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=updated_at&page=3419",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3417",
"results": [
{
"id": "jvasp-53374",
"created_at": "2022-09-04T14:38:07.975335Z",
"updated_at": "2022-09-04T14:38:07.975367Z",
"structure_string": "Ba9 Nd2 S12\n1.0\n7.709106 -0.000236 -0.000150\n-3.854283 6.676394 0.000389\n-1.284314 -2.225412 14.430361\nBa Nd S\n9 2 12\ndirect\n0.758761 0.759152 0.238505 Ba\n0.500444 0.500830 0.500189 Ba\n0.242096 0.242497 0.761866 Ba\n0.600321 0.921581 0.762137 Ba\n0.079681 0.400928 0.238229 Ba\n0.830944 0.170332 0.500190 Ba\n0.400544 0.080072 0.238234 Ba\n0.169943 0.831327 0.500190 Ba\n0.921179 0.600731 0.762142 Ba\n0.333784 0.667462 0.000190 Nd\n0.667056 0.334183 0.000189 Nd\n0.964127 0.329319 0.891353 S\n0.789408 0.456950 0.367211 S\n0.211468 0.544707 0.633163 S\n0.036717 0.672327 0.109020 S\n0.599537 0.599941 0.891384 S\n0.401317 0.401716 0.108993 S\n0.876555 0.876950 0.626622 S\n0.671927 0.037114 0.109018 S\n0.124320 0.124709 0.373751 S\n0.544315 0.211867 0.633163 S\n0.456562 0.789791 0.367211 S\n0.328919 0.964533 0.891355 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"S"
],
"chemical_system": "Ba-Nd-S",
"density": 4.268587826797002,
"density_atomic": 0.030967770661346965,
"volume": 742.7076443932693,
"volume_molar": 19.446478165496924,
"formula_full": "Ba9 Nd2 S12",
"formula_reduced": "Ba9(NdS6)2",
"formula_anonymous": "A2B9C12",
"energy_above_hull": 1.2213215969565216,
"spacegroup": 12
},
{
"id": "jvasp-37063",
"created_at": "2022-09-04T14:38:07.976480Z",
"updated_at": "2022-09-04T14:38:07.976503Z",
"structure_string": "Tc2 N2\n1.0\n1.408528 -2.439642 0.000000\n1.408528 2.439642 -0.000000\n0.000000 -0.000000 5.673620\nTc N\n2 2\ndirect\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.333334 0.666668 0.250000 N\n0.666668 0.333334 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tc",
"N"
],
"chemical_system": "N-Tc",
"density": 9.539843901900511,
"density_atomic": 0.10258365405913415,
"volume": 38.99256696095274,
"volume_molar": 5.870468170814571,
"formula_full": "Tc2 N2",
"formula_reduced": "TcN",
"formula_anonymous": "AB",
"energy_above_hull": 3.512827375,
"spacegroup": 194
},
{
"id": "jvasp-46750",
"created_at": "2022-09-04T14:38:07.978429Z",
"updated_at": "2022-09-04T14:38:07.978452Z",
"structure_string": "Li6 Mn1 Fe1 P2 C2 O14\n1.0\n0.000000 4.955103 0.108426\n6.379768 0.000000 0.000000\n0.000000 -0.854121 -8.539821\nLi Mn Fe P C O\n6 1 1 2 2 14\ndirect\n0.803940 0.500000 0.897173 Li\n0.270846 0.262285 0.731902 Li\n0.270846 0.737715 0.731902 Li\n0.729938 0.766588 0.267956 Li\n0.729938 0.233412 0.267956 Li\n0.195251 0.000000 0.104799 Li\n0.223615 0.500000 0.341463 Mn\n0.786162 0.000000 0.665724 Fe\n0.261475 0.000000 0.407335 P\n0.735066 0.500000 0.593951 P\n0.665023 0.000000 0.960391 C\n0.337344 0.500000 0.036813 C\n0.521582 0.500000 0.159829 O\n0.149446 0.812497 0.302527 O\n0.149446 0.187504 0.302527 O\n0.824539 0.500000 0.429317 O\n0.579141 0.000000 0.426600 O\n0.418247 0.500000 0.578381 O\n0.916927 0.000000 0.938162 O\n0.848019 0.689265 0.696805 O\n0.848019 0.310735 0.696805 O\n0.483946 0.000000 0.835729 O\n0.410826 0.500000 0.896603 O\n0.589475 0.000000 0.099834 O\n0.164807 0.000000 0.570156 O\n0.086131 0.500000 0.059352 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Mn-O-P",
