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=created_at&page=288",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=286",
"results": [
{
"id": "jvasp-14615",
"created_at": "2022-09-04T14:35:50.156379Z",
"updated_at": "2022-09-04T14:35:50.156432Z",
"structure_string": "Al1\n1.0\n2.490770 -0.000000 1.438047\n0.830257 2.348321 1.438047\n-0.000000 -0.000000 2.876094\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.663309539467775,
"density_atomic": 0.05944370029242287,
"volume": 16.822640499845654,
"volume_molar": 10.13083090449473,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy_above_hull": 2.8000000003025605e-06,
"spacegroup": 225
},
{
"id": "jvasp-70519",
"created_at": "2022-09-04T14:35:50.157260Z",
"updated_at": "2022-09-04T14:35:50.157291Z",
"structure_string": "Mn1 Be2 Ga1\n1.0\n-1.640578 1.640578 3.787696\n1.640578 -1.640578 3.787696\n1.640578 1.640578 -3.787696\nMn Be Ga\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 5.810316480227393,
"density_atomic": 0.09809144175679267,
"volume": 40.77827717037309,
"volume_molar": 6.13931312675703,
"formula_full": "Mn1 Be2 Ga1",
"formula_reduced": "MnBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8500204415948271,
"spacegroup": 119
},
{
"id": "jvasp-66418",
"created_at": "2022-09-04T14:35:50.162431Z",
"updated_at": "2022-09-04T14:35:50.162459Z",
"structure_string": "Ba4 Sn1 Mo1\n1.0\n0.000000 4.947610 4.947610\n4.947610 0.000000 4.947610\n4.947610 4.947610 0.000000\nBa Sn Mo\n4 1 1\ndirect\n0.123253 0.625582 0.625582 Ba\n0.625582 0.625582 0.625582 Ba\n0.625582 0.123253 0.625582 Ba\n0.625582 0.625582 0.123253 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Mo"
],
"chemical_system": "Ba-Mo-Sn",
"density": 5.237236777705549,
"density_atomic": 0.024770506032811477,
"volume": 242.22355377206617,
"volume_molar": 24.31173893671352,
"formula_full": "Ba4 Sn1 Mo1",
"formula_reduced": "Ba4SnMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.14724858,
"spacegroup": 216
},
{
"id": "jvasp-91951",
"created_at": "2022-09-04T14:35:50.164837Z",
"updated_at": "2022-09-04T14:35:50.164863Z",
"structure_string": "K1 Mg3 O4\n1.0\n4.515680 -0.000000 0.000000\n-0.000000 4.515680 0.000000\n-0.000000 -0.000000 4.515680\nK Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"O"
],
"chemical_system": "K-Mg-O",
"density": 3.1740896273256847,
"density_atomic": 0.08688013993322863,
"volume": 92.08088299752241,
"volume_molar": 6.931550483952133,
"formula_full": "K1 Mg3 O4",
"formula_reduced": "KMg3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6373586437499998,
"spacegroup": 221
},
{
"id": "jvasp-90015",
"created_at": "2022-09-04T14:35:50.166614Z",
"updated_at": "2022-09-04T14:35:50.166650Z",
"structure_string": "Pu3 Al3 Ni3\n1.0\n0.000000 0.000000 -4.593435\n-3.339806 -5.784714 0.000000\n-2.490196 5.294191 0.000000\nPu Al Ni\n3 3 3\ndirect\n0.499999 0.604059 0.000001 Pu\n0.499999 0.428355 0.515058 Pu\n0.499999 0.913298 0.484944 Pu\n0.000000 0.231203 1.000001 Al\n0.000000 0.752347 0.731363 Al\n0.000000 0.020984 0.268639 Al\n0.000000 0.371654 0.716104 Ni\n0.000000 0.655551 0.283898 Ni\n0.499999 0.022457 1.000001 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pu",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pu",
"density": 11.142802552476882,
"density_atomic": 0.06106335447279214,
"volume": 147.38790683387873,
"volume_molar": 9.86211912528204,
"formula_full": "Pu3 Al3 Ni3",
"formula_reduced": "PuAlNi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1578783999999995,
"spacegroup": 38
},
{
"id": "jvasp-15832",
"created_at": "2022-09-04T14:35:50.169659Z",
"updated_at": "2022-09-04T14:35:50.169688Z",
"structure_string": "Ni2 S4\n1.0\n4.535841 0.000000 -2.062948\n-0.938250 4.437738 -2.062949\n-0.156763 -0.193372 5.673312\nNi S\n2 4\ndirect\n0.250000 0.750001 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.861610 0.875001 0.250000 S\n0.625000 0.138391 0.750000 S\n0.388391 0.375000 0.250000 S\n0.125001 0.611610 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 3.6888361028150927,
"density_atomic": 0.054260076482329694,
"volume": 110.57853930511794,
"volume_molar": 11.09865881217688,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4334141333333332,
"spacegroup": 122
},
{
"id": "jvasp-91984",
"created_at": "2022-09-04T14:35:50.172986Z",
"updated_at": "2022-09-04T14:35:50.173015Z",
"structure_string": "Li2 Zn2 O4\n1.0\n-2.080644 2.080644 4.245044\n2.080644 -2.080644 4.245044\n2.080644 2.080644 -4.245044\nLi Zn O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.250000 0.499999 Li\n0.500000 0.500000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n0.485097 0.985096 0.499999 O\n0.264902 0.264902 0.000000 O\n0.735097 0.735097 0.000000 O\n0.014902 0.514901 0.499999 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Zn",
