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=-formula_anonymous&page=617",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=615",
"results": [
{
"id": "jvasp-45365",
"created_at": "2022-09-04T14:37:06.594076Z",
"updated_at": "2022-09-04T14:37:06.594089Z",
"structure_string": "Cd4 Se4 O12\n1.0\n5.379094 -0.000000 0.000000\n0.000000 6.321494 0.000000\n0.000000 0.000000 8.180321\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.484163 0.975060 0.750000 Se\n0.984162 0.524939 0.250000 Se\n0.015837 0.475061 0.750000 Se\n0.515837 0.024939 0.250000 Se\n0.703431 0.406777 0.750000 O\n0.203432 0.093223 0.250000 O\n0.633520 0.173332 0.086769 O\n0.133520 0.326668 0.913230 O\n0.866479 0.673332 0.413230 O\n0.133520 0.326668 0.586769 O\n0.366480 0.826668 0.913230 O\n0.866479 0.673332 0.086769 O\n0.296568 0.593222 0.250000 O\n0.633520 0.173332 0.413230 O\n0.366480 0.826668 0.586769 O\n0.796568 0.906777 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Se",
"O"
],
"chemical_system": "Cd-O-Se",
"density": 5.715814784393871,
"density_atomic": 0.07190031382818729,
"volume": 278.16290270709976,
"volume_molar": 8.3756807715617,
"formula_full": "Cd4 Se4 O12",
"formula_reduced": "CdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2143467233333334,
"spacegroup": 62
},
{
"id": "jvasp-8673",
"created_at": "2022-09-04T14:37:11.167501Z",
"updated_at": "2022-09-04T14:37:11.167532Z",
"structure_string": "Li3 Br1 O1\n1.0\n3.952556 -0.000000 0.000000\n0.000000 3.952556 -0.000000\n-0.000000 0.000000 3.952556\nLi Br O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Br",
"O"
],
"chemical_system": "Br-Li-O",
"density": 3.138947801214822,
"density_atomic": 0.08097219439535827,
"volume": 61.74959240436029,
"volume_molar": 7.437294746633691,
"formula_full": "Li3 Br1 O1",
"formula_reduced": "Li3BrO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.566779521,
"spacegroup": 221
},
{
"id": "jvasp-5317",
"created_at": "2022-09-04T14:37:07.995520Z",
"updated_at": "2022-09-04T14:37:07.995558Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038860 -0.393096 -0.042230\n-0.084474 4.319007 1.741315\n-0.542975 0.467193 4.602179\nCu C O\n1 1 3\ndirect\n0.463333 0.434879 0.434880 Cu\n0.110538 0.021807 0.021807 C\n0.385619 0.155053 0.155054 O\n0.977757 0.171094 0.707166 O\n0.977757 0.707164 0.171096 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.5341928635191637,
"density_atomic": 0.08612935182843806,
"volume": 58.05221906185421,
"volume_molar": 6.991972692416824,
"formula_full": "Cu1 C1 O3",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.54746819,
"spacegroup": 8
},
{
"id": "jvasp-36597",
"created_at": "2022-09-04T14:37:13.302209Z",
"updated_at": "2022-09-04T14:37:13.302237Z",
"structure_string": "Hg1 Os1 O3\n1.0\n3.949940 0.000000 -0.000000\n-0.000000 3.949940 0.000000\n0.000000 0.000000 3.949940\nHg Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hg",
"Os",
"O"
],
"chemical_system": "Hg-O-Os",
"density": 11.82394042947815,
"density_atomic": 0.0811331818379221,
"volume": 61.62706659265977,
"volume_molar": 7.422537392937815,
"formula_full": "Hg1 Os1 O3",
"formula_reduced": "HgOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.33969002,
"spacegroup": 221
},
{
"id": "jvasp-12277",
"created_at": "2022-09-04T14:37:04.612964Z",
"updated_at": "2022-09-04T14:37:04.612989Z",
"structure_string": "U2 Mn2 Se6\n1.0\n3.907667 0.000000 0.000000\n-1.953834 5.541062 -0.000000\n0.000000 -0.000000 9.158653\nU Mn Se\n2 2 6\ndirect\n0.222101 0.444200 0.250000 U\n0.777901 0.555799 0.750000 U\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.078003 0.156005 0.750000 Se\n0.921999 0.843995 0.250000 Se\n0.364303 0.728606 0.960390 Se\n0.635698 0.271394 0.039610 Se\n0.635698 0.271394 0.460390 Se\n0.364303 0.728606 0.539610 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-U",