"density": 2.8503769105218986,
"density_atomic": 0.0965202667631692,
"volume": 269.3734784612224,
"volume_molar": 6.239250016555037,
"formula_full": "Li6 Mn1 Fe1 P2 C2 O14",
"formula_reduced": "Li6MnFeP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.051725105437666,
"spacegroup": 6
},
{
"id": "jvasp-9164",
"created_at": "2022-09-04T14:38:07.980535Z",
"updated_at": "2022-09-04T14:38:07.980558Z",
"structure_string": "Nb4 O10\n1.0\n4.622615 0.000000 -1.771761\n-0.521199 5.448243 -1.359834\n0.011119 0.013327 6.945210\nNb O\n4 10\ndirect\n0.380795 0.250348 0.280115 Nb\n0.100680 0.249652 0.719886 Nb\n0.619206 0.749652 0.719886 Nb\n0.899321 0.750348 0.280115 Nb\n0.721644 0.372233 0.588084 O\n0.133561 0.127767 0.411917 O\n0.278357 0.627767 0.411917 O\n0.866440 0.872233 0.588084 O\n0.899602 0.750000 0.000001 O\n0.100399 0.250000 0.000000 O\n0.335369 0.531074 0.781880 O\n0.553490 0.968926 0.218121 O\n0.664632 0.468926 0.218121 O\n0.446511 0.031074 0.781880 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.0409882926230285,
"density_atomic": 0.07994544201358599,
"volume": 175.119427041517,
"volume_molar": 7.532813138961184,
"formula_full": "Nb4 O10",
"formula_reduced": "Nb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.366798042857143,
"spacegroup": 15
},
{
"id": "jvasp-36681",
"created_at": "2022-09-04T14:38:07.986503Z",
"updated_at": "2022-09-04T14:38:07.986530Z",
"structure_string": "Y2 W2 N6\n1.0\n3.768059 0.000000 0.000000\n0.000000 5.094814 -1.895029\n0.000000 0.001493 7.800270\nY W N\n2 2 6\ndirect\n0.750000 0.070224 0.661676 Y\n0.250000 0.408548 0.338324 Y\n0.250000 0.700215 0.823256 W\n0.750000 0.876959 0.176743 W\n0.750000 0.165276 0.395858 N\n0.750000 0.826775 0.889281 N\n0.250000 0.937494 0.110719 N\n0.250000 0.347186 0.768968 N\n0.250000 0.769417 0.604141 N\n0.750000 0.578219 0.231032 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 6.98039916777064,
"density_atomic": 0.06677492651894006,
"volume": 149.75681024768477,
"volume_molar": 9.018565910801682,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36526904,
"spacegroup": 40
},
{
"id": "jvasp-44575",
"created_at": "2022-09-04T14:38:07.993415Z",
"updated_at": "2022-09-04T14:38:07.993440Z",
"structure_string": "Mn6 Cr2 O16\n1.0\n2.840145 -4.919276 0.000000\n2.840145 4.919276 -0.000000\n-0.000000 -0.000000 8.725982\nMn Cr O\n6 2 16\ndirect\n0.167778 0.335555 0.211600 Mn\n0.664446 0.832223 0.211600 Mn\n0.167778 0.832223 0.211600 Mn\n0.832224 0.167778 0.711598 Mn\n0.335556 0.167778 0.711598 Mn\n0.832224 0.664445 0.711598 Mn\n0.333334 0.666668 0.491771 Cr\n0.666668 0.333334 0.991771 Cr\n0.340414 0.170207 0.099543 O\n0.666668 0.333334 0.598911 O\n0.958128 0.479064 0.838377 O\n0.520937 0.041874 0.838377 O\n0.170207 0.829795 0.599542 O\n0.829794 0.170207 0.099543 O\n0.479064 0.958128 0.338378 O\n0.000000 0.000000 0.318623 O\n0.659588 0.829795 0.599542 O\n0.000000 0.000000 0.818620 O\n0.520938 0.479064 0.838377 O\n0.333334 0.666668 0.098913 O\n0.479064 0.520937 0.338378 O\n0.170207 0.340413 0.599542 O\n0.041873 0.520937 0.338378 O\n0.829795 0.659588 0.099543 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.696422767777764,
