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=3557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3555",
"results": [
{
"id": "jvasp-47261",
"created_at": "2022-09-04T14:38:09.460626Z",
"updated_at": "2022-09-04T14:38:09.460650Z",
"structure_string": "Li4 Si2 Ni1 O7\n1.0\n4.433264 -0.002966 0.012460\n-2.180897 4.779417 -0.024209\n-0.133505 -1.133168 6.646994\nLi Si Ni O\n4 2 1 7\ndirect\n0.134366 0.298071 0.435774 Li\n0.705329 0.430968 0.144033 Li\n0.283853 0.583103 0.852770 Li\n0.839953 0.705529 0.566383 Li\n0.587631 0.152139 0.709148 Si\n0.430473 0.850049 0.286949 Si\n0.009790 0.023239 0.005197 Ni\n0.766281 0.106893 0.226569 O\n0.405146 0.268734 0.887418 O\n0.915583 0.408672 0.652364 O\n0.501312 0.589407 0.343188 O\n0.129481 0.737577 0.104745 O\n0.670069 0.895264 0.774603 O\n0.311160 0.999370 0.498038 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.0047843540795385,
"density_atomic": 0.09949300999650615,
"volume": 140.7134028862091,
"volume_molar": 6.052827992852439,
"formula_full": "Li4 Si2 Ni1 O7",
"formula_reduced": "Li4Si2NiO7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.20927815,
"spacegroup": 1
},
{
"id": "jvasp-9607",
"created_at": "2022-09-04T14:38:13.959670Z",
"updated_at": "2022-09-04T14:38:13.959694Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.652743 -0.026828 -1.363987\n-3.022367 4.776978 -1.363987\n-0.013205 -0.023847 6.713524\nCd Si O\n4 2 8\ndirect\n0.807896 0.192101 0.749999 Cd\n0.442101 0.557897 0.749999 Cd\n0.192101 0.807898 0.249999 Cd\n0.557897 0.442102 0.249999 Cd\n0.124999 0.875000 0.749999 Si\n0.874999 0.125000 0.249999 Si\n0.249869 0.208475 0.898109 O\n0.310364 0.851761 0.601889 O\n0.791522 0.750129 0.601888 O\n0.148238 0.689634 0.898109 O\n0.750129 0.791524 0.101889 O\n0.689633 0.148239 0.398109 O\n0.851760 0.310365 0.101889 O\n0.208475 0.249870 0.398110 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 5.834963973632426,
"density_atomic": 0.07761718594500586,
"volume": 180.3724243483837,
"volume_molar": 7.7587723474887,
"formula_full": "Cd4 Si2 O8",
"formula_reduced": "Cd2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1811760142857135,
"spacegroup": 70
},
{
"id": "jvasp-9906",
"created_at": "2022-09-04T14:38:29.111129Z",
"updated_at": "2022-09-04T14:38:29.111152Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.346982 0.009870 -0.001976\n3.164364 5.813816 -0.000587\n3.171896 1.990586 5.456599\nMg Sn O\n2 4 8\ndirect\n0.144678 0.605209 0.105019 Mg\n0.854900 0.394802 0.894987 Mg\n0.510023 0.000007 0.000001 Sn\n0.500903 0.974028 0.524958 Sn\n0.999900 0.025992 0.475046 Sn\n0.488791 0.500003 0.500000 Sn\n0.723068 0.257128 0.756679 O\n0.262164 0.257009 0.757608 O\n0.703320 0.760998 0.805800 O\n0.297797 0.694026 0.738857 O\n0.270117 0.239025 0.194170 O\n0.736873 0.742868 0.243311 O\n0.730657 0.305936 0.261179 O\n0.276804 0.742978 0.242379 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.376211940026721,
"density_atomic": 0.06957887953963131,
"volume": 201.21048359259314,
"volume_molar": 8.655127532730475,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3201109214285711,
"spacegroup": 24
},
{
"id": "jvasp-9883",
"created_at": "2022-09-04T14:38:14.051795Z",
"updated_at": "2022-09-04T14:38:14.051826Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n4.872265 -0.000000 -2.558002\n-1.342983 4.683521 -2.558002\n0.667146 0.885335 7.189866\nCa Cu O\n2 4 8\ndirect\n0.375001 0.624999 0.750001 Ca\n0.625001 0.375000 0.250001 Ca\n0.000000 -0.000001 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.760801 0.787726 0.521602 O\n0.766128 0.239199 0.978399 O\n0.212274 0.239199 0.978399 O\n0.239200 0.212273 0.478399 O\n0.239201 0.766126 0.478399 O\n0.233873 0.760800 0.021602 O\n0.760801 0.233872 0.521602 O\n0.787728 0.760800 0.021602 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.124532149903815,
"density_atomic": 0.07521365117393136,
"volume": 186.13642312916093,
"volume_molar": 8.006712433190906,
