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=309",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=307",
"results": [
{
"id": "jvasp-10542",
"created_at": "2022-09-04T14:37:08.106315Z",
"updated_at": "2022-09-04T14:37:08.106334Z",
"structure_string": "K4 Ni2 As4\n1.0\n5.740517 -0.000000 0.000000\n-0.000000 5.940497 -2.830164\n0.000000 0.007059 7.664432\nK Ni As\n4 2 4\ndirect\n0.750000 0.792799 0.585599 K\n0.250000 0.207202 0.414402 K\n0.750000 0.407866 0.815732 K\n0.250000 0.592134 0.184269 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.750000 0.915566 0.206824 As\n0.250000 0.084435 0.793176 As\n0.250000 0.708744 0.793177 As\n0.750000 0.291257 0.206824 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ni",
"As"
],
"chemical_system": "As-K-Ni",
"density": 3.6417723205445043,
"density_atomic": 0.038243331322933345,
"volume": 261.4834967058246,
"volume_molar": 15.746904235794723,
"formula_full": "K4 Ni2 As4",
"formula_reduced": "K2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7180743799999999,
"spacegroup": 63
},
{
"id": "jvasp-105422",
"created_at": "2022-09-04T14:36:46.982850Z",
"updated_at": "2022-09-04T14:36:46.982865Z",
"structure_string": "Pd1 Au1\n1.0\n2.753079 0.003616 4.086647\n1.250810 2.452536 4.086647\n0.005895 0.003616 4.927483\nPd Au\n1 1\ndirect\n0.499998 0.500002 0.500000 Pd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"Au"
],
"chemical_system": "Au-Pd",
"density": 15.189348887648054,
"density_atomic": 0.06030088766769165,
"volume": 33.16700760727891,
"volume_molar": 9.986819419951221,
"formula_full": "Pd1 Au1",
"formula_reduced": "PdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.6588066350000001,
"spacegroup": 166
},
{
"id": "jvasp-105423",
"created_at": "2022-09-04T14:36:42.435300Z",
"updated_at": "2022-09-04T14:36:42.435328Z",
"structure_string": "Pa1 In1 O4\n1.0\n3.792859 -0.000000 0.000000\n0.000000 3.792859 0.000000\n-0.000000 -0.000000 5.283915\nPa In O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.746077 O\n-0.000000 0.500000 0.253923 O\n0.500000 0.000000 0.253923 O\n-0.000000 0.500000 0.746077 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pa",
"In",
"O"
],
"chemical_system": "In-O-Pa",
"density": 8.953366993710894,
"density_atomic": 0.07893362199989826,
"volume": 76.01323552601873,
"volume_molar": 7.62937339934529,
"formula_full": "Pa1 In1 O4",
"formula_reduced": "PaInO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.089477845,
"spacegroup": 123
},
{
"id": "jvasp-105424",
"created_at": "2022-09-04T14:36:48.603573Z",
"updated_at": "2022-09-04T14:36:48.603598Z",
"structure_string": "Pr2 Mn3 Co1 Ge4\n1.0\n4.034593 0.000000 0.000000\n0.000000 4.034593 0.000000\n-0.000000 -0.000000 10.792439\nPr Mn Co Ge\n2 3 1 4\ndirect\n0.000000 0.000000 0.004076 Pr\n0.500000 0.500000 0.495924 Pr\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n-0.000000 0.500000 0.750000 Mn\n-0.000000 0.500000 0.250000 Co\n0.500000 0.500000 0.130190 Ge\n0.000000 0.000000 0.624252 Ge\n0.000000 0.000000 0.369810 Ge\n0.500000 0.500000 0.875748 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn-Pr",
"density": 7.5250606133187885,
"density_atomic": 0.05692210288834303,
"volume": 175.6786817875606,
"volume_molar": 10.579617502559385,
"formula_full": "Pr2 Mn3 Co1 Ge4",
