540 0.673279 V\n0.514764 0.345829 0.339852 V\n0.016673 0.987861 0.324939 V\n0.482474 0.674940 0.012006 V\n0.749589 0.207684 0.792176 O\n0.749574 0.540070 0.459798 O\n0.249564 0.794297 0.205559 O\n0.749873 0.552448 0.100993 F\n0.748140 0.207339 0.426035 F\n0.249571 0.449186 0.550676 F\n0.250734 0.759780 0.874329 F\n0.750985 0.573827 0.792525 F\n0.249939 0.428549 0.212549 F\n0.249195 0.787328 0.571345 F\n0.749267 0.898863 0.447425 F\n0.248060 0.101490 0.552441 F\n0.251082 0.447433 0.898382 F\n0.248388 0.125542 0.240097 F\n0.749630 0.881494 0.765816 F\n0.249597 0.114911 0.884974 F\n0.749518 0.234074 0.118382 F\n0.749567 0.886517 0.113367 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.8553776380734472,
"density_atomic": 0.08725379879358786,
"volume": 275.05965736547074,
"volume_molar": 6.901866558550981,
"formula_full": "V6 O3 F15",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.1465354140625,
"spacegroup": 5
},
{
"id": "jvasp-43428",
"created_at": "2022-09-04T14:35:54.115940Z",
"updated_at": "2022-09-04T14:35:54.115967Z",
"structure_string": "Ti6 Nb2 O16\n1.0\n5.964895 -0.000014 -0.000003\n-2.982459 5.165771 0.000006\n0.000002 -0.000002 9.356148\nTi Nb O\n6 2 16\ndirect\n0.663125 0.831571 0.213919 Ti\n0.336876 0.168447 0.713919 Ti\n0.831553 0.168450 0.713893 Ti\n0.168435 0.831571 0.213925 Ti\n0.168449 0.336897 0.213892 Ti\n0.831566 0.663136 0.713926 Ti\n0.333330 0.666666 0.490905 Nb\n0.666671 0.333337 0.990905 Nb\n0.831160 0.662316 0.100670 O\n0.666660 0.333345 0.605364 O\n0.521016 0.042032 0.835820 O\n0.521017 0.479004 0.835836 O\n0.662321 0.831158 0.600659 O\n0.337680 0.168838 0.100658 O\n0.478984 0.521017 0.335820 O\n0.000000 0.000026 0.310389 O\n0.168839 0.337681 0.600657 O\n-0.000000 0.000026 0.810389 O\n0.957968 0.478992 0.835829 O\n0.333341 0.666685 0.105364 O\n0.042033 0.521024 0.335828 O\n0.168840 0.831156 0.600670 O\n0.478984 0.957986 0.335836 O\n0.831162 0.168843 0.100657 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"O"
],
"chemical_system": "Nb-O-Ti",
"density": 4.198993981544291,
"density_atomic": 0.08324857228497372,
"volume": 288.29323243939854,
"volume_molar": 7.233926774606068,
"formula_full": "Ti6 Nb2 O16",
"formula_reduced": "Ti3NbO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4369185333333334,
"spacegroup": 186
},
{
"id": "jvasp-42668",
"created_at": "2022-09-04T14:36:08.316266Z",
"updated_at": "2022-09-04T14:36:08.316277Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.994232 0.007449\n7.818407 0.000000 0.000000\n0.000000 -4.648660 -16.183599\nSr Ca I\n4 4 16\ndirect\n0.278451 0.054950 0.842525 Sr\n0.278451 0.445050 0.342525 Sr\n0.721549 0.554951 0.657475 Sr\n0.721549 0.945050 0.157475 Sr\n0.198541 0.337393 0.595863 Ca\n0.198541 0.162607 0.095863 Ca\n0.801459 0.837393 0.904137 Ca\n0.801459 0.662607 0.404137 Ca\n0.948181 0.295559 0.419062 I\n0.948181 0.204441 0.919062 I\n0.537062 0.604638 0.233274 I\n0.509861 0.747538 0.480670 I\n0.537062 0.895362 0.733274 I\n0.490139 0.247538 0.019330 I\n0.509861 0.752462 0.980670 I\n0.051819 0.795559 0.080938 I\n0.490139 0.252462 0.519330 I\n0.462938 0.395362 0.766726 I\n0.047723 0.676173 0.819737 I\n0.051819 0.704441 0.580938 I\n0.952276 0.323827 0.180263 I\n0.952277 0.176173 0.680263 I\n0.462938 0.104638 0.266726 I\n0.047723 0.823827 0.319737 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.172966753961219,
"density_atomic": 0.023733258348120505,
"volume": 1011.2391500554587,
"volume_molar": 25.374268765236394,
"formula_full": "Sr4 Ca4 I16",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0182083333333332,
"spacegroup": 14
},
{
"id": "jvasp-97847",
"created_at": "2022-09-04T14:36:07.055234Z",
"updated_at": "2022-09-04T14:36:07.055258Z",