"density": 4.714425834813881,
"density_atomic": 0.10883090553850548,
"volume": 73.5085310594013,
"volume_molar": 5.533484013756833,
"formula_full": "Li2 Zn2 O4",
"formula_reduced": "LiZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6125893499999999,
"spacegroup": 141
},
{
"id": "jvasp-42818",
"created_at": "2022-09-04T14:35:50.174514Z",
"updated_at": "2022-09-04T14:35:50.174538Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.659761 4.283848 0.108421\n-2.659761 4.283848 -0.108421\n-1.355362 0.000000 9.574452\nLi Mn O F\n8 4 8 4\ndirect\n0.592158 0.592157 0.750000 Li\n0.909791 0.909790 0.750000 Li\n0.226626 0.226625 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.090210 0.090210 0.250000 Li\n0.407843 0.407843 0.250000 Li\n0.773375 0.773375 0.250000 Li\n0.500000 0.000000 0.500000 Li\n0.863064 0.313153 0.500026 Mn\n0.686847 0.136937 0.000026 Mn\n0.136937 0.686847 0.499974 Mn\n0.313153 0.863064 -0.000026 Mn\n0.204472 0.935388 0.617913 O\n0.593707 0.894938 0.880839 O\n0.064613 0.795528 0.117913 O\n0.105062 0.406294 0.380839 O\n0.894939 0.593706 0.619161 O\n0.935388 0.204472 0.882087 O\n0.406294 0.105062 0.119161 O\n0.795529 0.064612 0.382087 O\n0.562285 0.276673 0.626270 F\n0.276673 0.562284 0.873730 F\n0.437716 0.723327 0.373730 F\n0.723328 0.437716 0.126270 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.626677647211455,
"density_atomic": 0.10936837701569198,
"volume": 219.44185929134272,
"volume_molar": 5.506290688702416,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.523782420646552,
"spacegroup": 15
},
{
"id": "jvasp-71839",
"created_at": "2022-09-04T14:35:50.175554Z",
"updated_at": "2022-09-04T14:35:50.175590Z",
"structure_string": "Sr2 Be2 Bi1\n1.0\n-1.833540 1.833540 9.980232\n1.833540 -1.833540 9.980232\n1.833540 1.833540 -9.980232\nSr Be Bi\n2 2 1\ndirect\n0.616260 0.616260 0.000000 Sr\n0.383740 0.383740 0.000000 Sr\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Sr",
"density": 4.976890562213679,
"density_atomic": 0.037255345756500434,
"volume": 134.20892756384052,
"volume_molar": 16.164501060761832,
"formula_full": "Sr2 Be2 Bi1",
"formula_reduced": "Sr2Be2Bi",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7649618239999999,
"spacegroup": 139
},
{
"id": "jvasp-90285",
"created_at": "2022-09-04T14:35:50.177287Z",
"updated_at": "2022-09-04T14:35:50.177314Z",
"structure_string": "Ge1 N2 F6\n1.0\n-3.766299 -3.766299 0.000000\n-3.766299 0.000000 -3.766299\n-0.000000 -3.766299 -3.766299\nGe N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.757299 0.242701 0.242701 F\n0.757299 0.242701 0.757299 F\n0.757299 0.757299 0.242701 F\n0.242701 0.757299 0.757299 F\n0.242701 0.757299 0.242701 F\n0.242701 0.242701 0.757299 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"N",
"F"
],
"chemical_system": "F-Ge-N",
"density": 3.33574700063447,
"density_atomic": 0.08423025761209349,
"volume": 106.84996407642247,
"volume_molar": 7.1496169318795495,
"formula_full": "Ge1 N2 F6",
"formula_reduced": "Ge(NF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.320584905,
"spacegroup": 225
},
{
"id": "jvasp-14811",
"created_at": "2022-09-04T14:35:50.183324Z",
"updated_at": "2022-09-04T14:35:50.183349Z",
"structure_string": "Sm2\n1.0\n1.806861 -3.129575 0.000000\n1.806861 3.129575 -0.000000\n-0.000000 0.000000 5.804730\nSm\n2\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.606577295690438,
"density_atomic": 0.03046546900259256,
"volume": 65.64809489162315,
"volume_molar": 19.767103403159577,
"formula_full": "Sm2",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy_above_hull": 0.0257,
"spacegroup": 194
},
{
"id": "jvasp-92214",
"created_at": "2022-09-04T14:35:50.184654Z",
"updated_at": "2022-09-04T14:35:50.184680Z",
"structure_string": "Ce2 Ni2 Ge4\n1.0\n4.242996 -0.000000 -0.000000\n-0.000000 4.099963 -1.037324\n0.000000 -0.016018 8.557781\nCe Ni Ge\n2 2 4\ndirect\n0.250000 0.891866 0.783735 Ce\n0.750001 0.108133 0.216265 Ce\n0.250000 0.681704 0.363410 Ni\n0.750001 0.318295 0.636590 Ni\n0.750001 0.458011 0.916024 Ge\n0.250000 0.541988 0.083976 Ge\n0.750001 0.750099 0.500200 Ge\n0.250000 0.249900 0.499800 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.679666759091494,
"density_atomic": 0.0537628119077476,
"volume": 148.80174075952942,
"volume_molar": 11.201312852336445,
"formula_full": "Ce2 Ni2 Ge4",
"formula_reduced": "CeNiGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02452745,
"spacegroup": 63
}
]
}