"density": 8.873345136561694,
"density_atomic": 0.05042638533508461,
"volume": 198.30888003472282,
"volume_molar": 11.942439895270546,
"formula_full": "U2 Mn2 Se6",
"formula_reduced": "UMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.918658668275862,
"spacegroup": 63
},
{
"id": "jvasp-50665",
"created_at": "2022-09-04T14:37:08.311465Z",
"updated_at": "2022-09-04T14:37:08.311490Z",
"structure_string": "Li2 Ag2 F6\n1.0\n-5.189596 0.239752 1.443693\n2.260790 4.424429 -2.014585\n0.943657 -1.029188 -5.363853\nLi Ag F\n2 2 6\ndirect\n0.324325 0.608425 0.069892 Li\n0.675668 0.391580 0.930102 Li\n0.132099 0.829174 0.467308 Ag\n0.867896 0.170825 0.532689 Ag\n0.039757 0.300850 0.218411 F\n0.563449 0.065161 0.733945 F\n0.283845 0.401652 0.796038 F\n0.716145 0.598337 0.203963 F\n0.436552 -0.065159 0.266048 F\n0.960264 0.699152 0.781607 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.493280216610525,
"density_atomic": 0.0787499168703029,
"volume": 126.98426103064325,
"volume_molar": 7.647170942311163,
"formula_full": "Li2 Ag2 F6",
"formula_reduced": "LiAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0134339999999998,
"spacegroup": 2
},
{
"id": "jvasp-50910",
"created_at": "2022-09-04T14:37:08.342175Z",
"updated_at": "2022-09-04T14:37:08.342208Z",
"structure_string": "Sc4 Ti4 O12\n1.0\n5.115429 0.000000 0.000000\n0.000000 5.505446 0.000000\n0.000000 0.000000 7.517686\nSc Ti O\n4 4 12\ndirect\n0.973456 0.925816 0.758038 Sc\n0.526544 0.425815 0.758038 Sc\n0.473456 0.574185 0.258038 Sc\n0.026544 0.074185 0.258038 Sc\n0.000005 0.499990 0.508046 Ti\n0.499995 -0.000011 0.508046 Ti\n0.500005 0.000011 0.008046 Ti\n-0.000005 0.500011 0.008046 Ti\n0.181047 0.809574 0.078635 O\n0.318971 0.309569 0.437481 O\n0.318953 0.309573 0.078635 O\n0.352253 0.066221 0.758051 O\n0.647747 0.933780 0.258051 O\n0.818953 0.190427 0.578635 O\n0.681047 0.690428 0.578635 O\n0.818971 0.190432 0.937482 O\n0.181029 0.809569 0.437481 O\n0.852254 0.433779 0.258051 O\n0.681029 0.690432 0.937482 O\n0.147747 0.566222 0.758051 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"O"
],
"chemical_system": "O-Sc-Ti",
"density": 4.417922648161232,
"density_atomic": 0.09446506878603946,
"volume": 211.71847178028736,
"volume_molar": 6.374992192764891,
"formula_full": "Sc4 Ti4 O12",
"formula_reduced": "ScTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.232000816666667,
"spacegroup": 62
},
{
"id": "jvasp-42709",
"created_at": "2022-09-04T14:37:13.341327Z",
"updated_at": "2022-09-04T14:37:13.341378Z",
"structure_string": "V4 O4 F12\n1.0\n5.612674 -0.014090 -0.003143\n0.330178 5.618024 -0.034398\n0.005012 0.049856 8.071938\nV O F\n4 4 12\ndirect\n0.077611 0.045667 -0.000017 V\n0.567739 0.488151 0.000019 V\n0.457031 0.939622 0.499988 V\n0.958213 0.439833 0.500014 V\n0.278554 0.242604 -0.000061 O\n0.758026 0.248462 0.500073 O\n0.252171 0.753236 0.499916 O\n0.781311 0.278150 0.000112 O\n0.482558 0.502045 0.789727 F\n0.991613 0.513868 0.710906 F\n-0.008047 0.012963 0.791169 F\n0.731111 0.734327 0.500131 F\n0.236750 0.239595 0.499875 F\n0.495068 0.009947 0.288904 F\n-0.008745 0.513983 0.289102 F\n0.482211 0.502091 0.210249 F\n0.494670 0.010002 0.711089 F\n0.247978 0.765996 -0.000115 F\n0.992292 0.012863 0.208863 F\n0.731881 0.746599 0.000058 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.233666029116292,
"density_atomic": 0.07856302762668867,
"volume": 254.57267373954662,
"volume_molar": 7.665362374545526,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8048417094999998,
"spacegroup": 6
},
{
"id": "jvasp-7875",
