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=energy_above_hull&page=989",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=987",
"results": [
{
"id": "jvasp-25118",
"created_at": "2022-09-04T14:37:47.943322Z",
"updated_at": "2022-09-04T14:37:47.943342Z",
"structure_string": "Np1\n1.0\n2.697822 -0.000000 -0.953825\n-1.348911 2.336383 -0.953825\n-0.000000 -0.000000 2.861473\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 21.819784730768987,
"density_atomic": 0.05544380381729924,
"volume": 18.036280542641737,
"volume_molar": 10.861702021463772,
"formula_full": "Np1",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy_above_hull": 0.4021299999999996,
"spacegroup": 229
},
{
"id": "jvasp-63980",
"created_at": "2022-09-04T14:36:03.581927Z",
"updated_at": "2022-09-04T14:36:03.581952Z",
"structure_string": "Ba4 Ga1 Si1\n1.0\n0.000000 4.919360 4.919360\n4.919360 0.000000 4.919360\n4.919360 4.919360 -0.000000\nBa Ga Si\n4 1 1\ndirect\n0.122801 0.625733 0.625733 Ba\n0.625733 0.625733 0.625733 Ba\n0.625733 0.122801 0.625733 Ba\n0.625733 0.625733 0.122801 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Si"
],
"chemical_system": "Ba-Ga-Si",
"density": 4.513108336101157,
"density_atomic": 0.025199703924585037,
"volume": 238.09803551486772,
"volume_molar": 23.89766474250021,
"formula_full": "Ba4 Ga1 Si1",
"formula_reduced": "Ba4GaSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4022491341666665,
"spacegroup": 216
},
{
"id": "jvasp-118847",
"created_at": "2022-09-04T14:38:47.935699Z",
"updated_at": "2022-09-04T14:38:47.935739Z",
"structure_string": "Na1 Ca1 As1\n1.0\n3.247347 0.000000 -0.000000\n-0.000000 3.247347 -0.000000\n0.000000 0.000000 9.001359\nNa Ca As\n1 1 1\ndirect\n0.000000 0.000000 -0.057074 Na\n0.000000 0.000000 0.561232 Ca\n0.000000 0.000000 0.252737 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ca",
"As"
],
"chemical_system": "As-Ca-Na",
"density": 2.4139554316107468,
"density_atomic": 0.031604998584460975,
"volume": 94.92169385747071,
"volume_molar": 19.054393386243866,
"formula_full": "Na1 Ca1 As1",
"formula_reduced": "NaCaAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4022803900000001,
"spacegroup": 99
},
{
"id": "jvasp-37075",
"created_at": "2022-09-04T14:38:05.274611Z",
"updated_at": "2022-09-04T14:38:05.274635Z",
"structure_string": "Sm1 Tl1 Te2\n1.0\n-2.249655 -3.896516 0.000000\n-4.499308 0.000000 0.000000\n-2.249655 -1.298839 -8.125772\nSm Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.499999 0.500000 Tl\n0.739744 0.739742 0.780771 Te\n0.260257 0.260256 0.219229 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"Te"
],
"chemical_system": "Sm-Te-Tl",
"density": 7.109707642652478,
"density_atomic": 0.02807845267013979,
"volume": 142.45799250376163,
"volume_molar": 21.447552081116935,
"formula_full": "Sm1 Tl1 Te2",
"formula_reduced": "SmTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4022992520833332,
"spacegroup": 166
},
{
"id": "jvasp-95416",
"created_at": "2022-09-04T14:36:00.378651Z",
"updated_at": "2022-09-04T14:36:00.378683Z",
