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=4361",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4359",
"results": [
{
"id": "jvasp-90041",
"created_at": "2022-09-04T14:35:50.060697Z",
"updated_at": "2022-09-04T14:35:50.060720Z",
"structure_string": "Zr6 Ga2 Fe1\n1.0\n0.000000 0.000000 -3.359429\n-3.911308 -6.774583 0.000000\n-3.911166 6.774502 0.000000\nZr Ga Fe\n6 2 1\ndirect\n0.000000 0.248486 0.000000 Zr\n0.000000 0.751502 0.751520 Zr\n0.000000 0.999983 0.248481 Zr\n0.500000 0.596099 0.000000 Zr\n0.500000 0.403872 0.403885 Zr\n0.500000 -0.000013 0.596115 Zr\n0.000000 0.333315 0.666658 Ga\n0.000000 0.666656 0.333343 Ga\n0.500000 0.000003 0.000000 Fe\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Zr",
"density": 6.926836616787256,
"density_atomic": 0.05055369949976444,
"volume": 178.02851401690071,
"volume_molar": 11.912364118926769,
"formula_full": "Zr6 Ga2 Fe1",
"formula_reduced": "Zr6Ga2Fe",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.694479683333334,
"spacegroup": 189
},
{
"id": "jvasp-107763",
"created_at": "2022-09-04T14:35:50.058750Z",
"updated_at": "2022-09-04T14:35:50.058768Z",
"structure_string": "Er2 Al1 Fe3\n1.0\n4.461783 -0.000000 2.590590\n-2.982963 4.209584 0.000000\n0.005781 0.004096 5.127612\nEr Al Fe\n2 1 3\ndirect\n0.504999 0.752500 0.742501 Er\n0.995000 0.997499 0.007499 Er\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Fe\n0.250000 0.875000 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Al",
"Fe"
],
"chemical_system": "Al-Er-Fe",
"density": 9.130563451352018,
"density_atomic": 0.06236137831756501,
"volume": 96.21339620567704,
"volume_molar": 9.656843582470618,
"formula_full": "Er2 Al1 Fe3",
"formula_reduced": "Er2AlFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.6774932166666665,
"spacegroup": 166
},
{
"id": "jvasp-43081",
"created_at": "2022-09-04T14:35:50.053248Z",
"updated_at": "2022-09-04T14:35:50.053270Z",
"structure_string": "Li4 Cu4 S4\n1.0\n6.039148 -0.053649 0.001302\n-0.077774 6.038808 -0.013888\n-2.981946 -2.980062 5.543933\nLi Cu S\n4 4 4\ndirect\n0.738354 0.487280 0.976109 Li\n0.987943 0.237730 0.476125 Li\n0.014747 0.764510 0.529799 Li\n0.265164 0.514119 0.029806 Li\n0.500373 0.001660 0.501540 Cu\n0.003547 0.001193 0.004370 Cu\n0.501847 0.503022 0.504414 Cu\n0.502365 0.999632 0.001465 Cu\n0.902766 0.600485 0.753380 S\n0.350731 0.151676 0.752596 S\n0.101143 0.402128 0.253375 S\n0.652339 0.850070 0.252591 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.3732538622754764,
"density_atomic": 0.05942607531259283,
"volume": 201.93155844261366,
"volume_molar": 10.133835573563214,
"formula_full": "Li4 Cu4 S4",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3637734833333333,
"spacegroup": 70
},
{
"id": "jvasp-86414",
"created_at": "2022-09-04T14:35:50.052327Z",
"updated_at": "2022-09-04T14:35:50.052357Z",
"structure_string": "Ba2 V2 S6\n1.0\n5.612039 0.000000 -0.000000\n-0.000000 5.868602 -3.298025\n0.000000 -0.027014 6.731769\nBa V S\n2 2 6\ndirect\n0.251002 0.663702 0.336298 Ba\n0.751002 0.336298 0.663703 Ba\n0.509122 0.976802 0.023199 V\n0.009122 0.023199 0.976802 V\n0.244104 0.161943 0.325198 S\n0.744104 0.838057 0.674803 S\n0.244104 0.674803 0.838058 S\n0.744104 0.325198 0.161943 S\n0.760568 0.830036 0.169965 S\n0.260567 0.169964 0.830036 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"V",
