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=-nelements&page=112",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=110",
"results": [
{
"id": "jvasp-97031",
"created_at": "2022-09-04T14:36:35.569971Z",
"updated_at": "2022-09-04T14:36:35.569998Z",
"structure_string": "La2 Fe2 As2 O2\n1.0\n4.024660 -0.000000 0.000000\n0.000000 4.024660 -0.000000\n0.000000 0.000000 8.562617\nLa Fe As O\n2 2 2 2\ndirect\n0.250000 0.250000 0.146056 La\n0.750000 0.750000 0.853944 La\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.250000 0.250000 0.639852 As\n0.750000 0.750000 0.360148 As\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-La-O",
"density": 6.840392924937613,
"density_atomic": 0.05767997631953673,
"volume": 138.69631214273448,
"volume_molar": 10.440608932705555,
"formula_full": "La2 Fe2 As2 O2",
"formula_reduced": "LaFeAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.0223289375,
"spacegroup": 129
},
{
"id": "jvasp-101958",
"created_at": "2022-09-04T14:36:45.735912Z",
"updated_at": "2022-09-04T14:36:45.735932Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n4.134760 -0.108902 -0.452823\n-1.248664 4.075932 -0.190188\n0.080638 -0.107716 12.147850\nCd H C O\n1 12 8 4\ndirect\n0.425061 0.081070 0.176952 Cd\n0.236024 0.822377 0.557795 H\n0.429005 0.705623 0.886438 H\n0.332610 0.324571 0.943287 H\n0.051962 0.813625 0.770462 H\n0.632433 0.721226 0.705031 H\n0.108850 0.314933 0.663392 H\n0.799042 0.720003 0.508131 H\n0.882618 0.270785 0.857491 H\n0.480434 0.165693 0.780120 H\n0.244852 0.279707 0.466929 H\n0.809345 0.168899 0.420993 H\n0.678578 0.200854 0.607894 H\n0.772111 0.689905 0.022257 C\n0.542057 0.520349 0.916986 C\n0.689842 0.377136 0.823047 C\n0.825777 0.607552 0.734443 C\n-0.000207 0.613203 0.535301 C\n0.040436 0.383493 0.440386 C\n0.132973 0.526827 0.332279 C\n0.905079 0.417892 0.635750 C\n0.070545 0.884528 0.016151 O\n0.328978 0.822808 0.334845 O\n0.023242 0.330746 0.241959 O\n0.645310 0.642349 0.114808 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.327015277268855,
"density_atomic": 0.12310375593667655,
"volume": 203.0807249525333,
"volume_molar": 4.891922845228001,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42247255,
"spacegroup": 1
},
{
"id": "jvasp-104525",
"created_at": "2022-09-04T14:36:44.955928Z",
"updated_at": "2022-09-04T14:36:44.955955Z",
"structure_string": "Na2 Sc1 Cu1 Cl6\n1.0\n6.050101 -0.000000 3.493027\n2.016700 5.704090 3.493027\n-0.000000 -0.000000 6.986055\nNa Sc Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.749993 0.250007 0.250007 Cl\n0.250007 0.250007 0.749993 Cl\n0.250007 0.749992 0.749992 Cl\n0.250007 0.749993 0.250007 Cl\n0.749993 0.250007 0.749992 Cl\n0.749993 0.749993 0.250007 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Sc",
"density": 2.529124016550798,
"density_atomic": 0.04147811443944469,
"volume": 241.09099787068044,
"volume_molar": 14.51883925146098,
"formula_full": "Na2 Sc1 Cu1 Cl6",
"formula_reduced": "Na2ScCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0017078105,
"spacegroup": 225
},
{
"id": "jvasp-100037",
"created_at": "2022-09-04T14:36:37.602505Z",
"updated_at": "2022-09-04T14:36:37.602532Z",
