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=-volume&page=70",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=68",
"results": [
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-120473",
"created_at": "2022-09-04T14:38:39.124830Z",
"updated_at": "2022-09-04T14:38:39.124851Z",
"structure_string": "Nd16 Mg4 Pt4\n1.0\n8.697640 -0.000000 5.021585\n2.899213 8.200213 5.021585\n-0.000000 -0.000000 10.043169\nNd Mg Pt\n16 4 4\ndirect\n0.348884 0.348884 0.348884 Nd\n0.934647 0.934647 0.565353 Nd\n0.565353 0.565353 0.934647 Nd\n0.934647 0.565353 0.934646 Nd\n0.565353 0.934647 0.565353 Nd\n0.934647 0.565353 0.565353 Nd\n0.809302 0.809302 0.190698 Nd\n0.190698 0.190698 0.809302 Nd\n0.565353 0.934647 0.934647 Nd\n0.190698 0.809302 0.190698 Nd\n0.190698 0.809302 0.809302 Nd\n0.809302 0.190698 0.190698 Nd\n0.953350 0.348884 0.348883 Nd\n0.348883 0.953349 0.348883 Nd\n0.348884 0.348884 0.953350 Nd\n0.809302 0.190698 0.809301 Nd\n0.579419 0.579419 0.579419 Mg\n0.579419 0.579419 0.261744 Mg\n0.579419 0.261744 0.579419 Mg\n0.261744 0.579419 0.579419 Mg\n0.142908 0.571275 0.142908 Pt\n0.142909 0.142908 0.142908 Pt\n0.142909 0.142908 0.571275 Pt\n0.571275 0.142908 0.142908 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 7.384473878265549,
"density_atomic": 0.0335053307615752,
"volume": 716.3039270014858,
"volume_molar": 17.973679480598804,
"formula_full": "Nd16 Mg4 Pt4",
"formula_reduced": "Nd4MgPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4569110750000005,
"spacegroup": 216
},
{
"id": "jvasp-60641",
"created_at": "2022-09-04T14:36:31.619977Z",
"updated_at": "2022-09-04T14:36:31.619995Z",
"structure_string": "Nb6 I16\n1.0\n7.410967 0.004551 12.741548\n3.439499 6.564472 12.741548\n0.007517 0.004551 14.740061\nNb I\n6 16\ndirect\n0.546187 0.154652 0.546187 Nb\n0.546187 0.546187 0.154652 Nb\n0.154653 0.546187 0.546187 Nb\n0.845348 0.453813 0.453813 Nb\n0.453814 0.845347 0.453813 Nb\n0.453814 0.453813 0.845347 Nb\n0.784106 0.784105 0.784105 I\n0.215895 0.215894 0.215894 I\n0.117483 0.117482 0.627846 I\n0.117482 0.627846 0.117482 I\n0.627846 0.117482 0.117482 I\n0.372155 0.882517 0.882518 I\n0.882519 0.882517 0.372154 I\n0.706302 0.204959 0.706301 I\n0.706302 0.706301 0.204959 I\n0.364355 0.364355 0.364355 I\n0.204960 0.706301 0.706302 I\n0.795042 0.293698 0.293698 I\n0.293699 0.293698 0.795041 I\n0.293699 0.795041 0.293698 I\n0.882519 0.372154 0.882517 I\n0.635646 0.635645 0.635645 I\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Nb",
"I"
],
"chemical_system": "I-Nb",
"density": 6.001841227302307,
"density_atomic": 0.030726206896951234,
"volume": 716.0011671399284,
"volume_molar": 19.599362785640615,
"formula_full": "Nb6 I16",
"formula_reduced": "Nb3I8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.481065309090909,
"spacegroup": 166
},
{
"id": "jvasp-34927",
"created_at": "2022-09-04T14:37:28.457669Z",
"updated_at": "2022-09-04T14:37:28.457691Z",