"structure_string": "Se8 Br8\n1.0\n4.855045 0.106619 0.000000\n-0.738408 7.388688 0.000000\n0.000000 0.000000 14.091743\nSe Br\n8 8\ndirect\n0.100704 0.381355 0.136444 Se\n0.399295 0.618646 0.636444 Se\n0.899295 0.618646 0.863556 Se\n0.600704 0.381355 0.363556 Se\n0.828392 0.206222 0.038018 Se\n0.671606 0.793779 0.538018 Se\n0.171606 0.793779 0.961981 Se\n0.328393 0.206222 0.461982 Se\n0.863670 0.663523 0.145527 Br\n0.636328 0.336478 0.645527 Br\n0.136329 0.336478 0.854473 Br\n0.363670 0.663523 0.354473 Br\n0.493124 0.042985 0.147149 Br\n0.006875 0.957016 0.647149 Br\n0.506875 0.957016 0.852851 Br\n0.993123 0.042985 0.352851 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 4.165692273143591,
"density_atomic": 0.031582215278961115,
"volume": 506.6142402828404,
"volume_molar": 19.068139162523295,
"formula_full": "Se8 Br8",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.4023937358333333,
"spacegroup": 14
},
{
"id": "jvasp-1894",
"created_at": "2022-09-04T14:36:22.303579Z",
"updated_at": "2022-09-04T14:36:22.303605Z",
"structure_string": "Na1 In1 S2\n1.0\n3.681324 -0.011907 5.947083\n1.682725 3.274251 5.947083\n-0.019578 -0.011907 6.994251\nNa In S\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.740986 0.740984 0.740986 S\n0.259015 0.259014 0.259015 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"In",
"S"
],
"chemical_system": "In-Na-S",
"density": 3.946397875171359,
"density_atomic": 0.04707542049651342,
"volume": 84.97003229734835,
"volume_molar": 12.79253737190945,
"formula_full": "Na1 In1 S2",
"formula_reduced": "NaInS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4023947425,
"spacegroup": 166
},
{
"id": "jvasp-50034",
"created_at": "2022-09-04T14:37:13.609979Z",
"updated_at": "2022-09-04T14:37:13.609998Z",
"structure_string": "Na12 Mg2 O8\n1.0\n7.434304 -0.000000 0.000000\n0.000000 7.434304 -0.000000\n-0.000000 -0.000000 5.466880\nNa Mg O\n12 2 8\ndirect\n0.787605 0.787605 0.500000 Na\n0.712394 0.712394 0.000000 Na\n0.000000 0.500000 0.586801 Na\n0.000000 0.500000 0.086801 Na\n0.712394 0.287605 0.000000 Na\n0.287605 0.287605 0.000000 Na\n0.287605 0.712394 0.000000 Na\n0.787605 0.212394 0.500000 Na\n0.500000 0.000000 0.913199 Na\n0.500000 0.000000 0.413199 Na\n0.212394 0.787605 0.500000 Na\n0.212394 0.212394 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.742001 0.500000 0.316879 O\n0.500000 0.742001 0.683121 O\n0.242002 0.000000 0.183121 O\n0.757998 0.000000 0.183121 O\n0.500000 0.257998 0.683121 O\n0.000000 0.242002 0.816879 O\n0.257998 0.500000 0.316879 O\n0.000000 0.757998 0.816879 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.4867415200087253,
"density_atomic": 0.07281192407905172,
"volume": 302.1483126323465,
"volume_molar": 8.270816677583985,
"formula_full": "Na12 Mg2 O8",
"formula_reduced": "Na6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4024195909090908,
"spacegroup": 137
},
{
"id": "jvasp-10935",
"created_at": "2022-09-04T14:37:20.155266Z",
"updated_at": "2022-09-04T14:37:20.155283Z",
"structure_string": "Mg1 Cr2 F12\n1.0\n-4.841805 0.038260 0.724383\n2.309128 4.458586 -1.543077\n1.260207 -0.176205 -8.640549\nMg Cr F\n1 2 12\ndirect\n-0.000001 -0.000000 0.500000 Mg\n0.230202 0.751456 0.237316 Cr\n0.769798 0.248544 0.762685 Cr\n0.825126 0.559693 0.200635 F\n0.341804 0.072152 0.694609 F\n0.776600 0.904356 0.865491 F\n0.251131 0.396141 0.364956 F\n0.707066 0.298700 -0.066375 F\n0.193725 0.806994 0.429526 F\n0.223400 0.095644 0.134510 F\n0.748870 0.603859 0.635045 F\n0.174874 0.440307 0.799366 F\n0.658196 0.927848 0.305392 F\n0.292935 0.701301 0.066376 F\n0.806275 0.193006 0.570475 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.212334961363551,