"S"
],
"chemical_system": "Ba-S-V",
"density": 4.270725056837585,
"density_atomic": 0.04520598855111964,
"volume": 221.20962997395452,
"volume_molar": 13.321555291706693,
"formula_full": "Ba2 V2 S6",
"formula_reduced": "BaVS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7791500340000002,
"spacegroup": 36
},
{
"id": "jvasp-92919",
"created_at": "2022-09-04T14:35:50.051980Z",
"updated_at": "2022-09-04T14:35:50.052006Z",
"structure_string": "Mg6 Bi1 W1\n1.0\n6.154303 0.083445 0.000000\n-3.004886 5.371505 0.000000\n0.000000 0.000000 5.072406\nMg Bi W\n6 1 1\ndirect\n0.156388 0.820529 0.250000 Mg\n0.679470 0.343611 0.250000 Mg\n0.663439 0.836560 0.250000 Mg\n0.323026 0.645733 0.750001 Mg\n0.854266 0.176974 0.750001 Mg\n0.833280 0.666720 0.750001 Mg\n0.331883 0.168117 0.750001 Bi\n0.158245 0.341754 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"W"
],
"chemical_system": "Bi-Mg-W",
"density": 5.29401954459237,
"density_atomic": 0.047349941104276705,
"volume": 168.9548036053931,
"volume_molar": 12.71837011737291,
"formula_full": "Mg6 Bi1 W1",
"formula_reduced": "Mg6BiW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5683223249999999,
"spacegroup": 38
},
{
"id": "jvasp-71791",
"created_at": "2022-09-04T14:35:50.049051Z",
"updated_at": "2022-09-04T14:35:50.049067Z",
"structure_string": "Be2 W1 Cl1\n1.0\n2.776257 0.000000 0.000000\n0.000000 2.776257 0.000000\n0.000000 -0.000000 7.187671\nBe W Cl\n2 1 1\ndirect\n0.000000 0.000000 0.736441 Be\n0.000000 0.000000 0.263559 Be\n0.500001 0.500001 0.500000 W\n0.500001 0.500001 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"W",
"Cl"
],
"chemical_system": "Be-Cl-W",
"density": 7.1132994238734915,
"density_atomic": 0.07220253872935607,
"volume": 55.399714059828234,
"volume_molar": 8.340621903300917,
"formula_full": "Be2 W1 Cl1",
"formula_reduced": "Be2WCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.007396566875,
"spacegroup": 123
},
{
"id": "jvasp-85768",
"created_at": "2022-09-04T14:35:50.048641Z",
"updated_at": "2022-09-04T14:35:50.048662Z",
"structure_string": "Sr8 In8\n1.0\n6.459163 0.030318 -1.285867\n-1.529586 6.275508 -1.285754\n-0.041687 -0.053093 13.525527\nSr In\n8 8\ndirect\n0.715272 0.423001 0.641515 Sr\n0.205801 0.917362 0.152772 Sr\n0.781651 0.074904 0.359739 Sr\n0.303646 0.515008 0.348511 Sr\n0.324700 0.532432 0.859684 Sr\n0.764839 0.054372 0.848538 Sr\n0.166685 0.956028 0.652816 Sr\n0.672803 0.466045 0.141548 Sr\n0.863134 0.622764 0.423520 In\n0.290715 0.043478 0.927328 In\n0.116275 0.364534 0.073981 In\n0.199319 0.440509 0.577742 In\n0.690352 0.950125 0.077775 In\n0.872558 0.613847 0.923475 In\n0.613745 0.866455 0.574011 In\n0.292605 0.040773 0.427300 In\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 4.907408018545623,
"density_atomic": 0.02919718814120605,
"volume": 547.9979757851808,
"volume_molar": 20.625755914833938,
"formula_full": "Sr8 In8",
"formula_reduced": "SrIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0548442857142857,
"spacegroup": 43
},
{
"id": "jvasp-94283",
"created_at": "2022-09-04T14:35:50.048595Z",
"updated_at": "2022-09-04T14:35:50.048622Z",