"density_atomic": 0.09842948903331639,
"volume": 243.8293669479122,
"volume_molar": 6.11822820492508,
"formula_full": "Mn6 Cr2 O16",
"formula_reduced": "Mn3CrO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.5880864270114947,
"spacegroup": 186
},
{
"id": "jvasp-109976",
"created_at": "2022-09-04T14:38:07.994422Z",
"updated_at": "2022-09-04T14:38:07.994447Z",
"structure_string": "La1 Pm1 Ru2\n1.0\n4.309964 -0.000000 2.488359\n1.436655 4.063473 2.488359\n-0.000000 -0.000000 4.976718\nLa Pm Ru\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250001 Ru\n0.749999 0.749999 0.750002 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Ru"
],
"chemical_system": "La-Pm-Ru",
"density": 9.260020403405193,
"density_atomic": 0.045892946048071835,
"volume": 87.15936422582436,
"volume_molar": 13.122148998000569,
"formula_full": "La1 Pm1 Ru2",
"formula_reduced": "LaPmRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.07010429375,
"spacegroup": 225
},
{
"id": "jvasp-22950",
"created_at": "2022-09-04T14:38:07.995021Z",
"updated_at": "2022-09-04T14:38:07.995033Z",
"structure_string": "Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Lu",
"O",
"F"
],
"chemical_system": "F-Lu-O",
"density": 8.960567074724851,
"density_atomic": 0.08277722607897034,
"volume": 483.22469711463367,
"volume_molar": 7.275117861831725,
"formula_full": "Lu12 O8 F20",
"formula_reduced": "Lu3O2F5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.5404985662499997,
"spacegroup": 62
},
{
"id": "jvasp-59253",
"created_at": "2022-09-04T14:38:07.998127Z",
"updated_at": "2022-09-04T14:38:07.998142Z",
"structure_string": "Dy4 Ti4 O14\n1.0\n7.173586 0.000000 0.000000\n3.586792 6.212507 0.000000\n3.586792 2.070835 5.857208\nDy Ti O\n4 4 14\ndirect\n-0.000001 0.500001 0.500000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500001 0.500000 Dy\n-0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.330482 0.919518 0.919517 O\n0.669517 0.080483 0.080483 O\n0.919516 0.919517 0.330483 O\n0.624999 0.625001 0.625000 O\n0.330483 0.919517 0.330483 O\n0.330482 0.330484 0.919517 O\n0.080482 0.669518 0.669517 O\n0.375000 0.375000 0.375000 O\n0.080483 0.669517 0.080483 O\n0.080483 0.080484 0.669517 O\n0.669517 0.080484 0.669517 O\n0.919516 0.330484 0.919517 O\n0.669517 0.669517 0.080483 O\n0.919517 0.330484 0.330483 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Ti",
"O"
],
"chemical_system": "Dy-O-Ti",
"density": 6.777854430166733,
"density_atomic": 0.08428083577771533,
"volume": 261.0320578455513,
"volume_molar": 7.145326341901693,
"formula_full": "Dy4 Ti4 O14",
"formula_reduced": "Dy2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.6818967424242426,
"spacegroup": 227
},
{
"id": "jvasp-36053",
"created_at": "2022-09-04T14:38:07.999863Z",
"updated_at": "2022-09-04T14:38:07.999884Z",
