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=-elements&page=486",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=484",
"results": [
{
"id": "jvasp-21497",
"created_at": "2022-09-04T14:38:31.085995Z",
"updated_at": "2022-09-04T14:38:31.086020Z",
"structure_string": "Li2 Ca1 Si1 O4\n1.0\n4.307840 -0.012569 -2.194060\n-2.686368 3.994473 -0.446270\n-0.008453 0.012569 4.834389\nLi Ca Si O\n2 1 1 4\ndirect\n0.499999 0.749999 0.250000 Li\n0.500000 0.250000 0.750000 Li\n-0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.383935 0.334696 0.334697 O\n0.616064 0.950761 0.950761 O\n-0.000001 0.665303 0.049238 O\n0.000001 0.049239 0.665304 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-Li-O-Si",
"density": 2.920090988046601,
"density_atomic": 0.09632881782488144,
"volume": 83.04887551452568,
"volume_molar": 6.251650228852387,
"formula_full": "Li2 Ca1 Si1 O4",
"formula_reduced": "Li2CaSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6358516274999997,
"spacegroup": 121
},
{
"id": "jvasp-56743",
"created_at": "2022-09-04T14:38:34.461451Z",
"updated_at": "2022-09-04T14:38:34.461478Z",
"structure_string": "Li4 Ca3 Si2 N6\n1.0\n5.658706 -0.004433 -0.030909\n-2.693745 4.976416 -0.030909\n-0.008666 -0.014531 5.971305\nLi Ca Si N\n4 3 2 6\ndirect\n0.036335 0.683512 0.124957 Li\n0.683512 0.036336 0.124957 Li\n0.963664 0.316489 0.875043 Li\n0.316487 0.963665 0.875043 Li\n0.314887 0.685113 0.500000 Ca\n0.685112 0.314889 0.500000 Ca\n0.500000 0.500001 -0.000000 Ca\n0.882329 0.882330 0.670819 Si\n0.117671 0.117671 0.329181 Si\n0.363927 0.064004 0.208142 N\n0.805213 0.805214 0.366884 N\n0.194787 0.194787 0.633116 N\n0.636073 0.935998 0.791859 N\n0.935997 0.636075 0.791859 N\n0.064003 0.363927 0.208142 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-Li-N-Si",
"density": 2.8474179474955625,
"density_atomic": 0.08924533822113101,
"volume": 168.07600597392755,
"volume_molar": 6.74784910902395,
"formula_full": "Li4 Ca3 Si2 N6",
"formula_reduced": "Li4Ca3(SiN3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 3.1250171973333334,
"spacegroup": 12
},
{
"id": "jvasp-24348",
"created_at": "2022-09-04T14:38:27.610641Z",
"updated_at": "2022-09-04T14:38:27.610671Z",
"structure_string": "Li2 Ca2 Ni2 F12\n1.0\n2.531000 -4.383820 -0.000000\n2.531000 4.383820 -0.000000\n0.000000 -0.000000 9.789304\nLi Ca Ni F\n2 2 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.016886 0.368560 0.359701 F\n0.368560 0.016886 0.859701 F\n0.631440 0.648326 0.359701 F\n0.016886 0.648325 0.140299 F\n0.631440 0.983114 0.140299 F\n0.368560 0.351675 0.640298 F\n0.648325 0.016886 0.640298 F\n0.648326 0.631440 0.859701 F\n0.983114 0.631440 0.640298 F\n0.351675 0.368560 0.140299 F\n0.351675 0.983114 0.359701 F\n0.983114 0.351675 0.859701 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ni",
"F"
],
"chemical_system": "Ca-F-Li-Ni",
"density": 3.358830227850351,
"density_atomic": 0.08286017289869643,
"volume": 217.23343519939937,
"volume_molar": 7.26783513638401,
"formula_full": "Li2 Ca2 Ni2 F12",
"formula_reduced": "LiCaNiF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-22748",
"created_at": "2022-09-04T14:37:31.683796Z",
"updated_at": "2022-09-04T14:37:31.683824Z",
"structure_string": "Li2 Ca1 Hf1 F8\n1.0\n5.105146 -0.000045 0.000029\n-0.000297 5.105133 0.000039\n-2.552353 -2.552499 5.275470\nLi Ca Hf F\n2 1 1 8\ndirect\n0.250021 0.750002 0.500016 Li\n0.500005 0.500005 0.999986 Li\n0.000017 0.000006 0.000003 Ca\n0.749996 0.250000 0.499999 Hf\n0.995198 0.394706 0.359981 F\n0.735336 0.875904 0.178019 F\n0.034718 0.004801 0.640013 F\n0.605303 0.635208 0.640051 F\n0.364780 0.965262 0.359961 F\n0.697839 0.264615 0.821954 F\n0.442693 0.302180 0.178052 F\n0.124100 0.557303 0.821968 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Hf",
"F"
],
"chemical_system": "Ca-F-Hf-Li",
"density": 4.642964336209061,
"density_atomic": 0.08727745262130049,
"volume": 137.4925555179568,
"volume_molar": 6.899996023177088,
"formula_full": "Li2 Ca1 Hf1 F8",
