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=3661",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3659",
"results": [
{
"id": "jvasp-59909",
"created_at": "2022-09-04T14:37:17.051051Z",
"updated_at": "2022-09-04T14:37:17.051083Z",
"structure_string": "Li3 Co4 O8\n1.0\n5.437924 0.008787 8.269358\n2.479613 4.839691 8.269358\n0.010439 0.006393 4.954623\nLi Co O\n3 4 8\ndirect\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500001 Li\n0.749999 0.750000 0.500002 Li\n0.001970 0.001970 0.000466 Co\n0.001242 0.498758 0.000001 Co\n0.498758 0.001242 0.000000 Co\n0.498029 0.498030 -0.000464 Co\n0.128685 0.128685 0.277271 O\n0.125005 0.639447 0.260033 O\n0.639447 0.125006 0.260033 O\n0.630826 0.630827 0.254966 O\n0.371315 0.371315 0.722730 O\n0.374994 0.860552 0.739970 O\n0.860552 0.374995 0.739969 O\n0.869173 0.869174 0.745038 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.922854033357475,
"density_atomic": 0.1156392317868655,
"volume": 129.71376381716613,
"volume_molar": 5.207696961442463,
"formula_full": "Li3 Co4 O8",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.752794773333333,
"spacegroup": 12
},
{
"id": "jvasp-50732",
"created_at": "2022-09-04T14:37:10.491105Z",
"updated_at": "2022-09-04T14:37:10.491133Z",
"structure_string": "Li4 Ti3 O8\n1.0\n2.923088 -5.093325 0.000000\n2.915919 5.058913 -0.024280\n0.000000 -3.385451 4.798451\nLi Ti O\n4 3 8\ndirect\n0.125001 0.875000 0.625000 Li\n0.125001 0.875000 0.125000 Li\n0.625001 0.875000 0.625000 Li\n0.625001 0.875000 0.125000 Li\n0.125000 0.375000 0.625000 Ti\n0.625001 0.375000 0.625000 Ti\n0.625001 0.375000 0.125000 Ti\n0.378608 0.135822 0.378608 O\n0.409445 0.149206 0.869880 O\n0.380120 0.600794 0.840555 O\n0.380120 0.600794 0.380119 O\n0.869881 0.149206 0.869880 O\n0.869881 0.149206 0.409445 O\n0.840556 0.600794 0.380119 O\n0.871393 0.614178 0.871392 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.5011235400968075,
"density_atomic": 0.10564660290796211,
"volume": 141.98279534901653,
"volume_molar": 5.700269193933672,
"formula_full": "Li4 Ti3 O8",
"formula_reduced": "Li4Ti3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.5888322,
"spacegroup": 166
},
{
"id": "jvasp-34569",
"created_at": "2022-09-04T14:37:10.527560Z",
"updated_at": "2022-09-04T14:37:10.527586Z",
"structure_string": "Tm6 O9\n1.0\n3.420287 -0.000000 0.000000\n-1.710143 6.787604 -1.226649\n0.000000 0.006237 8.475327\nTm O\n6 9\ndirect\n0.635163 0.270323 0.486721 Tm\n0.691046 0.382090 0.137325 Tm\n0.308956 0.617910 0.862675 Tm\n0.032603 0.065206 0.814056 Tm\n0.364839 0.729677 0.513280 Tm\n0.967399 0.934794 0.185944 Tm\n0.127523 0.255046 0.281580 O\n0.207199 0.414399 0.623037 O\n0.529735 0.059469 0.656593 O\n0.872479 0.744954 0.718420 O\n0.825470 0.650936 0.031411 O\n0.500000 0.000000 -0.000000 O\n0.174532 0.349063 0.968589 O\n0.792802 0.585601 0.376962 O\n0.470266 0.940530 0.343407 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Tm",
