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=839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=837",
"results": [
{
"id": "jvasp-51016",
"created_at": "2022-09-04T14:37:20.088670Z",
"updated_at": "2022-09-04T14:37:20.088701Z",
"structure_string": "Ba2 H8 O6\n1.0\n0.000000 3.994171 -0.028831\n5.784386 0.000000 0.000000\n0.000000 -0.051976 -7.171507\nBa H O\n2 8 6\ndirect\n-0.000009 0.193666 0.683432 Ba\n0.000008 0.693666 0.316568 Ba\n0.799172 0.205347 0.125621 H\n0.200806 0.205341 0.125602 H\n0.200826 0.705347 0.874379 H\n0.799193 0.705342 0.874398 H\n0.499991 0.407586 -0.022642 H\n0.500009 0.907587 0.022642 H\n0.500080 0.596636 0.592326 H\n0.499919 0.096636 0.407674 H\n0.000007 0.194515 0.212842 O\n-0.000008 0.694515 0.787158 O\n0.499985 0.237754 0.967814 O\n0.500013 0.737755 0.032186 O\n0.500022 0.455789 0.516515 O\n0.499977 0.955790 0.483486 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.795275432689928,
"density_atomic": 0.09656125821423026,
"volume": 165.69792374186437,
"volume_molar": 6.236601377582832,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31923580875,
"spacegroup": 26
},
{
"id": "jvasp-51465",
"created_at": "2022-09-04T14:37:28.092570Z",
"updated_at": "2022-09-04T14:37:28.092602Z",
"structure_string": "In12 Ir4\n1.0\n5.458344 0.000000 0.000000\n-0.000000 7.516119 0.000000\n0.000000 0.000000 8.414564\nIn Ir\n12 4\ndirect\n0.637408 0.329077 0.553322 In\n0.086807 0.489070 0.750000 In\n0.862591 0.829077 0.946678 In\n0.913192 0.510930 0.250000 In\n0.137408 0.170923 0.053322 In\n0.413192 0.989070 0.750000 In\n0.362591 0.670923 0.446678 In\n0.586807 0.010930 0.250000 In\n0.862591 0.829077 0.553322 In\n0.637408 0.329077 0.946678 In\n0.137408 0.170923 0.446678 In\n0.362591 0.670923 0.053322 In\n0.438065 0.372838 0.250000 Ir\n0.561934 0.627162 0.750000 Ir\n0.938064 0.127162 0.750000 Ir\n0.061935 0.872838 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 10.325974511501723,
"density_atomic": 0.046348300552051615,
"volume": 345.21222589447797,
"volume_molar": 12.993228852559145,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7486552525,
"spacegroup": 62
},
{
"id": "jvasp-9427",
"created_at": "2022-09-04T14:37:08.317354Z",
"updated_at": "2022-09-04T14:37:08.317386Z",
"structure_string": "Mg4 Si4 N8\n1.0\n5.025917 0.000000 0.000000\n0.000000 5.311121 0.000000\n0.000000 0.000000 6.486314\nMg Si N\n4 4 8\ndirect\n0.988861 0.584446 0.877094 Mg\n0.488861 0.915554 0.377095 Mg\n0.488861 0.415554 0.122905 Mg\n0.988861 0.084446 0.622905 Mg\n-0.000019 0.070507 0.125429 Si\n0.499981 0.929492 0.874570 Si\n0.499981 0.429492 0.625429 Si\n-0.000019 0.570507 0.374570 Si\n0.409707 0.608854 0.845043 N\n0.909707 0.391146 0.154957 N\n0.909707 0.891146 0.345043 N\n0.409707 0.108854 0.654957 N\n0.347472 0.549409 0.404056 N\n0.347472 0.049409 0.095944 N\n0.847472 0.950591 0.904055 N\n0.847472 0.450591 0.595944 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 3.0845138644612518,
"density_atomic": 0.09241032673478014,
