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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=846",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=844",
"results": [
{
"id": "jvasp-119231",
"created_at": "2022-09-04T14:38:26.570996Z",
"updated_at": "2022-09-04T14:38:26.571017Z",
"structure_string": "Mg9 Mn2 N8\n1.0\n7.816005 -0.027339 2.464317\n1.199044 4.132771 0.000000\n0.028606 -0.008299 7.076869\nMg Mn N\n9 2 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.077792 0.961104 0.787376 Mg\n0.922208 0.038895 0.212625 Mg\n0.661571 0.669215 0.428294 Mg\n0.338430 0.330784 0.571707 Mg\n0.811452 0.594274 0.952917 Mg\n0.188548 0.405726 0.047083 Mg\n0.341500 0.829249 0.254446 Mg\n0.658501 0.170750 0.745554 Mg\n0.582582 0.208709 0.202827 Mn\n0.417418 0.791290 0.797173 Mn\n0.219576 0.890211 0.015959 N\n0.780425 0.109788 0.984041 N\n0.358065 0.820967 0.580531 N\n0.641935 0.179032 0.419470 N\n0.656062 0.671968 0.740231 N\n0.343939 0.328031 0.259769 N\n0.931551 0.534224 0.252694 N\n0.068450 0.465775 0.747307 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"N"
],
"chemical_system": "Mg-Mn-N",
"density": 3.2022796510169647,
"density_atomic": 0.08314682142091513,
"volume": 228.51144127105084,
"volume_molar": 7.242779287393375,
"formula_full": "Mg9 Mn2 N8",
"formula_reduced": "Mg9(MnN4)2",
"formula_anonymous": "A2B8C9",
"energy_above_hull": 2.751096417513612,
"spacegroup": 12
},
{
"id": "jvasp-8276",
"created_at": "2022-09-04T14:36:34.774940Z",
"updated_at": "2022-09-04T14:36:34.774955Z",
"structure_string": "Mg1 Mn2 N2\n1.0\n3.606809 0.000000 0.000000\n0.000000 3.606827 0.000000\n0.000000 0.000000 5.018045\nMg Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.749998 Mg\n0.500000 0.500000 0.005983 Mn\n0.500000 0.500000 0.494018 Mn\n0.000000 0.500000 0.497021 N\n0.500000 0.000000 0.002979 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"N"
],
"chemical_system": "Mg-Mn-N",
"density": 4.125743133935216,
"density_atomic": 0.07659263240307233,
"volume": 65.2804302858696,
"volume_molar": 7.862558801097475,
"formula_full": "Mg1 Mn2 N2",
"formula_reduced": "Mg(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.815868006551723,
"spacegroup": 115
},
{
"id": "jvasp-112396",
"created_at": "2022-09-04T14:38:40.855908Z",
"updated_at": "2022-09-04T14:38:40.855934Z",
"structure_string": "Mg2 Mn3 Mo1 S8\n1.0\n6.309117 0.001793 3.736752\n2.127145 5.939524 3.737709\n-0.001357 -0.001606 7.332504\nMg Mn Mo S\n2 3 1 8\ndirect\n0.870143 0.870156 0.870113 Mg\n0.129856 0.129841 0.129889 Mg\n0.499999 0.499998 0.999999 Mn\n0.000001 0.500002 0.499999 Mn\n0.499999 -0.000001 0.500002 Mn\n0.500003 0.499997 0.500000 Mo\n0.735036 0.735034 0.734955 S\n0.260875 0.260846 0.720767 S\n0.260833 0.720740 0.260790 S\n0.720745 0.260826 0.260817 S\n0.739171 0.279258 0.739208 S\n0.279254 0.739170 0.739182 S\n0.264963 0.264963 0.265047 S\n0.739124 0.739152 0.279235 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Mo",
"S"
],
"chemical_system": "Mg-Mn-Mo-S",
"density": 3.419487471391793,
"density_atomic": 0.05094627514456102,
"volume": 274.7992853309635,
"volume_molar": 11.820571264360467,
"formula_full": "Mg2 Mn3 Mo1 S8",
"formula_reduced": "Mg2Mn3MoS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.779776123152709,
"spacegroup": 166
},
{
"id": "jvasp-91602",
"created_at": "2022-09-04T14:36:17.882303Z",
"updated_at": "2022-09-04T14:36:17.882330Z",
"structure_string": "Mg6 Mn2\n1.0\n0.000000 -4.680200 0.000000\n-0.032518 0.000000 -4.722505\n8.317337 0.000000 2.369383\nMg Mn\n6 2\ndirect\n0.750000 0.433132 0.366982 Mg\n0.250000 0.566870 0.633018 Mg\n0.750000 0.060121 0.615664 Mg\n0.250000 0.939881 0.384336 Mg\n0.750000 0.244487 0.994885 Mg\n0.250000 0.755515 0.005116 Mg\n0.750000 0.847020 0.197524 Mn\n0.250000 0.152981 0.802476 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.3143112399598382,
"density_atomic": 0.04360352326158411,
"volume": 183.47141243625646,
"volume_molar": 13.811133389089385,
"formula_full": "Mg6 Mn2",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7193810344827588,
"spacegroup": 63
},
{
"id": "jvasp-91881",
"created_at": "2022-09-04T14:36:13.449012Z",
"updated_at": "2022-09-04T14:36:13.449037Z",
