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=id&page=415",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=413",
"results": [
{
"id": "jvasp-107150",
"created_at": "2022-09-04T14:36:57.966995Z",
"updated_at": "2022-09-04T14:36:57.967014Z",
"structure_string": "La2 Cu1 N2 F2\n1.0\n3.854941 -0.006910 -5.937360\n-0.343894 3.839578 -5.937360\n0.006330 0.006910 7.079037\nLa Cu N F\n2 1 2 2\ndirect\n0.376367 0.376367 0.000000 La\n0.623634 0.623634 0.000001 La\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 N\n0.000001 0.500000 0.500001 N\n0.750000 0.250000 0.500000 F\n0.250001 0.750001 0.500001 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Cu",
"N",
"F"
],
"chemical_system": "Cu-F-La-N",
"density": 6.437510809218932,
"density_atomic": 0.06661636220592043,
"volume": 105.07928935479886,
"volume_molar": 9.040032449362405,
"formula_full": "La2 Cu1 N2 F2",
"formula_reduced": "La2Cu(NF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.8611925021428568,
"spacegroup": 139
},
{
"id": "jvasp-107152",
"created_at": "2022-09-04T14:38:45.999147Z",
"updated_at": "2022-09-04T14:38:45.999169Z",
"structure_string": "Zr3 P3 Ru3\n1.0\n6.485681 -0.000000 0.000000\n-3.242841 5.616764 0.000000\n0.000000 0.000000 3.819961\nZr P Ru\n3 3 3\ndirect\n0.415357 0.415357 0.500000 Zr\n0.584643 0.000000 0.500000 Zr\n-0.000000 0.584643 0.500000 Zr\n0.666667 0.333333 -0.000000 P\n0.333333 0.666666 -0.000000 P\n0.000000 0.000000 0.500000 P\n0.754948 0.754947 -0.000000 Ru\n0.245052 0.000000 -0.000000 Ru\n-0.000000 0.245052 -0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"P",
"Ru"
],
"chemical_system": "P-Ru-Zr",
"density": 7.992739927154934,
"density_atomic": 0.06467580158218234,
"volume": 139.15560039196217,
"volume_molar": 9.31127347891897,
"formula_full": "Zr3 P3 Ru3",
"formula_reduced": "ZrPRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1219268333333337,
"spacegroup": 189
},
{
"id": "jvasp-107154",
"created_at": "2022-09-04T14:36:58.680896Z",
"updated_at": "2022-09-04T14:36:58.680916Z",
"structure_string": "Mg1 O2\n1.0\n2.913015 0.006839 2.648285\n1.175706 2.665223 2.648285\n0.010465 0.006839 3.936871\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.571844 0.571844 0.571844 O\n0.428155 0.428155 0.428155 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.0726097910018453,
"density_atomic": 0.09859204175399408,
"volume": 30.42841944064381,
"volume_molar": 6.108140832529251,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2099845,
"spacegroup": 166
},
{
"id": "jvasp-107156",
"created_at": "2022-09-04T14:36:56.337589Z",
"updated_at": "2022-09-04T14:36:56.337610Z",
"structure_string": "Cd1 Ga1 Cu3 Se4\n1.0\n5.901110 0.000000 0.000000\n0.000000 5.901110 0.000000\n-0.000000 -0.000000 5.901110\nCd Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.241082 0.241082 0.241082 Se\n0.758918 0.758918 0.241082 Se\n0.241082 0.758918 0.758918 Se\n0.758918 0.241082 0.758918 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.564453960202115,
"density_atomic": 0.0437966990282063,
"volume": 205.49493910953763,
"volume_molar": 13.750216097614052,
"formula_full": "Cd1 Ga1 Cu3 Se4",
"formula_reduced": "CdGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2373696546296293,
"spacegroup": 215
},
{
"id": "jvasp-107157",
"created_at": "2022-09-04T14:36:55.173583Z",
"updated_at": "2022-09-04T14:36:55.173611Z",
"structure_string": "Zr1 Sn1 Ru2\n1.0\n3.962265 0.000000 2.287615\n1.320755 3.735659 2.287615\n-0.000000 -0.000000 4.575230\nZr Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.499998 Sn\n0.250001 0.250000 0.249999 Ru\n0.750002 0.750000 0.749998 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-Zr",
"density": 10.104169790473192,
"density_atomic": 0.059065830663616044,
"volume": 67.72104878673889,
"volume_molar": 10.19564220521422,
"formula_full": "Zr1 Sn1 Ru2",
"formula_reduced": "ZrSnRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2825068,
"spacegroup": 225
},
{
"id": "jvasp-107158",
"created_at": "2022-09-04T14:37:00.563745Z",
"updated_at": "2022-09-04T14:37:00.563755Z",
"structure_string": "Ac1 Sm3\n1.0\n4.753332 -0.026348 -4.246694\n-0.969322 4.653523 -4.246694\n0.021547 0.026348 6.374018\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500001 Sm\n0.250000 0.750000 0.500001 Sm\n0.500000 0.499999 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Sm"
],
"chemical_system": "Ac-Sm",
"density": 7.9351598399353325,
"density_atomic": 0.028189387403081457,
"volume": 141.89737232681932,
"volume_molar": 21.36314874065587,
"formula_full": "Ac1 Sm3",