"volume": 173.1408227342425,
"volume_molar": 6.516740036298853,
"formula_full": "Mg4 Si4 N8",
"formula_reduced": "MgSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8091660374999994,
"spacegroup": 33
},
{
"id": "jvasp-33032",
"created_at": "2022-09-04T14:37:31.397176Z",
"updated_at": "2022-09-04T14:37:31.397201Z",
"structure_string": "B4 H12\n1.0\n4.232304 -0.055793 0.000000\n-1.505002 5.413740 0.000000\n0.000000 0.000000 6.233960\nB H\n4 12\ndirect\n0.501812 0.648617 0.456539 B\n0.998188 0.851384 0.956539 B\n0.498188 0.351384 0.543461 B\n0.001812 0.148616 0.043461 B\n0.282929 0.672962 0.345247 H\n0.217071 0.827038 0.845247 H\n0.717070 0.327038 0.654753 H\n0.782929 0.172963 0.154753 H\n0.723099 0.823305 0.508650 H\n0.776901 0.676696 0.008650 H\n0.276901 0.176696 0.491350 H\n0.223099 0.323305 -0.008650 H\n0.625667 0.479007 0.370743 H\n0.874332 0.020994 0.870743 H\n0.374333 0.520994 0.629257 H\n0.125668 0.979006 0.129257 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.645711972096186,
"density_atomic": 0.11242844902136004,
"volume": 142.3127343592563,
"volume_molar": 5.3564207390745615,
"formula_full": "B4 H12",
"formula_reduced": "BH3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.033585645833333,
"spacegroup": 14
},
{
"id": "jvasp-34309",
"created_at": "2022-09-04T14:37:07.867799Z",
"updated_at": "2022-09-04T14:37:07.867814Z",
"structure_string": "Na2 Ag2 N4 O8\n1.0\n6.163107 -0.042366 -2.273902\n-2.962155 5.404750 -2.273902\n0.077321 0.129532 6.768981\nNa Ag N O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.750000 0.249999 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.020604 0.979397 0.500000 N\n0.479398 0.520602 0.500000 N\n0.797044 0.202955 0.000000 N\n0.202956 0.797044 0.000001 N\n0.594073 0.124455 0.820590 O\n0.828585 0.916850 0.314443 O\n0.303866 0.773483 0.179410 O\n0.485859 0.397591 0.314443 O\n0.602409 0.514141 0.685558 O\n0.875545 0.405926 0.179410 O\n0.226517 0.696135 0.820591 O\n0.083149 0.171416 0.685557 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-Na-O",
"density": 3.242482886434438,
"density_atomic": 0.070092084775481,
"volume": 228.27113862073313,
"volume_molar": 8.591755801372045,
"formula_full": "Na2 Ag2 N4 O8",
"formula_reduced": "NaAg(NO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.692674595,
"spacegroup": 22
},
{
"id": "jvasp-9538",
"created_at": "2022-09-04T14:37:27.872742Z",
"updated_at": "2022-09-04T14:37:27.872762Z",
"structure_string": "Mg4 V4 O8\n1.0\n2.875567 -0.001199 -0.003725\n-1.434097 8.503648 -0.462683\n-1.428981 -1.445485 8.030159\nMg V O\n4 4 8\ndirect\n0.589198 0.960628 0.218074 Mg\n0.434836 0.059452 0.810126 Mg\n0.269348 0.328518 0.210052 Mg\n0.754709 0.691575 0.818162 Mg\n0.161522 0.793730 0.529277 V\n0.388114 0.645428 0.130958 V\n0.635941 0.374648 0.897243 V\n0.862527 0.226351 0.498922 V\n0.445729 0.226556 0.664984 O\n0.207005 0.543683 0.870506 O\n0.817044 0.476403 0.157693 O\n0.578318 0.793521 0.363211 O\n0.803178 0.888574 0.717711 O\n0.941435 0.810994 0.072172 O\n0.220863 0.131507 0.310491 O\n0.082621 0.209090 0.956032 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.6648816705624867,
