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=1156",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1154",
"results": [
{
"id": "jvasp-50202",
"created_at": "2022-09-04T14:36:45.006082Z",
"updated_at": "2022-09-04T14:36:45.006099Z",
"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 6.5883553196014555,
"density_atomic": 0.08760015668328895,
"volume": 228.31009392264363,
"volume_molar": 6.874577612654902,
"formula_full": "Zr8 N8 O4",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0890578,
"spacegroup": 62
},
{
"id": "jvasp-59654",
"created_at": "2022-09-04T14:37:29.176018Z",
"updated_at": "2022-09-04T14:37:29.176045Z",
"structure_string": "B8 Mo8 Ir4\n1.0\n3.267868 0.000000 0.000000\n0.000000 7.404902 0.000000\n0.000000 0.000000 9.434566\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.123997 0.263485 B\n0.000000 0.614954 0.041044 B\n0.000000 0.385046 0.958957 B\n0.000000 0.376003 0.763485 B\n0.500000 0.114954 0.458957 B\n0.000000 0.623997 0.236515 B\n0.500000 0.876003 0.736515 B\n0.500000 0.885046 0.541044 B\n0.000000 0.926922 0.361729 Mo\n0.500000 0.573078 0.861729 Mo\n0.000000 0.310114 0.369571 Mo\n0.500000 0.189886 0.869571 Mo\n0.000000 0.073078 0.638271 Mo\n0.000000 0.689886 0.630430 Mo\n0.500000 0.426922 0.138271 Mo\n0.500000 0.810114 0.130429 Mo\n0.000000 0.879280 0.888840 Ir\n0.500000 0.620720 0.388839 Ir\n0.000000 0.120720 0.111161 Ir\n0.500000 0.379280 0.611161 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 11.803986044129669,
"density_atomic": 0.08760406280133538,
"volume": 228.29991395895777,
"volume_molar": 6.874271086783664,
"formula_full": "B8 Mo8 Ir4",
"formula_reduced": "B2Mo2Ir",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.3692496133333325,
"spacegroup": 58
},
{
"id": "jvasp-86542",
"created_at": "2022-09-04T14:36:11.533041Z",
"updated_at": "2022-09-04T14:36:11.533058Z",
"structure_string": "Bi4 Pd2 O8\n1.0\n5.011678 -0.000019 2.428398\n2.505837 6.402596 1.214152\n-0.286086 -0.000051 6.976015\nBi Pd O\n4 2 8\ndirect\n0.653572 0.500000 0.160106 Bi\n0.813676 0.839893 0.500001 Bi\n0.153571 0.160107 0.500000 Bi\n0.313676 0.500002 0.839892 Bi\n0.671671 -0.000001 -0.000002 Pd\n0.171671 -0.000002 -0.000001 Pd\n0.553025 0.907278 0.302163 O\n0.960304 0.092724 0.302163 O\n0.053024 0.302164 0.907277 O\n0.762465 0.092724 0.697836 O\n0.355188 0.907277 0.697838 O\n0.855188 0.697839 0.907276 O\n0.460304 0.302163 0.092724 O\n0.262465 0.697837 0.092724 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"O"
],
"chemical_system": "Bi-O-Pd",
"density": 8.55939644168835,
"density_atomic": 0.061324690279609975,
"volume": 228.29304047304583,
"volume_molar": 9.820091601836138,
"formula_full": "Bi4 Pd2 O8",
"formula_reduced": "Bi2PdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9853640428571424,
"spacegroup": 108
},
{
"id": "jvasp-85943",
"created_at": "2022-09-04T14:36:09.436683Z",
"updated_at": "2022-09-04T14:36:09.436707Z",
"structure_string": "Bi4 Pd2 O8\n1.0\n5.011659 -0.000029 2.428378\n2.505826 6.402537 1.214122\n-0.286082 -0.000073 6.975951\nBi Pd O\n4 2 8\ndirect\n0.653570 0.500003 0.160103 Bi\n0.813672 0.839897 0.499999 Bi\n0.153569 0.160103 0.500003 Bi\n0.313671 0.500000 0.839896 Bi\n0.671672 -0.000000 -0.000003 Pd\n0.171672 -0.000003 -0.000000 Pd\n0.553025 0.907282 0.302161 O\n0.960306 0.092721 0.302165 O\n0.053025 0.302163 0.907281 O\n0.762469 0.092721 0.697838 O\n0.355190 0.907279 0.697835 O\n0.855190 0.697837 0.907278 O\n0.460306 0.302165 0.092720 O\n0.262470 0.697838 0.092721 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"O"
],
"chemical_system": "Bi-O-Pd",