"formula_full": "Ca2 Cu4 O8",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1687393314285712,
"spacegroup": 141
},
{
"id": "jvasp-9908",
"created_at": "2022-09-04T14:38:29.554751Z",
"updated_at": "2022-09-04T14:38:29.554766Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.417683 0.003648 0.002254\n-0.003630 5.417613 -0.004903\n-2.708999 -2.706343 4.710099\nMg Cu O\n2 4 8\ndirect\n0.124965 0.374977 0.249947 Mg\n0.874985 0.624971 0.749954 Mg\n0.499997 0.000004 0.500008 Cu\n0.000006 0.000007 0.500013 Cu\n0.500011 0.000004 0.000010 Cu\n0.500001 0.500008 0.000011 Cu\n0.277486 0.986036 0.154026 O\n0.513958 0.623464 0.345986 O\n0.832018 0.222537 0.346000 O\n0.123463 0.332018 0.845992 O\n0.167994 0.777476 0.654017 O\n0.486043 0.376542 0.654032 O\n0.876535 0.667989 0.154016 O\n0.722534 0.013968 0.845990 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.175875406371602,
"density_atomic": 0.10129731750431317,
"volume": 138.20701618681946,
"volume_molar": 5.94501503926161,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1100934214285714,
"spacegroup": 88
},
{
"id": "jvasp-9924",
"created_at": "2022-09-04T14:38:14.112203Z",
"updated_at": "2022-09-04T14:38:14.112224Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n3.309604 0.000000 0.000000\n-1.654802 5.483317 0.000000\n0.000000 -0.000000 10.944969\nCa Sn O\n2 4 8\ndirect\n0.387227 0.774455 0.750000 Ca\n0.612772 0.225546 0.250000 Ca\n0.868819 0.737639 0.073792 Sn\n0.131181 0.262362 0.926208 Sn\n0.868819 0.737639 0.426208 Sn\n0.131181 0.262362 0.573792 Sn\n0.227630 0.455260 0.386672 O\n0.772370 0.544741 0.613328 O\n0.772370 0.544741 0.886672 O\n0.227630 0.455260 0.113328 O\n0.961125 0.922251 0.250000 O\n0.038875 0.077749 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.709923411379055,
"density_atomic": 0.07048457949917651,
"volume": 198.6250056320981,
"volume_molar": 8.543912445516339,
"formula_full": "Ca2 Sn4 O8",
"formula_reduced": "Ca(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.374456523809524,
"spacegroup": 63
},
{
"id": "jvasp-5371",
"created_at": "2022-09-04T14:38:14.710380Z",
"updated_at": "2022-09-04T14:38:14.710405Z",
"structure_string": "S6 N4 Cl4\n1.0\n0.000000 5.434283 0.170331\n8.647902 0.000000 0.000000\n0.000000 -1.482107 -6.345107\nS N Cl\n6 4 4\ndirect\n0.675394 0.172166 0.875317 S\n0.117530 0.776843 0.712411 S\n0.152591 0.522998 0.736028 S\n0.324605 0.672166 0.124684 S\n0.847409 0.022998 0.263972 S\n0.882469 0.276844 0.287590 S\n0.247419 0.514122 0.983103 N\n0.254563 0.804189 0.958352 N\n0.745436 0.304190 0.041649 N\n0.752580 0.014122 0.016898 N\n0.499158 0.989468 0.405467 Cl\n0.500841 0.489469 0.594534 Cl\n0.892580 0.647412 0.284300 Cl\n0.107419 0.147412 0.715701 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S",
"density": 2.1891109838275007,
"density_atomic": 0.04729632534502308,
"volume": 296.00608288003497,
"volume_molar": 12.732787835141405,
"formula_full": "S6 N4 Cl4",
"formula_reduced": "S3(NCl)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.665066376428572,
"spacegroup": 4
},
{
"id": "jvasp-26957",
"created_at": "2022-09-04T14:38:29.095091Z",
"updated_at": "2022-09-04T14:38:29.095118Z",
"structure_string": "Sc2 Fe8 P4\n1.0\n6.887199 0.000000 0.000000\n-0.000000 6.887199 0.000000\n0.000000 0.000000 3.565954\nSc Fe P\n2 8 4\ndirect\n0.000000 0.000000 0.499999 Sc\n0.500000 0.500000 0.000000 Sc\n0.580078 0.158110 0.499999 Fe\n0.841890 0.419922 0.499999 Fe\n0.080078 0.341890 0.000000 Fe\n0.919922 0.658110 0.000000 Fe\n0.419922 0.841890 0.499999 Fe\n0.158110 0.580078 0.499999 Fe\n0.341890 0.080078 0.000000 Fe\n0.658110 0.919922 0.000000 Fe\n0.720232 0.720232 0.499999 P\n0.220232 0.779768 0.000000 P\n0.279768 0.279768 0.499999 P\n0.779768 0.220232 0.000000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"P"
],
"chemical_system": "Fe-P-Sc",
"density": 6.484923944812844,
"density_atomic": 0.08276887182116315,
"volume": 169.14571495247014,
"volume_molar": 7.275852174247229,
"formula_full": "Sc2 Fe8 P4",
"formula_reduced": "Sc(Fe2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.530232607142856,
