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=id&page=501",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=499",
"results": [
{
"id": "jvasp-108828",
"created_at": "2022-09-04T14:38:19.727254Z",
"updated_at": "2022-09-04T14:38:19.727271Z",
"structure_string": "Li2 Cr1 Ni1 O4\n1.0\n3.654808 -0.028014 -3.467432\n-0.693747 3.588472 -3.467432\n0.023311 0.028027 5.037549\nLi Cr Ni O\n2 1 1 4\ndirect\n0.250016 0.749984 0.500000 Li\n0.499965 0.500035 0.000000 Li\n0.750000 0.250001 0.500001 Cr\n0.000062 -0.000063 -0.000000 Ni\n0.516612 0.016734 0.500175 O\n0.232784 0.232707 -0.000008 O\n0.983266 0.483389 0.499828 O\n0.767293 0.767216 0.000009 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.69557887262889,
"density_atomic": 0.119966365350104,
"volume": 66.68535782219615,
"volume_molar": 5.019857642952904,
"formula_full": "Li2 Cr1 Ni1 O4",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.219899225,
"spacegroup": 119
},
{
"id": "jvasp-108829",
"created_at": "2022-09-04T14:38:27.215271Z",
"updated_at": "2022-09-04T14:38:27.215292Z",
"structure_string": "Li1 V2 O4\n1.0\n2.437741 -0.000048 4.565817\n-0.039563 2.899083 9.926512\n-0.039546 -0.000133 9.926395\nLi V O\n1 2 4\ndirect\n0.500012 0.500001 0.499990 Li\n0.000037 0.499994 -0.000012 V\n0.999956 0.000004 0.000019 V\n0.253017 0.500012 0.266737 O\n0.746996 0.499993 0.733270 O\n0.270084 0.000005 0.253582 O\n0.729894 0.999988 0.746420 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.060306847866657,
"density_atomic": 0.09903980499293168,
"volume": 70.6786528961722,
"volume_molar": 6.080525663827579,
"formula_full": "Li1 V2 O4",
"formula_reduced": "LiV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7535960571428566,
"spacegroup": 10
},
{
"id": "jvasp-10883",
"created_at": "2022-09-04T14:37:10.258477Z",
"updated_at": "2022-09-04T14:37:10.258497Z",
"structure_string": "K2 Tb2 Ge2 S8\n1.0\n0.000000 6.507711 0.019635\n6.669362 0.000000 0.000000\n0.000000 -2.614400 -8.140995\nTb K Ge S\n2 2 2 8\ndirect\n0.229570 0.363853 0.552256 Tb\n0.770429 0.863853 0.447743 Tb\n0.738220 0.877127 0.937123 K\n0.261779 0.377127 0.062876 K\n0.220696 0.897332 0.321114 Ge\n0.779304 0.397332 0.678885 Ge\n0.031919 0.637642 0.723356 S\n0.423353 0.900697 0.157176 S\n0.565992 0.464290 0.424193 S\n0.434007 0.964290 0.575806 S\n0.576647 0.400697 0.842823 S\n0.011693 0.624789 0.292680 S\n0.968080 0.137642 0.276643 S\n0.988307 0.124789 0.707319 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S-Tb",
"density": 3.753183944687832,
"density_atomic": 0.03966057518681861,
"volume": 352.9953848136063,
"volume_molar": 15.184199249842166,
"formula_full": "K2 Tb2 Ge2 S8",
"formula_reduced": "KTbGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2532189071428572,
"spacegroup": 4
},
{
"id": "jvasp-108830",
"created_at": "2022-09-04T14:38:27.647247Z",
"updated_at": "2022-09-04T14:38:27.647267Z",
"structure_string": "Co2 O2 F2\n1.0\n4.477532 0.060146 0.000000\n-0.580748 4.440117 0.000000\n-0.000000 -0.000000 2.919818\nCo O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.301384 0.301385 -0.000000 O\n0.698616 0.698617 -0.000000 O\n0.209555 0.790445 0.500000 F\n0.790444 0.209557 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.364592881643313,
"density_atomic": 0.10318106083274146,
"volume": 58.15020655511692,
"volume_molar": 5.836478818299812,
"formula_full": "Co2 O2 F2",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1550748941666666,
"spacegroup": 65
},
{
"id": "jvasp-108831",
"created_at": "2022-09-04T14:38:27.659352Z",
"updated_at": "2022-09-04T14:38:27.659369Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.877544 -0.000000 0.000000\n0.000000 2.877544 0.000000\n-0.000000 -0.000000 8.661831\nLi Ni O F\n1 3 3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.499999 0.499999 0.755465 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.244535 Ni\n0.000000 0.000000 0.752109 O\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.247891 O\n0.499999 0.499999 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.7885045661904595,
"density_atomic": 0.11154146257868815,
"volume": 71.72220818205886,
"volume_molar": 5.399015416129777,
"formula_full": "Li1 Ni3 O3 F1",
"formula_reduced": "LiNi3O3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.4310947478125,
"spacegroup": 123
},
{
"id": "jvasp-108832",
"created_at": "2022-09-04T14:37:56.496824Z",
"updated_at": "2022-09-04T14:37:56.496852Z",
"structure_string": "Na1 Ni2 O3\n1.0\n2.968787 0.001012 -0.000509\n-1.483913 2.563738 -0.003022\n-0.001245 -0.012703 7.581565\nNa Ni O\n1 2 3\ndirect\n0.999999 -0.000002 0.499999 Na\n0.332093 0.664707 0.163454 Ni\n0.667909 0.335295 0.836546 Ni\n0.334798 0.669121 0.708204 O\n0.000007 0.000002 0.000000 O\n0.665201 0.330880 0.291797 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 5.41970377878778,