"density_atomic": 0.08144678268338808,
"volume": 184.16933739801863,
"volume_molar": 7.393957823245336,
"formula_full": "Mg1 Cr2 F12",
"formula_reduced": "MgCr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4025764826666665,
"spacegroup": 2
},
{
"id": "jvasp-56243",
"created_at": "2022-09-04T14:38:35.473841Z",
"updated_at": "2022-09-04T14:38:35.473871Z",
"structure_string": "Ba2 Bi3\n1.0\n4.535532 -0.000000 1.709375\n1.745312 6.304179 2.240927\n-0.015976 0.064136 6.914202\nBa Bi\n2 3\ndirect\n0.777041 0.722958 0.722958 Ba\n0.222957 0.277043 0.277043 Ba\n0.499999 0.295136 0.704865 Bi\n0.000000 0.000000 0.000000 Bi\n0.499999 0.704865 0.295136 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 7.583955597527846,
"density_atomic": 0.025328244949443912,
"volume": 197.40807189681638,
"volume_molar": 23.77638392245657,
"formula_full": "Ba2 Bi3",
"formula_reduced": "Ba2Bi3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4026077199999999,
"spacegroup": 71
},
{
"id": "jvasp-101714",
"created_at": "2022-09-04T14:36:40.744388Z",
"updated_at": "2022-09-04T14:36:40.744417Z",
"structure_string": "Ho2 In1 Ag1\n1.0\n3.592604 -0.000000 0.000000\n0.000000 3.592604 0.000000\n0.000000 -0.000000 7.609231\nHo In Ag\n2 1 1\ndirect\n0.000000 0.000000 0.764064 Ho\n0.000000 0.000000 0.235935 Ho\n0.499999 0.499999 0.500000 In\n0.499999 0.499999 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"In",
"Ag"
],
"chemical_system": "Ag-Ho-In",
"density": 9.342405858405812,
"density_atomic": 0.04072869777759375,
"volume": 98.21084930931764,
"volume_molar": 14.785988967496491,
"formula_full": "Ho2 In1 Ag1",
"formula_reduced": "Ho2InAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4026083337499999,
"spacegroup": 123
},
{
"id": "jvasp-90813",
"created_at": "2022-09-04T14:35:55.024708Z",
"updated_at": "2022-09-04T14:35:55.024723Z",
"structure_string": "Si8\n1.0\n4.778039 2.461695 0.000000\n-4.778039 2.461695 0.000000\n0.000000 -0.000000 5.467271\nSi\n8\ndirect\n0.500027 0.500027 0.774939 Si\n0.499975 0.499975 0.225061 Si\n-0.000026 -0.000026 0.274939 Si\n0.000026 0.000026 0.725060 Si\n0.284093 0.715909 0.500000 Si\n0.784093 0.215909 0.000000 Si\n0.715909 0.284093 0.500000 Si\n0.215909 0.784093 0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.9009264208165546,
"density_atomic": 0.06220215857505643,
"volume": 128.6128999903882,
"volume_molar": 9.681562341174006,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.4026299999999998,
"spacegroup": 69
},
{
"id": "jvasp-7799",
"created_at": "2022-09-04T14:36:47.495167Z",
"updated_at": "2022-09-04T14:36:47.495188Z",
"structure_string": "Ba2 Zn3 As2 O2\n1.0\n4.126963 0.000000 -0.863163\n-0.180532 4.123012 -0.863163\n0.023394 0.024441 10.409372\nBa Zn As O\n2 3 2 2\ndirect\n0.589329 0.589329 0.178658 Ba\n0.410670 0.410671 0.821342 Ba\n0.000000 0.000000 0.000000 Zn\n0.749999 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.173885 0.173885 0.347770 As\n0.826114 0.826114 0.652230 As\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"As",
"O"
],
"chemical_system": "As-Ba-O-Zn",
"density": 6.1133824012201705,
"density_atomic": 0.0507628571650143,
"volume": 177.29498500732123,
"volume_molar": 11.863281730624202,
"formula_full": "Ba2 Zn3 As2 O2",
"formula_reduced": "Ba2Zn3(AsO)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 0.4026426266666666,
"spacegroup": 139
}
]
}