"O"
],
"chemical_system": "O-Tm",
"density": 9.768194522087166,
"density_atomic": 0.07622509871856582,
"volume": 196.78557656425198,
"volume_molar": 7.9004696107178844,
"formula_full": "Tm6 O9",
"formula_reduced": "Tm2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3358438,
"spacegroup": 12
},
{
"id": "jvasp-57790",
"created_at": "2022-09-04T14:37:30.904752Z",
"updated_at": "2022-09-04T14:37:30.904783Z",
"structure_string": "B13 N2\n1.0\n4.673687 0.007467 2.318106\n1.440975 4.446010 2.318106\n0.010253 0.007467 5.216978\nB N\n13 2\ndirect\n0.196456 0.679621 0.196455 B\n0.196455 0.196456 0.679621 B\n0.679621 0.196456 0.196455 B\n0.320379 0.803546 0.803546 B\n0.803545 0.320380 0.803546 B\n0.803546 0.803546 0.320379 B\n0.996110 0.668534 0.996111 B\n0.996111 0.996111 0.668533 B\n0.668533 0.996111 0.996111 B\n0.331468 0.003891 0.003890 B\n0.003891 0.331467 0.003890 B\n0.003890 0.003891 0.331468 B\n0.500000 0.500001 0.500000 B\n0.615248 0.615248 0.615248 N\n0.384753 0.384753 0.384753 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.5871275511035234,
"density_atomic": 0.13864836590782353,
"volume": 108.18735512521171,
"volume_molar": 4.343463206774215,
"formula_full": "B13 N2",
"formula_reduced": "B13N2",
"formula_anonymous": "A2B13",
"energy_above_hull": 5.658276005555556,
"spacegroup": 166
},
{
"id": "jvasp-35164",
"created_at": "2022-09-04T14:37:30.115888Z",
"updated_at": "2022-09-04T14:37:30.115925Z",
"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Mg",
"Si",
"N"
],
"chemical_system": "Ca-Li-Mg-N-Si",
"density": 2.799349534155022,
"density_atomic": 0.0928184852285476,
"volume": 161.6057400965486,
"volume_molar": 6.488083429902612,
"formula_full": "Li4 Ca2 Mg1 Si2 N6",
"formula_reduced": "Li4Ca2Mg(SiN3)2",
"formula_anonymous": "AB2C2D4E6",
"energy_above_hull": 3.091970439333333,
"spacegroup": 12
},
{
"id": "jvasp-34507",
"created_at": "2022-09-04T14:37:18.135450Z",
"updated_at": "2022-09-04T14:37:18.135472Z",
"structure_string": "Sr3 Ge3 O9\n1.0\n3.468107 -6.006938 -0.000000\n3.468107 6.006938 0.000000\n-0.000000 0.000000 5.806321\nSr Ge O\n3 3 9\ndirect\n0.666387 0.000000 0.500000 Sr\n0.333613 0.333613 0.500000 Sr\n0.000000 0.666387 0.500000 Sr\n0.000000 0.273610 0.000000 Ge\n0.726391 0.726391 0.000000 Ge\n0.273610 0.000000 0.000000 Ge\n0.000000 0.751284 0.000000 O\n0.000000 0.362623 0.281000 O\n0.637377 0.637377 0.719000 O\n0.637377 0.637377 0.281000 O\n0.362623 0.000000 0.719000 O\n0.751284 0.000000 0.000000 O\n0.000000 0.362623 0.719000 O\n0.362623 0.000000 0.281000 O\n0.248717 0.248717 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr",
"density": 4.288404938126951,
"density_atomic": 0.062003268496040716,
"volume": 241.92273026635428,
"volume_molar": 9.71261823138332,
"formula_full": "Sr3 Ge3 O9",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1186305519999995,
"spacegroup": 189
},
{
"id": "jvasp-11588",