"formula_reduced": "Li2CaHfF8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 0.2177004733333336,
"spacegroup": 82
},
{
"id": "jvasp-87005",
"created_at": "2022-09-04T14:36:15.864999Z",
"updated_at": "2022-09-04T14:36:15.865024Z",
"structure_string": "Li2 Ca1 Ge1 O4\n1.0\n4.394985 -0.013218 -2.233245\n-2.737123 4.073933 -0.463339\n-0.008880 0.013218 4.929828\nLi Ca Ge O\n2 1 1 4\ndirect\n0.500001 0.749999 0.250001 Li\n0.500001 0.250000 0.750001 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ge\n0.408016 0.353896 0.353897 O\n0.591985 0.945881 0.945883 O\n0.000000 0.646104 0.054118 O\n0.000000 0.054119 0.646104 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-Li-O",
"density": 3.5917778954276787,
"density_atomic": 0.0907889378350912,
"volume": 88.11646210170649,
"volume_molar": 6.633121725621025,
"formula_full": "Li2 Ca1 Ge1 O4",
"formula_reduced": "Li2CaGeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.3520800462499998,
"spacegroup": 121
},
{
"id": "jvasp-54828",
"created_at": "2022-09-04T14:37:31.217496Z",
"updated_at": "2022-09-04T14:37:31.217513Z",
"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n0.000000 5.794493 -0.005911\n6.931587 0.000000 0.000000\n0.000000 -0.001405 -5.907588\nLi Ca Ga N\n4 4 4 8\ndirect\n0.632941 0.105177 0.588925 Li\n0.367058 0.894823 0.411075 Li\n0.632942 0.394823 0.088925 Li\n0.367057 0.605177 0.911075 Li\n0.021610 0.626998 0.243159 Ca\n0.978389 0.373003 0.756841 Ca\n0.021609 0.873003 0.743159 Ca\n0.978390 0.126998 0.256841 Ca\n0.623940 0.859534 0.080070 Ga\n0.623939 0.640466 0.580070 Ga\n0.376059 0.140466 0.919930 Ga\n0.376059 0.359534 0.419930 Ga\n0.259954 0.135627 0.595658 N\n0.740044 0.635627 0.904342 N\n0.722842 0.111994 0.928265 N\n0.740045 0.864374 0.404342 N\n0.722842 0.388006 0.428265 N\n0.277157 0.888006 0.071735 N\n0.277157 0.611994 0.571735 N\n0.259954 0.364374 0.095658 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ga",
"N"
],
"chemical_system": "Ca-Ga-Li-N",
"density": 4.052149281660943,
"density_atomic": 0.08428912967367055,
"volume": 237.27852069929978,
"volume_molar": 7.144623254878784,
"formula_full": "Li4 Ca4 Ga4 N8",
"formula_reduced": "LiCaGaN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.982451849,
"spacegroup": 14
},
{
"id": "jvasp-21829",
"created_at": "2022-09-04T14:37:32.783963Z",
"updated_at": "2022-09-04T14:37:32.783996Z",
"structure_string": "Li2 Ca2 Ga2 F12\n1.0\n2.557848 -4.430322 0.000000\n2.557848 4.430322 0.000000\n-0.000000 -0.000000 9.803389\nLi Ca Ga F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.985647 0.350947 0.639749 F\n0.350947 0.985647 0.139749 F\n0.365300 0.014354 0.639749 F\n0.365300 0.350947 0.860251 F\n0.649053 0.014354 0.860251 F\n0.634701 0.985647 0.360251 F\n0.350947 0.365300 0.360251 F\n0.014354 0.365300 0.139749 F\n0.014354 0.649053 0.360251 F\n0.985647 0.634701 0.860251 F\n0.649054 0.634700 0.639749 F\n0.634700 0.649054 0.139749 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ga",
"F"
],
"chemical_system": "Ca-F-Ga-Li",
"density": 3.4488273661479893,
"density_atomic": 0.08101328604608424,
"volume": 222.18577814212767,
"volume_molar": 7.4335223935668004,
"formula_full": "Li2 Ca2 Ga2 F12",
"formula_reduced": "LiCaGaF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-119637",
"created_at": "2022-09-04T14:38:52.079800Z",
"updated_at": "2022-09-04T14:38:52.079826Z",
"structure_string": "Li2 Ca4 Fe2 N4\n1.0\n5.193449 -0.000000 0.000000\n0.000000 5.193449 0.000000\n-0.000000 -0.000000 6.764658\nLi Ca Fe N\n2 4 2 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.250000 Ca\n-0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.236814 0.236814 -0.000000 N\n0.763187 0.763187 -0.000000 N\n0.263187 0.736814 0.500000 N\n0.736814 0.263187 0.500000 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-Li-N",
"density": 3.1117473569968297,
"density_atomic": 0.0657693665126769,
"volume": 182.45576377396043,
"volume_molar": 9.156452432667487,
"formula_full": "Li2 Ca4 Fe2 N4",