"formula_reduced": "AcSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.33730665625,
"spacegroup": 139
},
{
"id": "jvasp-107159",
"created_at": "2022-09-04T14:37:00.116536Z",
"updated_at": "2022-09-04T14:37:00.116562Z",
"structure_string": "Ac1 Sn1 Pd2\n1.0\n4.402173 -0.000000 2.541596\n1.467391 4.150408 2.541596\n-0.000000 -0.000000 5.083191\nAc Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ac\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750000 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Sn",
"Pd"
],
"chemical_system": "Ac-Pd-Sn",
"density": 9.986580974416006,
"density_atomic": 0.043069087000164326,
"volume": 92.87403747343747,
"volume_molar": 13.98251316536388,
"formula_full": "Ac1 Sn1 Pd2",
"formula_reduced": "AcSnPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.947255775,
"spacegroup": 225
},
{
"id": "jvasp-10716",
"created_at": "2022-09-04T14:37:27.753406Z",
"updated_at": "2022-09-04T14:37:27.753427Z",
"structure_string": "Sc4 Cd2 S8\n1.0\n6.603794 -0.000000 3.812703\n2.201265 6.226117 3.812703\n-0.000000 0.000000 7.625405\nSc Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.499999 0.500000 -0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.739427 0.739428 0.739428 S\n0.260572 0.260572 0.718284 S\n0.260571 0.718284 0.260572 S\n0.718282 0.260572 0.260572 S\n0.739427 0.281717 0.739428 S\n0.281716 0.739428 0.739428 S\n0.260572 0.260572 0.260572 S\n0.739427 0.739428 0.281717 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"S"
],
"chemical_system": "Cd-S-Sc",
"density": 3.501754284072062,
"density_atomic": 0.04465337875216348,
"volume": 313.52610689782784,
"volume_molar": 13.486416769096618,
"formula_full": "Sc4 Cd2 S8",
"formula_reduced": "Sc2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.532541464285714,
"spacegroup": 227
},
{
"id": "jvasp-107160",
"created_at": "2022-09-04T14:36:57.313201Z",
"updated_at": "2022-09-04T14:36:57.313232Z",
"structure_string": "Ag6 Hg2\n1.0\n5.955406 -0.000000 0.000000\n-2.977703 5.157533 0.000000\n-0.000000 0.000000 4.872025\nAg Hg\n6 2\ndirect\n0.163862 0.327724 0.250000 Ag\n0.672277 0.836137 0.250000 Ag\n0.163862 0.836137 0.250000 Ag\n0.836139 0.672276 0.749999 Ag\n0.327724 0.163862 0.749999 Ag\n0.836139 0.163862 0.749999 Ag\n0.333334 0.666666 0.749999 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.633455639609089,
"density_atomic": 0.05345977040675536,
"volume": 149.6452367664694,
"volume_molar": 11.264808498390073,
"formula_full": "Ag6 Hg2",
"formula_reduced": "Ag3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0004175,
"spacegroup": 194
},
{
"id": "jvasp-107162",
"created_at": "2022-09-04T14:36:57.216239Z",
"updated_at": "2022-09-04T14:36:57.216263Z",
"structure_string": "Be2 Ir1 Ru1\n1.0\n3.422132 -0.000000 1.975769\n1.140711 3.226417 1.975769\n-0.000000 -0.000000 3.951538\nBe Ir Ru\n2 1 1\ndirect\n0.749999 0.750001 0.750001 Be\n0.250000 0.250000 0.250000 Be\n0.499999 0.500000 0.500001 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ir",
"Ru"
],
"chemical_system": "Be-Ir-Ru",
"density": 11.84842583533771,
"density_atomic": 0.09168041573899281,
"volume": 43.62981960496009,
"volume_molar": 6.568622874861932,
"formula_full": "Be2 Ir1 Ru1",
"formula_reduced": "Be2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.09059095,
"spacegroup": 225
},
{
"id": "jvasp-107163",
"created_at": "2022-09-04T14:36:57.811521Z",
"updated_at": "2022-09-04T14:36:57.811550Z",
"structure_string": "Ca3 Ag1\n1.0\n4.976409 -0.000000 0.000000\n0.000000 4.976409 0.000000\n-0.000000 -0.000000 4.976409\nCa Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 3.0734798549970628,
"density_atomic": 0.032457255241226064,
"volume": 123.2390098999912,
"volume_molar": 18.554066618519514,
"formula_full": "Ca3 Ag1",
"formula_reduced": "Ca3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-107164",
"created_at": "2022-09-04T14:37:01.102133Z",
"updated_at": "2022-09-04T14:37:01.102157Z",
"structure_string": "Ca1 Ac1 Rh2\n1.0\n4.363596 -0.000000 2.519323\n1.454532 4.114038 2.519323\n-0.000000 -0.000000 5.038647\nCa Ac Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.499999 Ac\n0.750000 0.750000 0.749999 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ac",
"Rh"
],
"chemical_system": "Ac-Ca-Rh",
"density": 8.681235589354298,
"density_atomic": 0.04422147498282249,
"volume": 90.45378973798977,
"volume_molar": 13.618136351940448,
"formula_full": "Ca1 Ac1 Rh2",
"formula_reduced": "CaAcRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.385246605,
"spacegroup": 225
}
]
}