"structure_string": "Mg7 Mn1\n1.0\n6.272723 0.000000 0.000000\n-3.136361 5.432337 0.000000\n-0.000000 -0.000000 4.967297\nMg Mn\n7 1\ndirect\n0.167337 0.833669 0.250000 Mg\n0.666332 0.332663 0.250000 Mg\n0.666332 0.833669 0.250000 Mg\n0.327462 0.172538 0.750001 Mg\n0.327463 0.654927 0.750001 Mg\n0.845073 0.172538 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.2080537575020904,
"density_atomic": 0.04726362692758603,
"volume": 169.2633536621519,
"volume_molar": 12.741596765789252,
"formula_full": "Mg7 Mn1",
"formula_reduced": "Mg7Mn",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-37198",
"created_at": "2022-09-04T14:38:04.520019Z",
"updated_at": "2022-09-04T14:38:04.520045Z",
"structure_string": "Mg3 Mn1\n1.0\n4.260202 0.000000 0.000000\n0.000000 4.260202 0.000000\n-0.000000 -0.000000 4.260202\nMg Mn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.745804405696407,
"density_atomic": 0.05173320865763116,
"volume": 77.31977396708334,
"volume_molar": 11.640764059028989,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6767560344827588,
"spacegroup": 221
},
{
"id": "jvasp-79182",
"created_at": "2022-09-04T14:36:34.965211Z",
"updated_at": "2022-09-04T14:36:34.965238Z",
"structure_string": "Mg3 Mn1\n1.0\n6.083047 -0.073348 0.000000\n-1.552521 2.689047 0.000000\n0.000000 0.000000 4.850114\nMg Mn\n3 1\ndirect\n0.669148 0.669148 0.250000 Mg\n0.318947 0.318946 0.749999 Mg\n0.840090 0.340089 0.749999 Mg\n0.171816 0.671816 0.250000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.6947755534050364,
"density_atomic": 0.05077178319787436,
"volume": 78.7839179177671,
"volume_molar": 11.86119608312699,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6807610344827588,
"spacegroup": 25
},
{
"id": "jvasp-37197",
"created_at": "2022-09-04T14:38:00.418568Z",
"updated_at": "2022-09-04T14:38:00.418584Z",
"structure_string": "Mg3 Mn1\n1.0\n0.000000 3.373119 3.373119\n3.373119 0.000000 3.373119\n3.373119 3.373119 0.000000\nMg Mn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.7658918136832873,
"density_atomic": 0.052111671911102664,
"volume": 76.75823579069969,
"volume_molar": 11.556222510521586,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6756935344827588,
"spacegroup": 225
},
{
"id": "jvasp-25377",
"created_at": "2022-09-04T14:37:56.889274Z",
"updated_at": "2022-09-04T14:37:56.889284Z",
"structure_string": "Mg4\n1.0\n3.189961 0.000000 -0.000000\n-1.594981 2.762587 0.000000\n-0.000000 -0.000000 10.405701\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666669 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333332 0.750000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7604838051691125,
"density_atomic": 0.043620165744055105,
"volume": 91.7007061245555,
"volume_molar": 13.805864001836683,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0068799999999999,
"spacegroup": 194
},
{
"id": "jvasp-14597",
"created_at": "2022-09-04T14:36:39.245053Z",
"updated_at": "2022-09-04T14:36:39.245086Z",
"structure_string": "Mg1\n1.0\n2.905405 0.000000 -1.027216\n-1.452703 2.516155 -1.027216\n0.000000 -0.000000 3.081648\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7915033401212823,
"density_atomic": 0.04438874836432362,
"volume": 22.52823151922269,
"volume_molar": 13.566818128262769,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0322799999999998,
"spacegroup": 229
},
{
"id": "jvasp-78340",
"created_at": "2022-09-04T14:36:34.096277Z",
"updated_at": "2022-09-04T14:36:34.096298Z",
"structure_string": "Mg1\n1.0\n-2.249746 -2.249746 0.000000\n-2.249746 0.000000 -2.249746\n0.000000 -2.249746 -2.249746\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.772206243487946,
"density_atomic": 0.0439106169830217,
"volume": 22.773535620933224,
"volume_molar": 13.714543711213388,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0130999999999998,
"spacegroup": 225
},
{
"id": "jvasp-14840",
"created_at": "2022-09-04T14:35:41.480343Z",
"updated_at": "2022-09-04T14:35:41.480364Z",
"structure_string": "Mg2\n1.0\n1.589411 -2.752940 -0.000000\n1.589411 2.752940 0.000000\n0.000000 0.000000 5.170851\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7838147012331236,
"density_atomic": 0.04419824408268074,
"volume": 45.250666435043016,
"volume_molar": 13.625294137781822,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}