"created_at": "2022-09-04T14:37:10.522372Z",
"updated_at": "2022-09-04T14:37:10.522394Z",
"structure_string": "Sr4 Ca1 Mn2 S2 O6\n1.0\n3.880405 -0.000000 -0.000000\n0.000000 3.880405 -0.000000\n-0.000000 -0.000000 16.845178\nSr Ca Mn S O\n4 1 2 2 6\ndirect\n0.000000 0.499999 0.796788 Sr\n0.499999 0.000000 0.203212 Sr\n0.000000 0.499999 0.581134 Sr\n0.499999 0.000000 0.418867 Sr\n0.499999 0.499999 0.000000 Ca\n0.499999 0.000000 0.682274 Mn\n0.000000 0.499999 0.317726 Mn\n0.499999 0.000000 0.888341 S\n0.000000 0.499999 0.111659 S\n0.000000 0.000000 0.698446 O\n0.499999 0.499999 0.698625 O\n0.499999 0.499999 0.301375 O\n0.000000 0.000000 0.301554 O\n0.499999 0.000000 0.565313 O\n0.000000 0.499999 0.434687 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"S",
"O"
],
"chemical_system": "Ca-Mn-O-S-Sr",
"density": 4.324460909760258,
"density_atomic": 0.05913730698310537,
"volume": 253.64699147164873,
"volume_molar": 10.183319239951922,
"formula_full": "Sr4 Ca1 Mn2 S2 O6",
"formula_reduced": "Sr4CaMn2(SO3)2",
"formula_anonymous": "AB2C2D4E6",
"energy_above_hull": 1.8251574095172411,
"spacegroup": 115
},
{
"id": "jvasp-9163",
"created_at": "2022-09-04T14:37:06.170171Z",
"updated_at": "2022-09-04T14:37:06.170192Z",
"structure_string": "B13 C2\n1.0\n4.739203 -0.010807 2.131663\n1.374318 4.535572 2.131663\n-0.014602 -0.010807 5.196520\nB C\n13 2\ndirect\n0.500000 0.499999 0.500000 B\n0.803677 0.318263 0.803676 B\n0.803677 0.803676 0.318263 B\n0.318265 0.803676 0.803676 B\n0.681736 0.196323 0.196323 B\n0.196324 0.681735 0.196323 B\n0.196324 0.196323 0.681736 B\n0.007637 0.324622 0.007636 B\n0.007637 0.007636 0.324622 B\n0.324622 0.007636 0.007637 B\n0.675378 0.992362 0.992363 B\n0.992364 0.675376 0.992363 B\n0.992364 0.992362 0.675377 B\n0.618677 0.618675 0.618676 C\n0.381324 0.381323 0.381324 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.4399720298177145,
"density_atomic": 0.13393408616112973,
"volume": 111.99538840287613,
"volume_molar": 4.496346622886612,
"formula_full": "B13 C2",
"formula_reduced": "B13C2",
"formula_anonymous": "A2B13",
"energy_above_hull": 5.813028905555557,
"spacegroup": 166
},
{
"id": "jvasp-12435",
"created_at": "2022-09-04T14:37:17.784860Z",
"updated_at": "2022-09-04T14:37:17.784889Z",
"structure_string": "Li8 Pb1 O6\n1.0\n4.962819 0.010404 3.632939\n1.848588 4.605692 3.632939\n0.015352 0.010404 6.150413\nLi Pb O\n8 1 6\ndirect\n0.350429 0.350428 0.350429 Li\n0.491932 0.100883 0.771474 Li\n0.771474 0.491931 0.100884 Li\n0.100884 0.771473 0.491932 Li\n0.508068 0.899115 0.228527 Li\n0.228527 0.508067 0.899116 Li\n0.649572 0.649570 0.649572 Li\n0.899117 0.228525 0.508068 Li\n0.000000 0.000000 0.000000 Pb\n0.242549 0.900383 0.602844 O\n0.099616 0.397156 0.757452 O\n0.757452 0.099615 0.397157 O\n0.602844 0.242547 0.900385 O\n0.900385 0.602842 0.242549 O\n0.397157 0.757451 0.099616 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb",