"structure_string": "Er2 Fe4\n1.0\n2.528556 1.459863 4.128895\n-2.528556 1.459863 4.128895\n0.000000 -2.919724 4.128895\nEr Fe\n2 4\ndirect\n0.624994 0.624994 0.624994 Er\n0.375005 0.375005 0.375005 Er\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.499999 Fe\n-0.000001 0.500000 0.000000 Fe\n0.500000 -0.000001 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Fe"
],
"chemical_system": "Er-Fe",
"density": 10.13058053158054,
"density_atomic": 0.06561175909873486,
"volume": 91.44702233895285,
"volume_molar": 9.17844734346731,
"formula_full": "Er2 Fe4",
"formula_reduced": "ErFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.376570333333333,
"spacegroup": 227
},
{
"id": "jvasp-75769",
"created_at": "2022-09-04T14:35:50.047686Z",
"updated_at": "2022-09-04T14:35:50.047717Z",
"structure_string": "Ta1 As1 Rh2\n1.0\n-0.000000 3.140527 3.140527\n3.140527 0.000000 3.140527\n3.140527 3.140527 -0.000000\nTa As Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"As",
"Rh"
],
"chemical_system": "As-Rh-Ta",
"density": 12.375222615124038,
"density_atomic": 0.0645687533077999,
"volume": 61.94946928790709,
"volume_molar": 9.326710601476837,
"formula_full": "Ta1 As1 Rh2",
"formula_reduced": "TaAsRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6626892375,
"spacegroup": 216
},
{
"id": "jvasp-69045",
"created_at": "2022-09-04T14:35:50.045213Z",
"updated_at": "2022-09-04T14:35:50.045255Z",
"structure_string": "Ba1 V1 Te2\n1.0\n4.330120 0.000000 0.000000\n-0.000000 4.330120 -0.000000\n0.000000 -0.000000 7.617698\nBa V Te\n1 1 2\ndirect\n0.500000 0.500000 0.817845 Ba\n0.000000 0.000000 0.334345 V\n0.000000 0.000000 0.979925 Te\n0.500000 0.500000 0.367886 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"V",
"Te"
],
"chemical_system": "Ba-Te-V",
"density": 5.1557073638287765,
"density_atomic": 0.028005051518270263,
"volume": 142.83137445365645,
"volume_molar": 21.50376604760468,
"formula_full": "Ba1 V1 Te2",
"formula_reduced": "BaVTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3364364258333334,
"spacegroup": 99
},
{
"id": "jvasp-68414",
"created_at": "2022-09-04T14:35:50.045159Z",
"updated_at": "2022-09-04T14:35:50.045196Z",
"structure_string": "Be1 Te2 Se1\n1.0\n3.336276 0.000000 0.000000\n0.000000 3.336276 0.000000\n0.000000 0.000000 8.827013\nBe Te Se\n1 2 1\ndirect\n-0.000000 -0.000000 0.667428 Be\n-0.000000 -0.000000 0.939648 Te\n0.500001 0.500001 0.293546 Te\n0.500001 0.500001 0.599375 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Te",
"Se"
],
"chemical_system": "Be-Se-Te",
"density": 5.799939517916241,
"density_atomic": 0.04071198543528628,
"volume": 98.25116503733767,
"volume_molar": 14.792058642220953,
"formula_full": "Be1 Te2 Se1",
"formula_reduced": "BeTe2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.25338375,
"spacegroup": 99
},
{
"id": "jvasp-67683",
"created_at": "2022-09-04T14:35:50.044986Z",
"updated_at": "2022-09-04T14:35:50.045014Z",
"structure_string": "Na1 Be1 Bi1\n1.0\n-1.901116 1.901116 5.393710\n1.901116 -1.901116 5.393710\n1.901116 1.901116 -5.393710\nNa Be Bi\n1 1 1\ndirect\n0.674206 0.674206 0.000000 Na\n0.937257 0.937257 0.000000 Be\n0.388537 0.388537 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Na",
"density": 5.131797578147424,
"density_atomic": 0.038473034079830964,
"volume": 77.97669385198593,
"volume_molar": 15.652887545869527,
"formula_full": "Na1 Be1 Bi1",
"formula_reduced": "NaBeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7114297999999999,
"spacegroup": 107
}
]
}