"structure_string": "Ba10 Bi6\n1.0\n5.130184 -8.885740 -0.000000\n5.130184 8.885740 0.000000\n0.000000 -0.000000 7.850397\nBa Bi\n10 6\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Ba\n-0.000000 0.254870 0.750000 Ba\n0.254870 0.254870 0.250000 Ba\n0.745130 -0.000000 0.250000 Ba\n0.254870 -0.000000 0.750000 Ba\n0.745129 0.745129 0.750000 Ba\n-0.000000 0.745130 0.250000 Ba\n-0.000000 0.609658 0.750000 Bi\n0.609657 0.609657 0.250000 Bi\n0.390342 -0.000000 0.250000 Bi\n0.609658 -0.000000 0.750000 Bi\n0.390342 0.390342 0.750000 Bi\n-0.000000 0.390342 0.250000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.095175365997336,
"density_atomic": 0.022354853276790664,
"volume": 715.7282493377659,
"volume_molar": 26.93885164637752,
"formula_full": "Ba10 Bi6",
"formula_reduced": "Ba5Bi3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.24585589375,
"spacegroup": 193
},
{
"id": "jvasp-5230",
"created_at": "2022-09-04T14:36:41.459591Z",
"updated_at": "2022-09-04T14:36:41.459609Z",
"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 4.0680735519200715,
"density_atomic": 0.027945537750626248,
"volume": 715.677765032516,
"volume_molar": 21.549561199140086,
"formula_full": "Sn4 Br16",
"formula_reduced": "SnBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0117636419999998,
"spacegroup": 14
},
{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ge",
"Br"
],
"chemical_system": "Br-Ge",
"density": 4.314833340087135,
"density_atomic": 0.03353593114020174,
"volume": 715.6503244136738,
"volume_molar": 17.957279118995032,
"formula_full": "Ge8 Br16",
"formula_reduced": "GeBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-29452",
"created_at": "2022-09-04T14:37:02.879129Z",
"updated_at": "2022-09-04T14:37:02.879153Z",
"structure_string": "Cu4 S16 Br4 N16\n1.0\n6.921146 -0.019023 0.000000\n-2.490589 8.800026 0.000000\n0.000000 0.000000 11.751153\nCu S Br N\n4 16 4 16\ndirect\n0.136738 0.421791 0.168116 Cu\n0.863263 0.578209 0.831884 Cu\n0.363262 0.578209 0.668116 Cu\n0.636738 0.421792 0.331884 Cu\n0.974790 0.698051 0.082212 S\n0.889094 0.767120 0.386516 S\n0.304306 0.004570 0.620825 S\n0.260650 0.144311 0.416448 S\n0.195694 0.995431 0.120825 S\n0.025211 0.301950 0.917788 S\n0.474789 0.698051 0.417788 S\n0.804306 0.004570 0.879174 S\n0.610907 0.232881 0.886516 S\n0.695695 0.995431 0.379175 S\n0.110907 0.232881 0.613483 S\n0.525211 0.301950 0.582212 S\n0.739351 0.855690 0.583551 S\n0.389093 0.767120 0.113483 S\n0.760651 0.144311 0.083551 S\n0.239350 0.855690 0.916448 S\n0.975688 0.389541 0.352966 Br\n0.475688 0.389541 0.147034 Br\n0.024313 0.610460 0.647034 Br\n0.524313 0.610460 0.852966 Br\n0.367421 0.922432 0.171553 N\n0.132580 0.077568 0.671553 N\n0.230537 0.008163 0.983734 N\n0.025491 0.727914 0.945181 N\n0.166265 0.642867 0.130624 N\n0.974510 0.272087 0.054819 N\n0.666266 0.642867 0.369376 N\n0.269464 0.991838 0.483734 N\n0.867421 0.922433 0.328446 N\n0.333735 0.357133 0.630624 N\n0.730537 0.008163 0.516266 N\n0.525491 0.727914 0.554819 N\n0.769464 0.991838 0.016266 N\n0.474509 0.272087 0.445181 N\n0.833735 0.357134 0.869376 N\n0.632580 0.077568 0.828446 N\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Cu",
"S",
"Br",
"N"
],
"chemical_system": "Br-Cu-N-S",
"density": 3.043896046030329,
"density_atomic": 0.05593137680705007,
"volume": 715.1620840300512,