"spacegroup": 136
},
{
"id": "jvasp-52262",
"created_at": "2022-09-04T14:38:14.742122Z",
"updated_at": "2022-09-04T14:38:14.742146Z",
"structure_string": "Li2 Ag4 F8\n1.0\n5.491113 -0.030380 -0.000000\n-1.317934 5.330693 0.000000\n-0.000000 -0.000000 6.750825\nLi Ag F\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.001910 0.501910 0.250000 Ag\n0.498090 0.998089 0.750001 Ag\n0.501910 0.001910 0.250000 Ag\n0.998090 0.498090 0.750001 Ag\n0.213999 0.786001 0.000000 F\n0.286002 0.713998 0.500000 F\n0.241205 0.241205 0.768159 F\n0.258795 0.258795 0.268158 F\n0.741205 0.741204 0.731842 F\n0.758795 0.758795 0.231842 F\n0.713999 0.286001 0.500000 F\n0.786001 0.213999 0.000000 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.026500381083182,
"density_atomic": 0.07094496645734125,
"volume": 197.33605777963277,
"volume_molar": 8.488467978374583,
"formula_full": "Li2 Ag4 F8",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0433350645714284,
"spacegroup": 64
},
{
"id": "jvasp-9378",
"created_at": "2022-09-04T14:38:14.155507Z",
"updated_at": "2022-09-04T14:38:14.155536Z",
"structure_string": "Er4 Cd2 S8\n1.0\n6.841453 -0.000000 3.949914\n2.280485 6.450184 3.949914\n0.000000 0.000000 7.899830\nEr Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Er\n0.500000 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 -0.000000 0.500000 Er\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.742236 0.742236 0.742236 S\n0.257763 0.257764 0.726709 S\n0.257763 0.726708 0.257764 S\n0.726708 0.257764 0.257764 S\n0.742236 0.273291 0.742236 S\n0.273291 0.742236 0.742236 S\n0.257763 0.257764 0.257764 S\n0.742236 0.742236 0.273291 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Cd",
"S"
],
"chemical_system": "Cd-Er-S",
"density": 5.479632944612189,
"density_atomic": 0.04015964255556726,
"volume": 348.6086804838656,
"volume_molar": 14.995503885940739,
"formula_full": "Er4 Cd2 S8",
"formula_reduced": "Er2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.11428425,
"spacegroup": 227
},
{
"id": "jvasp-10046",
"created_at": "2022-09-04T14:38:14.374856Z",
"updated_at": "2022-09-04T14:38:14.374875Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.969422 -0.013387 -0.054157\n2.973118 5.176364 -0.054157\n2.936628 1.695463 4.795493\nMg V O\n2 4 8\ndirect\n0.125001 0.624999 0.624999 Mg\n0.625001 0.124999 0.624999 Mg\n0.996979 0.996977 0.003020 V\n0.253022 0.253021 0.246978 V\n0.625001 0.624999 0.124999 V\n0.625001 0.624999 0.624999 V\n0.385809 0.385808 0.371330 O\n0.382696 0.862195 0.377553 O\n0.385810 0.385808 0.857051 O\n0.862197 0.382694 0.377553 O\n0.387806 0.867304 0.872444 O\n0.867306 0.387803 0.872444 O\n0.864193 0.864190 0.392947 O\n0.864193 0.864190 0.878668 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.22569332507246,
"density_atomic": 0.09366326375225614,
"volume": 149.4716224819015,
"volume_molar": 6.429565358654225,
"formula_full": "Mg2 V4 O8",
"formula_reduced": "MgV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.488111635714285,
"spacegroup": 74
},
{
"id": "jvasp-12348",
"created_at": "2022-09-04T14:38:14.382718Z",
"updated_at": "2022-09-04T14:38:14.382742Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.549334 0.000000 0.000000\n0.000000 6.214802 0.000000\n0.000000 0.000000 10.161647\nSr Pb O\n4 2 8\ndirect\n0.499999 0.424387 0.818959 Sr\n0.499999 0.575613 0.181041 Sr\n0.499999 0.924387 0.681041 Sr\n0.499999 0.075613 0.318959 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.133683 0.804805 O\n0.000000 0.866317 0.195195 O\n0.000000 0.633682 0.695196 O\n0.000000 0.366317 0.304805 O\n0.499999 0.272774 0.551461 O\n0.499999 0.727226 0.448540 O\n0.499999 0.227226 0.051461 O\n0.499999 0.772774 0.948540 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.614569555173185,
"density_atomic": 0.06245824334527483,
"volume": 224.14975590342382,
"volume_molar": 9.641867009786138,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1576898009523808,
"spacegroup": 55
}
]
}