"density_atomic": 0.08231757772694305,
"volume": 194.36917899933664,
"volume_molar": 7.315740970872757,
"formula_full": "Mg4 V4 O8",
"formula_reduced": "MgVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5404775625,
"spacegroup": 12
},
{
"id": "jvasp-34537",
"created_at": "2022-09-04T14:37:08.405342Z",
"updated_at": "2022-09-04T14:37:08.405361Z",
"structure_string": "Zn8 S8\n1.0\n1.919411 -3.324518 0.000000\n1.919411 3.324518 -0.000000\n-0.000000 -0.000000 25.156879\nZn S\n8 8\ndirect\n0.666667 0.333333 0.125092 Zn\n0.000000 0.000000 0.000372 Zn\n0.333333 0.666667 0.624835 Zn\n0.333333 0.666667 0.875338 Zn\n0.000000 0.000000 0.750101 Zn\n0.666667 0.333333 0.375141 Zn\n0.000000 0.000000 0.499857 Zn\n0.333333 0.666667 0.250075 Zn\n0.333333 0.666667 0.343791 S\n0.333333 0.666667 0.969024 S\n0.666667 0.333333 0.218606 S\n0.000000 0.000000 0.593371 S\n0.000000 0.000000 0.093859 S\n0.000000 0.000000 0.843774 S\n0.666667 0.333333 0.468624 S\n0.333333 0.666667 0.718540 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.033150684577652,
"density_atomic": 0.04983524044814097,
"volume": 321.05794727026057,
"volume_molar": 12.084100941113544,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00095,
"spacegroup": 156
},
{
"id": "jvasp-12465",
"created_at": "2022-09-04T14:37:28.411370Z",
"updated_at": "2022-09-04T14:37:28.411397Z",
"structure_string": "Bi4 Cl12\n1.0\n6.301279 0.000000 0.000000\n0.000000 7.497354 0.000000\n0.000000 0.000000 8.852501\nBi Cl\n4 12\ndirect\n0.514116 0.577716 0.249383 Bi\n0.485884 0.422284 0.749382 Bi\n-0.014116 0.077716 0.249383 Bi\n0.014116 0.922284 0.749382 Bi\n0.645444 0.323468 0.061626 Cl\n0.354556 0.676532 0.561626 Cl\n0.854556 0.823467 0.061626 Cl\n0.145444 0.176532 0.561626 Cl\n0.632529 0.042164 0.749770 Cl\n0.367471 0.957836 0.249770 Cl\n0.867471 0.542164 0.749770 Cl\n0.132529 0.457836 0.249770 Cl\n0.145401 0.176201 0.937821 Cl\n0.854599 0.823799 0.437821 Cl\n0.354599 0.676200 0.937821 Cl\n0.645401 0.323799 0.437821 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl",
"density": 5.0082340296268155,
"density_atomic": 0.03825756032497994,
"volume": 418.2179904857378,
"volume_molar": 15.741047544184088,
"formula_full": "Bi4 Cl12",
"formula_reduced": "BiCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.052866625625,
"spacegroup": 62
},
{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.247776383187741,
"density_atomic": 0.08055974025839395,
"volume": 198.6103722365574,
"volume_molar": 7.475372612528404,
"formula_full": "Ca4 Mn4 O8",
"formula_reduced": "CaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.582003665344827,
"spacegroup": 11
},
{
"id": "jvasp-30622",
"created_at": "2022-09-04T14:37:15.385888Z",
"updated_at": "2022-09-04T14:37:15.385897Z",