"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.409620 0.025931 -1.281312\n-1.316743 6.368900 -1.131126\n-0.059890 0.048914 6.656464\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.004059 0.000025 0.987267 Ba\n0.814563 0.534461 0.403204 Ga\n0.547233 0.396113 0.820862 Ga\n0.396399 0.823409 0.544083 Ge\n0.253643 0.137992 0.573423 Se\n0.134627 0.591098 0.261447 Se\n0.582844 0.254134 0.136296 Se\n0.733705 0.885542 0.455243 Se\n0.895461 0.451182 0.747611 Se\n0.453097 0.741670 0.886189 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"Se"
],
"chemical_system": "Ba-Ga-Ge-Se",
"density": 5.027086789259552,
"density_atomic": 0.03677698888097576,
"volume": 271.9091558138101,
"volume_molar": 16.37475210243537,
"formula_full": "Ba1 Ga2 Ge1 Se6",
"formula_reduced": "BaGa2GeSe6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.8758356769999999,
"spacegroup": 1
},
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O",
"density": 5.746658322751521,
"density_atomic": 0.04401568277640424,
"volume": 159.03422504109224,
"volume_molar": 13.681806983642488,
"formula_full": "Ba2 Mn2 As2 O1",
"formula_reduced": "Ba2Mn2As2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.289596203251232,
"spacegroup": 12
},
{
"id": "jvasp-100138",
"created_at": "2022-09-04T14:36:37.576370Z",
"updated_at": "2022-09-04T14:36:37.576397Z",
"structure_string": "Mg1 Cu3 Ni1 Se4\n1.0\n5.713491 0.000000 -0.000000\n-0.000000 5.713491 0.000000\n0.000000 -0.000000 5.713491\nMg Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.242102 0.242102 0.242102 Se\n0.757898 0.757898 0.242102 Se\n0.242102 0.757898 0.757898 Se\n0.757898 0.242102 0.757898 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Ni",
"Se"
],
"chemical_system": "Cu-Mg-Ni-Se",
"density": 5.248206045849649,
"density_atomic": 0.04825450518606103,
"volume": 186.51108254654267,
"volume_molar": 12.479955471058437,
"formula_full": "Mg1 Cu3 Ni1 Se4",
"formula_reduced": "MgCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5554662518518518,
"spacegroup": 215
},
{
"id": "jvasp-47561",
"created_at": "2022-09-04T14:36:37.544555Z",
"updated_at": "2022-09-04T14:36:37.544575Z",
"structure_string": "Li3 Mn1 Co2 O6\n1.0\n5.764866 -2.735751 -0.001436\n0.000000 -1.488377 2.433395\n-3.331815 -3.975739 -2.431746\nLi Mn Co O\n3 1 2 6\ndirect\n0.993482 0.003257 0.503278 Li\n0.333334 0.333331 0.833333 Li\n0.673186 0.663405 0.163388 Li\n0.333334 0.333332 0.333333 Mn\n-0.000020 0.000009 0.999110 Co\n0.666689 0.666654 0.667557 Co\n0.013881 0.493059 0.235890 O\n0.342729 0.828634 0.570477 O\n0.682009 0.158994 0.900230 O\n0.323940 0.838029 0.096191 O\n0.652788 0.173604 0.430777 O\n0.984660 0.507667 0.766438 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.86649346188655,
"density_atomic": 0.12142664423414574,
"volume": 98.8250978661695,
"volume_molar": 4.959488749757068,
"formula_full": "Li3 Mn1 Co2 O6",
"formula_reduced": "Li3Mn(CoO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.633099170114942,
"spacegroup": 12
},
{
"id": "jvasp-99351",
"created_at": "2022-09-04T14:36:37.529918Z",
"updated_at": "2022-09-04T14:36:37.529949Z",