"density_atomic": 0.1039572948205062,
"volume": 57.71600742746977,
"volume_molar": 5.7928986805571405,
"formula_full": "Na1 Ni2 O3",
"formula_reduced": "NaNi2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4031157166666666,
"spacegroup": 164
},
{
"id": "jvasp-108833",
"created_at": "2022-09-04T14:37:59.445118Z",
"updated_at": "2022-09-04T14:37:59.445134Z",
"structure_string": "Li1 Fe3 O4\n1.0\n5.093264 0.006986 0.000000\n-1.561594 4.847970 0.000000\n-0.000000 -0.000000 2.997893\nLi Fe O\n1 3 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.245773 0.245773 0.500000 O\n0.255451 0.744550 -0.000000 O\n0.744549 0.255451 -0.000000 O\n0.754227 0.754227 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.347186484038989,
"density_atomic": 0.1080254072164984,
"volume": 74.05665209821291,
"volume_molar": 5.574744789372343,
"formula_full": "Li1 Fe3 O4",
"formula_reduced": "LiFe3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.8267163125,
"spacegroup": 65
},
{
"id": "jvasp-108834",
"created_at": "2022-09-04T14:38:02.059090Z",
"updated_at": "2022-09-04T14:38:02.059117Z",
"structure_string": "Pm4 S6\n1.0\n6.264517 -0.002757 4.117256\n2.219471 5.858168 4.117256\n-0.003994 -0.002757 7.496396\nPm S\n4 6\ndirect\n0.853330 0.853329 0.853330 Pm\n0.646672 0.646670 0.646672 Pm\n0.353330 0.353329 0.353330 Pm\n0.146671 0.146671 0.146671 Pm\n0.952622 0.249999 0.547380 S\n0.250001 0.547379 0.952621 S\n0.547380 0.952621 0.250001 S\n0.452622 0.047379 0.750000 S\n0.750000 0.452621 0.047380 S\n0.047379 0.750000 0.452621 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pm",
"S"
],
"chemical_system": "Pm-S",
"density": 4.658937241746329,
"density_atomic": 0.03632462340462508,
"volume": 275.2953523731987,
"volume_molar": 16.578673625652026,
"formula_full": "Pm4 S6",
"formula_reduced": "Pm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4528324700000002,
"spacegroup": 167
},
{
"id": "jvasp-108836",
"created_at": "2022-09-04T14:38:06.037082Z",
"updated_at": "2022-09-04T14:38:06.037105Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n4.652724 0.000000 0.000000\n0.000000 4.652724 0.000000\n0.000000 0.000000 6.157635\nCa Sn S\n1 1 3\ndirect\n0.500000 0.500000 0.368374 Ca\n0.000000 0.000000 0.808045 Sn\n0.000000 0.000000 0.194693 S\n-0.000000 0.500000 0.634443 S\n0.500000 0.000000 0.634443 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.1763752256926767,
"density_atomic": 0.03750951773708148,
"volume": 133.29950107721746,
"volume_molar": 16.054967174495506,
"formula_full": "Ca1 Sn1 S3",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.012412424,
"spacegroup": 99
},
{
"id": "jvasp-108837",
"created_at": "2022-09-04T14:38:18.319478Z",
"updated_at": "2022-09-04T14:38:18.319504Z",
"structure_string": "Pm2 Tl1 Ag1\n1.0\n4.646338 -0.000000 2.682564\n1.548779 4.380609 2.682564\n-0.000000 -0.000000 5.365129\nPm Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.749999 Pm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pm-Tl",
"density": 9.158018752696362,
"density_atomic": 0.036629798700719605,
"volume": 109.20070930997004,
"volume_molar": 16.44055106391205,
"formula_full": "Pm2 Tl1 Ag1",
"formula_reduced": "Pm2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4733130524999999,
"spacegroup": 225
},
{
"id": "jvasp-108838",
"created_at": "2022-09-04T14:38:19.015175Z",
"updated_at": "2022-09-04T14:38:19.015199Z",
"structure_string": "Ti1 Tl3\n1.0\n4.590645 -0.000000 0.000000\n0.000000 4.590645 0.000000\n0.000000 0.000000 4.590645\nTi Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.499999 0.499999 Tl\n0.499999 0.000000 0.499999 Tl\n0.499999 0.499999 -0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Tl"
],
"chemical_system": "Ti-Tl",
"density": 11.345941287812686,
"density_atomic": 0.04134651051343224,
"volume": 96.7433515024326,
"volume_molar": 14.565052008545166,
"formula_full": "Ti1 Tl3",
"formula_reduced": "TiTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5493790333333334,
"spacegroup": 221
},
{
"id": "jvasp-108839",
"created_at": "2022-09-04T14:38:18.791906Z",
"updated_at": "2022-09-04T14:38:18.791930Z",
"structure_string": "Sc1 H1 O2\n1.0\n3.040286 0.000696 3.820635\n1.335133 2.731439 3.820635\n0.001115 0.000696 4.882682\nSc H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500002 0.500000 H\n0.410233 0.410235 0.410234 O\n0.589765 0.589768 0.589767 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 3.194428211136872,
"density_atomic": 0.09870006136696961,
"volume": 40.52682383983417,
"volume_molar": 6.1014559429801265,
"formula_full": "Sc1 H1 O2",
"formula_reduced": "ScHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8169530625,
"spacegroup": 166
}
]
}