"structure_string": "V4 Zn2 S10\n1.0\n0.000000 6.303409 -0.002095\n3.654810 0.000000 0.000000\n0.000000 -0.009707 -13.969567\nV Zn S\n4 2 10\ndirect\n0.523843 0.500000 0.905507 V\n0.476235 0.000000 0.094510 V\n0.476168 0.000000 0.405586 V\n0.523748 0.500000 0.594425 V\n-0.138920 0.000000 0.750019 Zn\n0.138923 0.500000 0.249952 Zn\n0.581902 0.000000 0.250033 S\n0.418106 0.500000 0.749982 S\n0.323295 0.000000 0.936058 S\n0.676788 0.500000 0.063953 S\n0.323146 0.000000 0.563922 S\n0.676773 0.500000 0.436091 S\n0.870890 0.500000 0.636757 S\n0.129055 0.000000 0.363224 S\n0.129085 0.000000 0.136671 S\n0.870961 0.500000 0.863312 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.380821059948001,
"density_atomic": 0.04971605335355654,
"volume": 321.8276375684074,
"volume_molar": 12.113070836845084,
"formula_full": "V4 Zn2 S10",
"formula_reduced": "V2ZnS5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3352786,
"spacegroup": 59
},
{
"id": "jvasp-12460",
"created_at": "2022-09-04T14:37:27.994562Z",
"updated_at": "2022-09-04T14:37:27.994589Z",
"structure_string": "Cl4 O12\n1.0\n5.013635 0.007302 -0.524800\n-2.125987 4.540570 -0.524800\n-0.016575 -0.026105 9.866721\nCl O\n4 12\ndirect\n0.817630 0.682621 0.139048 Cl\n0.682620 0.817629 0.639048 Cl\n0.181546 0.313808 0.377429 Cl\n0.313808 0.181546 0.877429 Cl\n0.580391 0.452240 0.184733 O\n0.452239 0.580390 0.684733 O\n0.818825 0.972501 0.186325 O\n0.972501 0.818824 0.686325 O\n0.377135 0.970943 0.944919 O\n0.970944 0.377136 0.444919 O\n0.112148 0.281914 0.932055 O\n0.281914 0.112149 0.432056 O\n0.635696 0.766490 0.486827 O\n0.766490 0.635695 0.986827 O\n0.690507 0.099394 0.690261 O\n0.099395 0.690508 0.190261 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.467601052992917,
"density_atomic": 0.07122841078754025,
"volume": 224.6294676954779,
"volume_molar": 8.454689208162756,
"formula_full": "Cl4 O12",
"formula_reduced": "ClO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.885148641875,
"spacegroup": 9
},
{
"id": "jvasp-11157",
"created_at": "2022-09-04T14:37:15.133912Z",
"updated_at": "2022-09-04T14:37:15.133931Z",
"structure_string": "Cd2 Cu4 Ge2 S8\n1.0\n6.357971 0.000000 0.000000\n0.000000 6.601879 0.000000\n0.000000 0.000000 7.758645\nCd Cu Ge S\n2 4 2 8\ndirect\n0.506593 0.843009 0.500000 Cd\n0.006593 0.156991 0.000000 Cd\n0.004706 0.671897 0.749198 Cu\n0.504706 0.328103 0.249198 Cu\n0.504706 0.328103 0.750802 Cu\n0.004706 0.671897 0.250802 Cu\n0.009428 0.176475 0.500000 Ge\n0.509428 0.823525 0.000000 Ge\n0.103856 0.843038 0.500000 S\n0.603855 0.156962 0.000000 S\n0.651409 0.204062 0.500000 S\n0.151409 0.795938 0.000000 S\n0.642151 0.654826 0.768337 S\n0.642151 0.654826 0.231664 S\n0.142151 0.345174 0.268337 S\n0.142151 0.345174 0.731664 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Cu",
"Ge",
"S"
],
"chemical_system": "Cd-Cu-Ge-S",
"density": 4.491148113427191,
"density_atomic": 0.04913013966283359,
"volume": 325.66567304313656,
"volume_molar": 12.257528273536913,
"formula_full": "Cd2 Cu4 Ge2 S8",
"formula_reduced": "CdCu2GeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.762973325,
"spacegroup": 31
}
]
}