"density": 8.559581154754238,
"density_atomic": 0.0613260136756734,
"volume": 228.2881139811224,
"volume_molar": 9.819879687351738,
"formula_full": "Bi4 Pd2 O8",
"formula_reduced": "Bi2PdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9853640428571424,
"spacegroup": 108
},
{
"id": "jvasp-28591",
"created_at": "2022-09-04T14:37:43.507147Z",
"updated_at": "2022-09-04T14:37:43.507172Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.224755 0.000000 -0.000000\n-1.612379 2.790920 0.100388\n-0.000001 0.953638 25.398904\nMo W Se S\n3 1 2 6\ndirect\n0.291164 0.582327 0.001093 Mo\n0.458981 0.917963 0.500484 Mo\n0.540211 0.080417 0.255244 Mo\n0.709648 0.419293 0.746099 W\n0.647036 0.294068 0.933621 Se\n0.601957 0.203913 0.068565 Se\n0.186391 0.372783 0.316566 S\n0.355687 0.711376 0.807816 S\n0.812805 0.625607 0.439156 S\n0.771797 0.543591 0.561895 S\n0.227397 0.454796 0.193808 S\n0.396934 0.793866 0.684404 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.979059809223083,
"density_atomic": 0.05256650212933803,
"volume": 228.28226178098026,
"volume_molar": 11.456232612135263,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.9957453694444447,
"spacegroup": 160
},
{
"id": "jvasp-21305",
"created_at": "2022-09-04T14:36:51.424376Z",
"updated_at": "2022-09-04T14:36:51.424401Z",
"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n5.142240 0.204599 1.280082\n1.556682 6.628526 0.500252\n0.253752 -0.167144 6.820450\nZn Cu Si O\n2 2 4 12\ndirect\n0.749999 0.234907 0.765093 Zn\n0.250000 0.765094 0.234907 Zn\n0.249998 0.105354 0.894648 Cu\n0.749998 0.894650 0.105352 Cu\n0.242365 0.216248 0.386869 Si\n0.257633 0.613132 0.783752 Si\n0.742365 0.386870 0.216247 Si\n0.757634 0.783753 0.613131 Si\n0.633554 0.968047 0.789713 O\n0.866445 0.210285 0.031954 O\n0.626754 0.615392 0.138559 O\n0.873244 0.861443 0.384608 O\n0.373244 0.384608 0.861441 O\n0.013845 0.618058 0.676443 O\n0.986153 0.381944 0.323557 O\n0.513846 0.676444 0.618058 O\n0.366444 0.031954 0.210286 O\n0.486154 0.323559 0.381942 O\n0.126755 0.138559 0.615392 O\n0.133555 0.789716 0.968046 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Si-Zn",
"density": 4.089919703532854,
"density_atomic": 0.0876133391017007,
"volume": 228.27574208516577,
"volume_molar": 6.873543254651621,
"formula_full": "Zn2 Cu2 Si4 O12",
"formula_reduced": "ZnCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.028676905,
"spacegroup": 15
},
{
"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-66400",
"created_at": "2022-09-04T14:36:21.568607Z",
"updated_at": "2022-09-04T14:36:21.568636Z",
"structure_string": "Ba4 Re1 Sb1\n1.0\n0.000000 4.850690 4.850690\n4.850690 0.000000 4.850690\n4.850690 4.850690 -0.000000\nBa Re Sb\n4 1 1\ndirect\n0.125451 0.624849 0.624849 Ba\n0.624849 0.624849 0.624849 Ba\n0.624849 0.125451 0.624849 Ba\n0.624849 0.624849 0.125451 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Sb"
],
"chemical_system": "Ba-Re-Sb",
"density": 6.2363244184846245,
"density_atomic": 0.02628516414414379,
"volume": 228.26564700516704,
"volume_molar": 22.910797615626475,
"formula_full": "Ba4 Re1 Sb1",
"formula_reduced": "Ba4ReSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.556212996666667,
"spacegroup": 216
},
{
"id": "jvasp-48137",
"created_at": "2022-09-04T14:36:46.297369Z",