"structure_string": "Sm2 In1 Hg1\n1.0\n0.000000 3.797635 3.797635\n3.797635 0.000000 3.797635\n3.797635 3.797635 0.000000\nSm In Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.750001 0.750001 0.750001 In\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sm",
"density": 9.34007543242027,
"density_atomic": 0.03651659978607729,
"volume": 109.53922389907405,
"volume_molar": 16.491515626534497,
"formula_full": "Sm2 In1 Hg1",
"formula_reduced": "Sm2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1099080799999999,
"spacegroup": 225
},
{
"id": "jvasp-59283",
"created_at": "2022-09-04T14:38:08.004308Z",
"updated_at": "2022-09-04T14:38:08.004328Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.829901 0.000000 0.000000\n-0.000000 7.558069 0.000000\n0.000000 0.000000 7.731620\nAl Si O\n8 4 20\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.357462 0.844291 Al\n0.750000 0.642538 0.155709 Al\n0.750000 0.857462 0.655709 Al\n0.250000 0.142538 0.344291 Al\n0.750000 0.346291 0.839821 Si\n0.250000 0.653709 0.160179 Si\n0.750000 0.153709 0.339821 Si\n0.250000 0.846292 0.660179 Si\n0.250000 0.523201 0.998023 O\n0.750000 0.642773 0.567145 O\n0.250000 0.357228 0.432855 O\n0.750000 0.139191 0.908504 O\n0.250000 0.860809 0.091496 O\n0.250000 0.639191 0.591496 O\n0.750000 0.360809 0.408504 O\n0.750000 0.476799 0.001977 O\n0.250000 0.976799 0.498023 O\n0.485872 0.873879 0.778056 O\n0.514128 0.126121 0.221944 O\n0.014128 0.873879 0.778056 O\n0.485872 0.626121 0.278056 O\n0.985872 0.373879 0.721944 O\n0.750000 0.857228 0.067145 O\n0.985872 0.126121 0.221944 O\n0.514128 0.373879 0.721944 O\n0.014128 0.626121 0.278056 O\n0.750000 0.023201 0.501977 O\n0.250000 0.142773 0.932855 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 3.1593936269728844,
"density_atomic": 0.09393067542211318,
"volume": 340.67677950995073,
"volume_molar": 6.411260999601272,
"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3064177125,
"spacegroup": 62
},
{
"id": "jvasp-45916",
"created_at": "2022-09-04T14:38:08.005055Z",
"updated_at": "2022-09-04T14:38:08.005088Z",
"structure_string": "Li2 V2 W2 O12\n1.0\n5.072460 0.016854 0.006999\n1.290336 6.625358 -0.014411\n2.410500 2.541825 6.336900\nLi V W O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.046717 0.350004 0.230073 V\n0.953284 0.649995 0.769927 V\n0.449443 0.647306 0.265028 W\n0.550558 0.352693 0.734973 W\n0.745220 0.436842 0.435364 O\n0.244326 0.438233 0.936294 O\n0.440328 0.104110 0.774586 O\n0.951201 0.111213 0.280775 O\n0.048801 0.888786 0.719225 O\n0.755676 0.561766 0.063707 O\n0.254781 0.563157 0.564637 O\n0.683871 0.694952 0.662672 O\n0.316130 0.305047 0.337328 O\n0.170231 0.724154 0.148818 O\n0.559673 0.895889 0.225414 O\n0.829770 0.275845 0.851182 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"W",
"O"
],
"chemical_system": "Li-O-V-W",
"density": 5.267615708647697,
"density_atomic": 0.0845380313338209,
"volume": 212.92192065512162,
"volume_molar": 7.123587650414966,
"formula_full": "Li2 V2 W2 O12",
"formula_reduced": "LiVWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.338506133333333,
"spacegroup": 2
}
]
}