"formula_reduced": "Pr2Mn3CoGe4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 2.657961612413793,
"spacegroup": 115
},
{
"id": "jvasp-105428",
"created_at": "2022-09-04T14:36:49.669592Z",
"updated_at": "2022-09-04T14:36:49.669617Z",
"structure_string": "Nd2 Al3 Ga1\n1.0\n4.907074 0.007994 2.877622\n1.652225 4.620562 2.877622\n0.011329 0.007994 5.688582\nNd Al Ga\n2 3 1\ndirect\n0.124326 0.124325 0.124326 Nd\n0.875675 0.875672 0.875674 Nd\n0.500000 -0.000001 0.500000 Al\n0.000001 0.499999 0.500000 Al\n0.500000 0.499999 -0.000000 Al\n0.500001 0.499999 0.500000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Nd",
"density": 5.66702013708542,
"density_atomic": 0.046627531457316795,
"volume": 128.67934056282706,
"volume_molar": 12.915418362888705,
"formula_full": "Nd2 Al3 Ga1",
"formula_reduced": "Nd2Al3Ga",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3689622875000005,
"spacegroup": 166
},
{
"id": "jvasp-105433",
"created_at": "2022-09-04T14:36:49.164143Z",
"updated_at": "2022-09-04T14:36:49.164166Z",
"structure_string": "Nb2 Pd1\n1.0\n6.708160 0.001403 1.639833\n6.127705 2.719955 1.178032\n0.003942 -0.018464 2.817864\nNb Pd\n2 1\ndirect\n0.337259 0.337262 0.662738 Nb\n0.662738 0.662740 0.337260 Nb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Pd"
],
"chemical_system": "Nb-Pd",
"density": 9.45325066547362,
"density_atomic": 0.058441914075669545,
"volume": 51.33302095676835,
"volume_molar": 10.304489261256297,
"formula_full": "Nb2 Pd1",
"formula_reduced": "Nb2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6629115000000008,
"spacegroup": 69
},
{
"id": "jvasp-105434",
"created_at": "2022-09-04T14:36:52.323811Z",
"updated_at": "2022-09-04T14:36:52.323827Z",
"structure_string": "Nb1 Zn3 Ga3\n1.0\n4.782987 0.004548 2.986852\n1.658453 4.486259 2.986852\n0.006524 0.004548 5.638991\nNb Zn Ga\n1 3 3\ndirect\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 -0.000000 Zn\n-0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 -0.000000 Ga\n-0.000001 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Ga"
],
"chemical_system": "Ga-Nb-Zn",
"density": 6.848193268913629,
"density_atomic": 0.05793379650712091,
"volume": 120.827572540315,
"volume_molar": 10.394866421812683,
"formula_full": "Nb1 Zn3 Ga3",
"formula_reduced": "Nb(ZnGa)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-105436",
"created_at": "2022-09-04T14:36:46.151300Z",
"updated_at": "2022-09-04T14:36:46.151328Z",
"structure_string": "Na1 Tl1 O2\n1.0\n3.429022 0.000000 0.000000\n0.000000 3.429022 0.000000\n0.000000 -0.000000 4.517076\nNa Tl O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 8.10912563180069,
"density_atomic": 0.07531163059072629,
"volume": 53.11264632866084,
"volume_molar": 7.99629580818232,
"formula_full": "Na1 Tl1 O2",
"formula_reduced": "NaTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6254783749999999,
"spacegroup": 123
},
{
"id": "jvasp-105437",
"created_at": "2022-09-04T14:36:52.944650Z",
"updated_at": "2022-09-04T14:36:52.944667Z",
"structure_string": "Na1 Ce2 Se3\n1.0\n5.459351 -0.007493 -4.977477\n-0.540057 4.009694 -6.181467\n0.008254 0.007493 7.387809\nNa Ce Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.664941 0.664941 -0.000001 Ce\n0.335058 0.335059 -0.000001 Ce\n0.500000 -0.000000 0.500000 Se\n0.168640 0.668640 0.499998 Se\n0.831358 0.331358 0.499999 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Ce",