"structure_string": "Ce6 Cu2 Sn2 S14\n1.0\n9.990619 -0.000000 -0.000000\n-4.995309 8.652130 0.000000\n-0.000000 0.000000 6.320873\nCe Cu Sn S\n6 2 2 14\ndirect\n0.211465 0.363190 0.772357 Ce\n0.848275 0.211465 0.272357 Ce\n0.363190 0.151725 0.272357 Ce\n0.636810 0.848275 0.772357 Ce\n0.151725 0.788536 0.772357 Ce\n0.788536 0.636810 0.272357 Ce\n0.000000 0.000000 0.680575 Cu\n0.000000 0.000000 0.180575 Cu\n0.333333 0.666667 0.338969 Sn\n0.666667 0.333333 0.838969 Sn\n0.079095 0.519659 0.513328 S\n0.920905 0.480341 0.013328 S\n0.519659 0.440563 0.013328 S\n0.440563 0.920905 0.513328 S\n0.111048 0.853181 0.210280 S\n0.257867 0.111048 0.710280 S\n0.666667 0.333333 0.450459 S\n0.146819 0.257867 0.210280 S\n0.742133 0.888952 0.210280 S\n0.888952 0.146819 0.710280 S\n0.480341 0.559437 0.513328 S\n0.333333 0.666667 0.950458 S\n0.853181 0.742133 0.710280 S\n0.559437 0.079095 0.013328 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Sn",
"S"
],
"chemical_system": "Ce-Cu-S-Sn",
"density": 5.02716439291684,
"density_atomic": 0.043925705336524686,
"volume": 546.3771114460341,
"volume_molar": 13.709832804875935,
"formula_full": "Ce6 Cu2 Sn2 S14",
"formula_reduced": "Ce3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.8827898875,
"spacegroup": 173
},
{
"id": "jvasp-42631",
"created_at": "2022-09-04T14:36:03.990876Z",
"updated_at": "2022-09-04T14:36:03.990898Z",
"structure_string": "Li4 Fe2 P4 O14\n1.0\n0.000000 -0.000000 7.095755\n6.528023 -3.150699 3.547877\n6.528023 3.150699 -3.547877\nLi Fe P O\n4 2 4 14\ndirect\n0.000000 0.225495 0.225495 Li\n0.500000 0.274505 0.274505 Li\n-0.000000 0.774505 0.774505 Li\n0.500000 0.725495 0.725495 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.564023 0.639740 0.139740 P\n0.435978 0.139740 0.639740 P\n0.564023 0.860260 0.360260 P\n0.435978 0.360260 0.860260 P\n0.711662 0.942939 0.442939 O\n0.288339 0.442939 0.942939 O\n0.637858 0.661200 0.562216 O\n0.362142 0.562216 0.661200 O\n0.329912 0.250000 0.750000 O\n0.670089 0.750000 0.250000 O\n0.763158 0.161200 0.062216 O\n0.637858 0.437784 0.338799 O\n0.711662 0.557061 0.057061 O\n0.288339 0.057061 0.557061 O\n0.236842 0.838799 0.937783 O\n0.236842 0.062216 0.161201 O\n0.362142 0.338799 0.437784 O\n0.763158 0.937783 0.838799 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7724551885301603,
"density_atomic": 0.08222313720184055,
"volume": 291.88864371697514,
"volume_molar": 7.324143744621308,
"formula_full": "Li4 Fe2 P4 O14",
"formula_reduced": "Li2FeP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6308875833333336,
"spacegroup": 74
},
{
"id": "jvasp-98297",
"created_at": "2022-09-04T14:35:54.153982Z",
"updated_at": "2022-09-04T14:35:54.153999Z",
"structure_string": "K2 Sb2 Mo4 O16\n1.0\n4.965559 -0.015919 -0.917454\n-2.353525 7.039255 -0.065230\n-0.049504 -0.025946 10.279471\nK Sb Mo O\n2 2 4 16\ndirect\n0.598634 0.965807 0.686389 K\n0.401368 0.034193 0.313611 K\n0.947388 0.534888 0.808908 Sb\n0.052614 0.465112 0.191093 Sb\n0.646984 0.761353 0.071687 Mo\n0.790348 0.637677 0.459015 Mo\n0.353018 0.238647 0.928314 Mo\n0.209654 0.362323 0.540985 Mo\n0.872304 0.628584 0.286853 O\n0.632556 0.288896 0.826276 O\n0.096965 0.030614 0.858100 O\n0.806426 0.577837 0.030354 O\n0.373528 0.469000 0.384517 O\n0.262654 0.145259 0.537293 O\n0.737348 0.854741 0.462708 O\n0.498728 0.808942 0.914822 O\n0.193576 0.422163 0.969647 O\n0.501274 0.191058 0.085178 O\n0.136842 0.673976 0.556850 O\n0.863160 0.326024 0.443151 O\n0.903037 0.969386 0.141901 O\n0.127699 0.371416 0.713147 O\n0.367446 0.711104 0.173724 O\n0.626474 0.531000 0.615483 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Sb",
"Mo",
"O"
],
"chemical_system": "K-Mo-O-Sb",
"density": 4.4529594169395965,
"density_atomic": 0.06693858052325026,
"volume": 358.5376297554429,
"volume_molar": 8.996516975600173,
"formula_full": "K2 Sb2 Mo4 O16",
"formula_reduced": "KSb(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0739603250000003,
"spacegroup": 2
}
]
}