"density": 4.252123774632767,
"density_atomic": 0.10707476788014794,
"volume": 140.08902654629108,
"volume_molar": 5.624238911954277,
"formula_full": "Li8 Pb1 O6",
"formula_reduced": "Li8PbO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.5523087880000002,
"spacegroup": 148
},
{
"id": "jvasp-34479",
"created_at": "2022-09-04T14:37:18.146629Z",
"updated_at": "2022-09-04T14:37:18.146649Z",
"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"S",
"I"
],
"chemical_system": "Ba-Fe-I-S",
"density": 4.9299791719266475,
"density_atomic": 0.03127837997708397,
"volume": 479.56447907435467,
"volume_molar": 19.253365309878923,
"formula_full": "Ba4 Fe2 S4 I5",
"formula_reduced": "Ba4Fe2S4I5",
"formula_anonymous": "A2B4C4D5",
"energy_above_hull": 0.8764950836666667,
"spacegroup": 87
},
{
"id": "jvasp-59721",
"created_at": "2022-09-04T14:37:30.105265Z",
"updated_at": "2022-09-04T14:37:30.105292Z",
"structure_string": "U1 Mo6 S8\n1.0\n6.469720 0.004213 0.134172\n0.131505 6.468385 0.134171\n0.004297 0.004213 6.471109\nU Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 U\n0.437733 0.776651 0.578940 Mo\n0.776652 0.578939 0.437733 Mo\n0.578941 0.437732 0.776652 Mo\n0.562267 0.223347 0.421059 Mo\n0.223348 0.421059 0.562267 Mo\n0.421059 0.562266 0.223348 Mo\n0.760668 0.760667 0.760668 S\n0.239332 0.239332 0.239332 S\n0.241271 0.632782 0.873952 S\n0.632783 0.873951 0.241271 S\n0.873953 0.241270 0.632783 S\n0.758729 0.367216 0.126047 S\n0.367217 0.126047 0.758729 S\n0.126047 0.758728 0.367217 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"U",
"Mo",
"S"
],
"chemical_system": "Mo-S-U",
"density": 6.562464303577293,
"density_atomic": 0.05539220703886074,
"volume": 270.7962148804914,
"volume_molar": 10.87181948857017,
"formula_full": "U1 Mo6 S8",
"formula_reduced": "U(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.664817426666667,
"spacegroup": 148
},
{
"id": "jvasp-9123",
"created_at": "2022-09-04T14:37:29.485602Z",
"updated_at": "2022-09-04T14:37:29.485628Z",
"structure_string": "Tb6 O9\n1.0\n3.525911 0.000000 0.000000\n-1.762955 6.913566 -1.237760\n0.000000 0.014040 8.690921\nTb O\n6 9\ndirect\n0.033158 0.066318 0.812969 Tb\n0.966840 0.933683 0.187031 Tb\n0.309465 0.618931 0.862585 Tb\n0.690534 0.381069 0.137415 Tb\n0.364979 0.729959 0.512691 Tb\n0.635020 0.270041 0.487309 Tb\n0.500000 0.000000 0.000000 O\n0.528339 0.056679 0.656116 O\n0.471660 0.943321 0.343885 O\n0.205569 0.411138 0.624368 O\n0.794430 0.588863 0.375632 O\n0.174890 0.349781 0.970191 O\n0.128198 0.256398 0.283034 O\n0.871801 0.743603 0.716966 O\n0.825108 0.650220 0.029809 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 8.600174315765488,
"density_atomic": 0.0707825830663622,
"volume": 211.9165386481693,
"volume_molar": 8.507941500741705,
"formula_full": "Tb6 O9",
"formula_reduced": "Tb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3914574599999998,
"spacegroup": 12
}
]
}