"Se"
],
"chemical_system": "Ce-Na-Se",
"density": 5.531741760094739,
"density_atomic": 0.0370073894590441,
"volume": 162.12978239495035,
"volume_molar": 16.272806182842682,
"formula_full": "Na1 Ce2 Se3",
"formula_reduced": "NaCe2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.15071835,
"spacegroup": 71
},
{
"id": "jvasp-105438",
"created_at": "2022-09-04T14:36:53.135778Z",
"updated_at": "2022-09-04T14:36:53.135804Z",
"structure_string": "Na2 Zn3 Ge1 As4\n1.0\n7.777750 -0.016633 3.551593\n6.681277 3.981735 3.551593\n0.015502 0.004251 7.130840\nNa Zn Ge As\n2 3 1 4\ndirect\n0.511249 0.511248 0.482297 Na\n0.001182 0.001182 0.000206 Na\n0.800907 0.800906 0.522776 Zn\n0.663228 0.663227 0.993386 Zn\n0.181776 0.181776 0.506801 Zn\n0.317782 0.317782 0.016764 Ge\n0.624788 0.624787 0.704784 As\n0.149948 0.149948 0.191652 As\n0.369956 0.369955 0.300847 As\n0.873302 0.873301 0.780483 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Na-Zn",
"density": 4.6093072500619865,
"density_atomic": 0.04516909563968668,
"volume": 221.39030809405347,
"volume_molar": 13.332435982421574,
"formula_full": "Na2 Zn3 Ge1 As4",
"formula_reduced": "Na2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.4391432150000001,
"spacegroup": 8
},
{
"id": "jvasp-10544",
"created_at": "2022-09-04T14:37:07.653547Z",
"updated_at": "2022-09-04T14:37:07.653566Z",
"structure_string": "K4 Na2 Ga2 As4\n1.0\n-6.604993 0.000582 -0.001334\n-0.000858 -6.696232 -0.002794\n3.301398 3.344788 7.445909\nK Na Ga As\n4 2 2 4\ndirect\n0.326865 0.586386 0.653724 K\n0.826878 0.067349 0.653736 K\n0.173122 0.932651 0.346265 K\n0.673135 0.413614 0.346277 K\n0.749994 0.000002 -0.000004 Na\n0.250006 -0.000001 0.000005 Na\n0.250000 0.500001 -0.000002 Ga\n0.750000 0.500000 0.000003 Ga\n0.596959 0.802048 0.193906 As\n0.403041 0.197953 0.806095 As\n0.903053 0.608158 0.806098 As\n0.096947 0.391842 0.193903 As\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Ga",
"As"
],
"chemical_system": "As-Ga-K-Na",
"density": 3.235556329266413,
"density_atomic": 0.036448610283415346,
"volume": 329.23065945974287,
"volume_molar": 16.522278114784974,
"formula_full": "K4 Na2 Ga2 As4",
"formula_reduced": "K2NaGaAs2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.207548470833333,
"spacegroup": 72
},
{
"id": "jvasp-105442",
"created_at": "2022-09-04T14:36:52.920789Z",
"updated_at": "2022-09-04T14:36:52.920814Z",
"structure_string": "Mn1 V1 Co4 Si2\n1.0\n3.823839 -0.000799 5.757076\n1.737134 3.406481 5.757076\n-0.001304 -0.000799 6.911270\nMn V Co Si\n1 1 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.499999 0.500001 V\n0.624382 0.624381 0.624383 Co\n0.125413 0.125413 0.125413 Co\n0.874588 0.874586 0.874588 Co\n0.375619 0.375618 0.375619 Co\n0.250530 0.250529 0.250530 Si\n0.749471 0.749469 0.749471 Si\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"V",
"Co",
"Si"
],
"chemical_system": "Co-Mn-Si-V",
"density": 7.333584764699667,
"density_atomic": 0.08881997201602147,
"volume": 90.06983247593175,
"volume_molar": 6.780165117496003,
"formula_full": "Mn1 V1 Co4 Si2",
"formula_reduced": "MnV(Co2Si)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.030857780172414,
"spacegroup": 166
}
]
}