"volume_molar": 10.767016840609791,
"formula_full": "Cu4 S16 Br4 N16",
"formula_reduced": "CuS4BrN4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.3513537555,
"spacegroup": 14
},
{
"id": "jvasp-59144",
"created_at": "2022-09-04T14:38:32.436114Z",
"updated_at": "2022-09-04T14:38:32.436133Z",
"structure_string": "Sr8 Bi12\n1.0\n6.653830 -0.000000 0.000000\n-0.000000 6.867713 0.000000\n0.000000 0.000000 15.648182\nSr Bi\n8 12\ndirect\n0.940099 0.000000 0.250000 Sr\n0.559901 0.500000 0.250000 Sr\n0.059901 0.000000 0.750000 Sr\n0.440099 0.500000 0.750000 Sr\n0.750000 0.750000 0.000133 Sr\n0.750000 0.250000 0.499867 Sr\n0.250000 0.250000 0.999867 Sr\n0.250000 0.750000 0.500133 Sr\n0.578900 0.936149 0.653512 Bi\n0.578900 0.063851 0.846487 Bi\n0.078900 0.563850 0.153513 Bi\n0.078900 0.436149 0.346487 Bi\n0.421100 0.063851 0.346487 Bi\n0.750000 0.250000 0.069546 Bi\n0.250000 0.750000 0.930454 Bi\n0.250000 0.250000 0.569546 Bi\n0.921100 0.563850 0.653512 Bi\n0.750000 0.750000 0.430454 Bi\n0.421100 0.936149 0.153513 Bi\n0.921100 0.436149 0.846487 Bi\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 7.4513307470498935,
"density_atomic": 0.027969343225419364,
"volume": 715.0686320665338,
"volume_molar": 21.531219776826582,
"formula_full": "Sr8 Bi12",
"formula_reduced": "Sr2Bi3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3909217199999999,
"spacegroup": 52
},
{
"id": "jvasp-51654",
"created_at": "2022-09-04T14:38:17.157679Z",
"updated_at": "2022-09-04T14:38:17.157706Z",
"structure_string": "Bi8 Pb4 S16\n1.0\n4.112157 0.000000 0.000000\n0.000000 11.841581 0.000000\n0.000000 0.000000 14.671629\nBi Pb S\n8 4 16\ndirect\n0.250000 0.397917 0.402018 Bi\n0.750001 0.602083 0.597982 Bi\n0.750001 0.066989 0.391531 Bi\n0.250000 0.897917 0.097982 Bi\n0.750001 0.102083 0.902018 Bi\n0.250000 0.433011 0.891532 Bi\n0.250000 0.933011 0.608469 Bi\n0.750001 0.566989 0.108469 Bi\n0.750001 0.747433 0.847531 Pb\n0.250000 0.752567 0.347531 Pb\n0.250000 0.252567 0.152469 Pb\n0.750001 0.247433 0.652469 Pb\n0.750001 0.262992 0.299933 S\n0.750001 0.517015 0.786428 S\n0.250000 0.663642 0.987240 S\n0.750001 0.017015 0.713572 S\n0.250000 0.482985 0.213572 S\n0.250000 0.982985 0.286428 S\n0.250000 0.163642 0.512760 S\n0.250000 0.237008 0.799933 S\n0.750001 0.762992 0.200067 S\n0.750001 0.555155 0.408889 S\n0.750001 0.336358 0.012760 S\n0.250000 0.444845 0.591111 S\n0.250000 0.737008 0.700067 S\n0.750001 0.836358 0.487240 S\n0.250000 0.944845 0.908889 S\n0.750001 0.055155 0.091111 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Pb",
"S"
],
"chemical_system": "Bi-Pb-S",
"density": 7.00469097922594,
"density_atomic": 0.03919226088560992,
"volume": 714.4267609802695,
"volume_molar": 15.365637561907352,
"formula_full": "Bi8 Pb4 S16",
"formula_reduced": "Bi2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4978513457142857,
"spacegroup": 62
},
{
"id": "jvasp-59006",
"created_at": "2022-09-04T14:38:36.464956Z",
"updated_at": "2022-09-04T14:38:36.464977Z",