"updated_at": "2022-09-04T14:36:46.297397Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.230421 0.000000 0.000000\n0.000000 5.220419 0.000000\n0.000000 0.000000 8.359539\nLi Mn F\n4 4 12\ndirect\n0.483413 0.863413 0.002073 Li\n0.983413 0.363413 0.497927 Li\n0.483413 0.636587 0.502073 Li\n0.983413 0.136587 0.997927 Li\n0.450321 0.353505 0.175492 Mn\n0.950321 0.853505 0.324508 Mn\n0.450321 0.146495 0.675493 Mn\n0.950321 0.646495 0.824508 Mn\n0.728211 0.994148 0.837667 F\n0.228211 0.494148 0.662334 F\n0.724394 0.454841 0.651092 F\n0.646933 0.953457 0.493350 F\n0.146933 0.046543 0.506650 F\n0.724394 0.045159 0.151092 F\n0.728211 0.505852 0.337667 F\n0.228211 0.005852 0.162334 F\n0.224394 0.954841 0.848908 F\n0.646933 0.546543 -0.006650 F\n0.224394 0.545159 0.348908 F\n0.146933 0.453457 0.006650 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.459175200190724,
"density_atomic": 0.08762048622868374,
"volume": 228.2571218310899,
"volume_molar": 6.8729825856964615,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4278496177758619,
"spacegroup": 33
},
{
"id": "jvasp-30768",
"created_at": "2022-09-04T14:37:12.877075Z",
"updated_at": "2022-09-04T14:37:12.877099Z",
"structure_string": "Mo4 O10\n1.0\n11.905961 0.000000 0.000000\n0.000000 5.021031 -1.909114\n0.000000 -0.000000 3.818229\nMo O\n4 10\ndirect\n0.149430 0.882177 0.941089 Mo\n0.350570 0.117823 0.558913 Mo\n0.649429 0.117823 0.558913 Mo\n0.850570 0.882177 0.941089 Mo\n0.000000 -0.000737 -0.000367 O\n0.134267 0.549728 0.774865 O\n0.186012 0.978029 0.489015 O\n0.313988 0.021969 0.010985 O\n0.365733 0.450272 0.725137 O\n0.500000 0.000737 0.500367 O\n0.634267 0.450272 0.725137 O\n0.865733 0.549728 0.774865 O\n0.686012 0.021969 0.010985 O\n0.813988 0.978029 0.489015 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 3.9557809258901178,
"density_atomic": 0.06133504743603217,
"volume": 228.2544904624219,
"volume_molar": 9.818433361905585,
"formula_full": "Mo4 O10",
"formula_reduced": "Mo2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.635967042857143,
"spacegroup": 63
},
{
"id": "jvasp-28796",
"created_at": "2022-09-04T14:37:52.190390Z",
"updated_at": "2022-09-04T14:37:52.190412Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.224800 -0.000051 -0.001234\n-1.612444 2.792606 0.001280\n-0.009541 0.018739 25.342879\nMo W Se S\n3 1 2 6\ndirect\n0.344529 0.677263 0.005073 Mo\n0.657100 0.319611 0.250209 Mo\n0.673953 0.342458 0.751386 Mo\n0.324394 0.660717 0.496266 W\n0.340777 0.675016 0.818882 Se\n0.340459 0.676402 0.683900 Se\n0.323648 0.652272 0.311621 S\n0.677977 0.344641 0.943625 S\n0.657648 0.327872 0.434530 S\n0.677821 0.343224 0.066491 S\n0.657875 0.326926 0.557979 S\n0.323832 0.653607 0.188786 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.980545063805896,
"density_atomic": 0.05257956014191546,
"volume": 228.22556840740515,
"volume_molar": 11.453387483170024,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.999354536111112,
"spacegroup": 8
},
{
"id": "jvasp-9322",
"created_at": "2022-09-04T14:36:39.923744Z",
"updated_at": "2022-09-04T14:36:39.923767Z",
"structure_string": "Ca1 Co4 S8\n1.0\n6.793561 0.076750 0.054270\n3.463246 5.998519 0.000000\n3.463246 1.999507 5.655458\nCa Co S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.258064 0.271101 0.271101 S\n0.258064 0.271101 0.699736 S\n0.258064 0.699736 0.271101 S\n0.707577 0.264141 0.264141 S\n0.292424 0.735860 0.735860 S\n0.741936 0.728900 0.300265 S\n0.741936 0.300265 0.728900 S\n0.741936 0.728900 0.728900 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Co",
"S"
],
"chemical_system": "Ca-Co-S",
"density": 3.873391325418628,
"density_atomic": 0.056964468830420494,
"volume": 228.21243253755515,
"volume_molar": 10.571749168639702,
"formula_full": "Ca1 Co4 S8",
"formula_reduced": "Ca(CoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.584924155384616,
"spacegroup": 166
}
]
}