"formula_reduced": "LiCa2FeN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.382740473333333,
"spacegroup": 136
},
{
"id": "jvasp-57322",
"created_at": "2022-09-04T14:37:26.941087Z",
"updated_at": "2022-09-04T14:37:26.941123Z",
"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F-Li",
"density": 3.179961238501137,
"density_atomic": 0.08091413237236955,
"volume": 222.4580487023379,
"volume_molar": 7.442631569335633,
"formula_full": "Li2 Ca2 Cr2 F12",
"formula_reduced": "LiCaCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1752277238888892,
"spacegroup": 163
},
{
"id": "jvasp-34490",
"created_at": "2022-09-04T14:37:19.866707Z",
"updated_at": "2022-09-04T14:37:19.866733Z",
"structure_string": "Li2 Ca2 Co2 F12\n1.0\n2.518320 -4.361858 -0.000000\n2.518320 4.361858 -0.000000\n0.000000 -0.000000 9.754874\nLi Ca Co F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.371084 0.021583 0.641292 F\n0.978417 0.349501 0.641292 F\n0.371084 0.349501 0.858707 F\n0.628916 0.978417 0.358707 F\n0.978417 0.628916 0.858707 F\n0.628916 0.650499 0.141292 F\n0.021583 0.371084 0.141292 F\n0.349501 0.371084 0.358707 F\n0.021583 0.650499 0.358707 F\n0.650499 0.628916 0.641292 F\n0.349501 0.978417 0.141292 F\n0.650499 0.021583 0.858707 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Co",
"F"
],
"chemical_system": "Ca-Co-F-Li",
"density": 3.4084299938061244,
"density_atomic": 0.08399209379025284,
"volume": 214.30588508663746,
"volume_molar": 7.169890031600642,
"formula_full": "Li2 Ca2 Co2 F12",
"formula_reduced": "LiCaCoF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0216747794444444,
"spacegroup": 163
},
{
"id": "jvasp-25640",
"created_at": "2022-09-04T14:37:42.836274Z",
"updated_at": "2022-09-04T14:37:42.836306Z",
"structure_string": "Li8 Ca2 B4 O12\n1.0\n3.454391 0.000000 0.000000\n0.000000 8.114311 0.000000\n0.000000 -0.000000 9.268582\nLi Ca B O\n8 2 4 12\ndirect\n0.500000 0.831130 0.952293 Li\n0.000000 0.331130 0.547706 Li\n0.500000 0.485970 0.697134 Li\n0.000000 0.014030 0.197134 Li\n0.500000 0.514030 0.302866 Li\n0.000000 0.668870 0.452293 Li\n0.500000 0.168870 0.047706 Li\n0.000000 0.985970 0.802866 Li\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.271721 0.289791 B\n0.500000 0.228279 0.789791 B\n0.500000 0.771721 0.210209 B\n0.000000 0.728279 0.710209 B\n0.000000 0.427349 0.350719 O\n0.000000 0.572650 0.649281 O\n0.000000 0.247252 0.141065 O\n0.500000 0.366007 0.879719 O\n0.500000 0.747252 0.358935 O\n0.500000 0.252748 0.641065 O\n0.000000 0.866007 0.620281 O\n0.000000 0.133993 0.379719 O\n0.500000 0.927349 0.149281 O\n0.000000 0.752748 0.858935 O\n0.500000 0.072651 0.850719 O\n0.500000 0.633993 0.120281 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-Li-O",
"density": 2.3707941459819666,
"density_atomic": 0.10007760624115822,
"volume": 259.79838024250387,
"volume_molar": 6.017470827078312,
"formula_full": "Li8 Ca2 B4 O12",
"formula_reduced": "Li4Ca(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.2301566605128205,
"spacegroup": 58
},
{
"id": "jvasp-10004",
"created_at": "2022-09-04T14:37:00.787652Z",
"updated_at": "2022-09-04T14:37:00.787678Z",
"structure_string": "Li1 Ca4 B3 N6\n1.0\n5.794511 -0.000000 -2.048669\n-2.897255 5.018194 -2.048669\n-0.000000 -0.000000 6.146007\nLi Ca B N\n1 4 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Ca\n0.500000 0.500000 -0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.000000 0.311708 0.311708 N\n0.000000 0.688292 0.688292 N\n0.311708 0.311708 -0.000000 N\n0.688292 0.000000 0.688292 N\n0.311708 0.000000 0.311708 N\n0.688292 0.688292 -0.000000 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ca",
"B",
"N"
],
"chemical_system": "B-Ca-Li-N",
"density": 2.6362782701435346,
"density_atomic": 0.07833768740126264,
"volume": 178.7134706733039,
"volume_molar": 7.6874119721626295,
"formula_full": "Li1 Ca4 B3 N6",
"formula_reduced": "LiCa4(BN2)3",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 3.7260592092857134,
"spacegroup": 229
}
]
}