"structure_string": "Rb12 Cl8 O2\n1.0\n8.940063 0.026104 0.176091\n0.173169 8.938424 0.176091\n0.026538 0.026104 8.941758\nRb Cl O\n12 8 2\ndirect\n0.930318 0.058898 0.712201 Rb\n0.558899 0.430318 0.212201 Rb\n0.941101 0.287799 0.069682 Rb\n0.069682 0.941101 0.287799 Rb\n0.287800 0.069681 0.941101 Rb\n0.787799 0.441100 0.569682 Rb\n0.569682 0.787798 0.441101 Rb\n0.441101 0.569681 0.787799 Rb\n0.058899 0.712200 0.930318 Rb\n0.712200 0.930317 0.058899 Rb\n0.212201 0.558898 0.430318 Rb\n0.430318 0.212200 0.558899 Rb\n0.873389 0.626610 0.250000 Cl\n0.250000 0.873388 0.626611 Cl\n0.626611 0.249999 0.873389 Cl\n0.126611 0.373389 0.750000 Cl\n0.750000 0.126610 0.373389 Cl\n0.373389 0.749999 0.126611 Cl\n0.250000 0.250000 0.250000 Cl\n0.750000 0.749999 0.750000 Cl\n0.000000 0.000000 0.000000 O\n0.500000 0.499999 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb",
"density": 3.117484958241014,
"density_atomic": 0.030794461835986223,
"volume": 714.4141734696897,
"volume_molar": 19.55592142533422,
"formula_full": "Rb12 Cl8 O2",
"formula_reduced": "Rb6Cl4O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-58952",
"created_at": "2022-09-04T14:38:14.573145Z",
"updated_at": "2022-09-04T14:38:14.573169Z",
"structure_string": "Ta6 Te2 I14\n1.0\n3.827042 -6.628630 -0.000000\n3.827042 6.628630 0.000000\n0.000000 -0.000000 14.080255\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261012 0.130506 0.250105 Ta\n0.869493 0.738987 0.250105 Ta\n0.130506 0.261012 0.750105 Ta\n0.738987 0.869493 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338835 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644785 I\n0.996470 0.498234 0.859616 I\n0.003530 0.501765 0.359616 I\n0.498234 0.501765 0.359616 I\n0.338835 0.169418 0.618117 I\n0.501765 0.003530 0.859616 I\n0.498234 0.996470 0.359616 I\n0.501765 0.498234 0.859616 I\n0.169418 0.830582 0.118117 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 7.246611572285583,
"density_atomic": 0.03079606010219369,
"volume": 714.377096518034,
"volume_molar": 19.55490650432594,
"formula_full": "Ta6 Te2 I14",
"formula_reduced": "Ta3TeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.028157208333333,
"spacegroup": 186
},
{
"id": "jvasp-5632",
"created_at": "2022-09-04T14:37:40.063999Z",
"updated_at": "2022-09-04T14:37:40.064035Z",
"structure_string": "Ta6 Te2 I14\n1.0\n3.827041 -6.628628 0.000000\n3.827041 6.628628 0.000000\n0.000000 0.000000 14.080248\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261013 0.130506 0.250105 Ta\n0.869494 0.738987 0.250105 Ta\n0.130506 0.261013 0.750105 Ta\n0.738987 0.869494 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338836 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644786 I\n0.996470 0.498234 0.859617 I\n0.003530 0.501765 0.359617 I\n0.498234 0.501765 0.359617 I\n0.338836 0.169418 0.618117 I\n0.501765 0.003530 0.859617 I\n0.498234 0.996470 0.359617 I\n0.501765 0.498234 0.859617 I\n0.169418 0.830582 0.118117 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 7.246619254931114,
"density_atomic": 0.030796092751275428,
"volume": 714.376339157144,
"volume_molar": 19.554885772808273,
"formula_full": "Ta6 Te2 I14",
"formula_reduced": "Ta3TeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.028157208333333,
"spacegroup": 186
}
]
}