"created_at": "2022-09-04T14:37:06.360827Z",
"updated_at": "2022-09-04T14:37:06.360848Z",
"structure_string": "Nd1 Cr1 O3\n1.0\n3.859297 0.000000 0.000000\n-0.000000 3.859297 -0.000000\n-0.000000 0.000000 3.859297\nNd Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Cr",
"O"
],
"chemical_system": "Cr-Nd-O",
"density": 7.055612223679082,
"density_atomic": 0.08698520648580012,
"volume": 57.4810384661928,
"volume_molar": 6.923178093487751,
"formula_full": "Nd1 Cr1 O3",
"formula_reduced": "NdCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.34083588,
"spacegroup": 221
},
{
"id": "jvasp-36627",
"created_at": "2022-09-04T14:37:07.997609Z",
"updated_at": "2022-09-04T14:37:07.997633Z",
"structure_string": "V1 Cd1 O3\n1.0\n3.803775 0.000000 -0.000000\n-0.000000 3.803775 -0.000000\n0.000000 0.000000 3.803775\nV Cd O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 V\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 6.376881237625388,
"density_atomic": 0.09085012833185357,
"volume": 55.0356955109211,
"volume_molar": 6.62865410382534,
"formula_full": "V1 Cd1 O3",
"formula_reduced": "VCdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6851388899999995,
"spacegroup": 221
},
{
"id": "jvasp-13401",
"created_at": "2022-09-04T14:37:08.017234Z",
"updated_at": "2022-09-04T14:37:08.017266Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512955 -0.072487\n8.337932 0.000000 0.000000\n0.000000 -2.393692 -10.212006\nSi H I\n4 12 4\ndirect\n0.558714 0.928701 0.290733 Si\n0.441287 0.428701 0.209268 Si\n0.441288 0.071299 0.709268 Si\n0.558714 0.571299 0.790733 Si\n0.778773 0.013758 0.227032 H\n0.221228 0.513758 0.272969 H\n0.221228 0.986242 0.772969 H\n0.778774 0.486242 0.727032 H\n0.411962 0.462136 0.871246 H\n0.588040 0.962136 0.628755 H\n0.588040 0.537864 0.128755 H\n0.411962 0.037864 0.371245 H\n0.333746 0.667311 0.696773 H\n0.666257 0.167311 0.803228 H\n0.666256 0.332689 0.303228 H\n0.333745 0.832689 0.196772 H\n0.863816 0.730459 0.443291 I\n0.136185 0.230459 0.056710 I\n0.136186 0.269540 0.556710 I\n0.863816 0.769540 0.943291 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Si",
"H",
"I"
],
"chemical_system": "H-I-Si",
"density": 2.721082125518028,
"density_atomic": 0.05185224525357078,
"volume": 385.711359309416,
"volume_molar": 11.614040492461198,
"formula_full": "Si4 H12 I4",
"formula_reduced": "SiH3I",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.222342975,
"spacegroup": 14
},
{
"id": "jvasp-34550",
"created_at": "2022-09-04T14:37:08.020613Z",
"updated_at": "2022-09-04T14:37:08.020629Z",
"structure_string": "K4 Cl4 O12\n1.0\n4.628117 0.000000 0.000000\n0.000000 5.585603 0.000000\n0.000000 0.000000 13.071142\nK Cl O\n4 4 12\ndirect\n0.982556 0.250000 0.354044 K\n0.017445 0.750000 0.645956 K\n0.482556 0.750000 0.145956 K\n0.517445 0.250000 0.854044 K\n0.527713 0.750000 0.414200 Cl\n0.972288 0.750000 0.914200 Cl\n0.027713 0.250000 0.085800 Cl\n0.472288 0.250000 0.585799 Cl\n0.521353 0.465862 0.652146 O\n0.656696 0.750000 0.941387 O\n0.978648 0.034137 0.152146 O\n0.343304 0.250000 0.058613 O\n0.521353 0.034137 0.652146 O\n0.478647 0.534137 0.347854 O\n0.021353 0.965862 0.847853 O\n0.156696 0.250000 0.558613 O\n0.478647 0.965862 0.347854 O\n0.021353 0.534137 0.847853 O\n0.843305 0.750000 0.441387 O\n0.978648 0.465862 0.152146 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cl",
"O"
],
"chemical_system": "Cl-K-O",
"density": 2.408977288513349,
"density_atomic": 0.059189145300812714,
"volume": 337.8997939293674,
"volume_molar": 10.174400609088218,
"formula_full": "K4 Cl4 O12",
"formula_reduced": "KClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.332051075666666,
"spacegroup": 62
}
]
}