"structure_string": "Yb4 Mg4 Fe3 H22\n1.0\n6.576510 -0.000000 0.000000\n0.000000 6.576510 0.000000\n-0.000000 -0.000000 6.576510\nYb Mg Fe H\n4 4 3 22\ndirect\n0.290453 0.290453 0.709547 Yb\n0.290453 0.709547 0.290453 Yb\n0.709547 0.290453 0.290453 Yb\n0.709547 0.709547 0.709547 Yb\n0.786611 0.786611 0.213389 Mg\n0.786611 0.213389 0.786611 Mg\n0.213389 0.786611 0.786611 Mg\n0.213389 0.213389 0.213389 Mg\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.240853 0.500000 0.000000 H\n0.626311 0.373689 0.626311 H\n0.626311 0.626311 0.373689 H\n0.260360 0.000000 0.000000 H\n0.000000 0.260360 0.000000 H\n0.000000 0.000000 0.739640 H\n0.739640 0.000000 0.000000 H\n0.000000 0.739640 0.000000 H\n0.000000 0.000000 0.260360 H\n0.240853 0.000000 0.500000 H\n0.759147 0.500000 0.000000 H\n0.000000 0.240853 0.500000 H\n0.500000 0.240853 0.000000 H\n0.000000 0.500000 0.759147 H\n0.373689 0.626311 0.626311 H\n0.500000 0.000000 0.240853 H\n0.000000 0.759147 0.500000 H\n0.759147 0.000000 0.500000 H\n0.500000 0.759147 0.000000 H\n0.000000 0.500000 0.240853 H\n0.500000 0.000000 0.759147 H\n0.373689 0.373689 0.373689 H\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Yb",
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg-Yb",
"density": 5.715906498659808,
"density_atomic": 0.11601856390603356,
"volume": 284.4372390846654,
"volume_molar": 5.190669973192814,
"formula_full": "Yb4 Mg4 Fe3 H22",
"formula_reduced": "Yb4Mg4Fe3H22",
"formula_anonymous": "A3B4C4D22",
"energy_above_hull": 2.3444153181818184,
"spacegroup": 215
},
{
"id": "jvasp-97647",
"created_at": "2022-09-04T14:36:18.831379Z",
"updated_at": "2022-09-04T14:36:18.831407Z",
"structure_string": "Hg2 H32 Br12 N8\n1.0\n9.042498 0.000000 0.000000\n0.000000 9.040688 0.000000\n0.000000 0.000000 8.874063\nHg H Br N\n2 32 12 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.255193 0.858404 0.308425 H\n0.642241 0.244786 0.808272 H\n0.142241 0.255215 0.308273 H\n0.441928 0.857290 0.674071 H\n0.142595 0.441961 0.326031 H\n0.244807 0.358404 0.808425 H\n0.857406 0.558039 0.326031 H\n0.357405 0.941961 0.826031 H\n0.357759 0.755215 0.808272 H\n0.755194 0.641596 0.808425 H\n0.857759 0.744786 0.691727 H\n0.857759 0.744786 0.308273 H\n0.558073 0.142711 0.325929 H\n0.941928 0.642711 0.174071 H\n0.142595 0.441961 0.673968 H\n0.558073 0.142711 0.674071 H\n0.744807 0.141596 0.691574 H\n0.941928 0.642711 0.825929 H\n0.357759 0.755215 0.191727 H\n0.744807 0.141596 0.308425 H\n0.755194 0.641596 0.191574 H\n0.255193 0.858404 0.691574 H\n0.142241 0.255215 0.691727 H\n0.642595 0.058039 0.826031 H\n0.244807 0.358404 0.191574 H\n0.642241 0.244786 0.191727 H\n0.441928 0.857290 0.325929 H\n0.857406 0.558039 0.673968 H\n0.642595 0.058039 0.173968 H\n0.357405 0.941961 0.173968 H\n0.058073 0.357290 0.825929 H\n0.058073 0.357290 0.174071 H\n0.823631 0.368170 0.500000 Br\n0.368215 0.176350 0.500000 Br\n0.000000 0.000000 0.705191 Br\n0.000000 0.000000 0.294808 Br\n0.676370 0.868170 0.000000 Br\n0.131785 0.676350 0.000000 Br\n0.631786 0.823650 0.500000 Br\n0.500000 0.500000 0.205191 Br\n0.868215 0.323650 0.000000 Br\n0.500000 0.500000 0.794808 Br\n0.176369 0.631830 0.500000 Br\n0.323631 0.131830 0.000000 Br\n0.853868 0.646003 0.750014 N\n0.353868 0.853997 0.749985 N\n0.146132 0.353997 0.750014 N\n0.146132 0.353997 0.249985 N\n0.646132 0.146003 0.749985 N\n0.353868 0.853997 0.250015 N\n0.853868 0.646003 0.249985 N\n0.646132 0.146003 0.250015 N\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Hg",
"H",
"Br",
"N"
],
"chemical_system": "Br-H-Hg-N",
"density": 3.4433521736103287,
"density_atomic": 0.07443571238545424,
"volume": 725.4582279050283,
"volume_molar": 8.090391785081925,
"formula_full": "Hg2 H32 Br12 N8",
"formula_reduced": "HgH16(Br3N2)2",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.809894527037037,
"spacegroup": 128
},
{
"id": "jvasp-48294",
"created_at": "2022-09-04T14:36:22.442030Z",
"updated_at": "2022-09-04T14:36:22.442052Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n5.860566 0.075221 0.200377\n-1.751131 5.745467 0.157286\n-1.291699 -1.431767 7.590332\nLi Mn P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 -0.000000 0.500000 Li\n0.654527 0.306420 0.786970 Mn\n0.345474 0.693580 0.213030 Mn\n0.195063 0.471201 0.795589 P\n0.582706 0.774587 0.672162 P\n0.417295 0.225413 0.327839 P\n0.804938 0.528799 0.204412 P\n0.384621 0.013950 0.188313 O\n0.268175 0.371738 0.241440 O\n0.695345 0.383987 0.354825 O\n0.050199 0.697206 0.299256 O\n0.644412 0.833601 0.498248 O\n0.355589 0.166399 0.501753 O\n0.615380 -0.013951 0.811687 O\n0.304656 0.616013 0.645176 O\n0.731826 0.628262 0.758561 O\n0.650126 0.689334 0.151280 O\n0.349875 0.310666 0.848721 O\n0.187063 0.649128 0.942950 O\n0.949802 0.302794 0.700744 O\n0.812938 0.350872 0.057051 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.0137193473834265,
"density_atomic": 0.08465671184943986,
"volume": 259.87307467276224,
"volume_molar": 7.11360107006075,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.8579911583072097,
"spacegroup": 2
},
{
"id": "jvasp-48967",
"created_at": "2022-09-04T14:36:15.637673Z",
"updated_at": "2022-09-04T14:36:15.637696Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.879201 -0.000000 -0.000000\n-0.000000 2.879201 0.000000\n-0.000000 -0.000000 8.768648\nLi Ni O F\n1 3 3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.255222 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.744778 Ni\n0.500000 0.500000 0.252416 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.747584 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.7114111738193385,
"density_atomic": 0.11005591313463084,
"volume": 72.69032414654214,
"volume_molar": 5.4718920487562945,
"formula_full": "Li1 Ni3 O3 F1",
"formula_reduced": "LiNi3O3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.4335634978125,
"spacegroup": 123
},
{
"id": "jvasp-99687",
"created_at": "2022-09-04T14:36:38.029552Z",
"updated_at": "2022-09-04T14:36:38.029572Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n6.406977 -0.000000 3.699070\n2.135659 6.040556 3.699070\n-0.000000 -0.000000 7.398140\nK Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.754191 0.245809 0.245809 Cl\n0.245809 0.245809 0.754191 Cl\n0.245809 0.754191 0.754191 Cl\n0.245809 0.754191 0.245809 Cl\n0.754191 0.245809 0.754191 Cl\n0.754191 0.754191 0.245809 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Na-Tm",
"density": 2.8002605073444737,
"density_atomic": 0.03492588138021563,
"volume": 286.32061968992065,
"volume_molar": 17.2426307426313,
"formula_full": "K2 Na1 Tm1 Cl6",
"formula_reduced": "K2NaTmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}