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=-volume_molar&page=1288",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1286",
"results": [
{
"id": "jvasp-39292",
"created_at": "2022-09-04T14:37:56.257599Z",
"updated_at": "2022-09-04T14:37:56.257614Z",
"structure_string": "Hg6 Au2\n1.0\n2.995358 -5.188114 0.000000\n2.995358 5.188114 -0.000000\n-0.000000 -0.000000 5.924907\nHg Au\n6 2\ndirect\n0.664658 0.832329 0.750000 Hg\n0.167671 0.335342 0.750000 Hg\n0.167672 0.832329 0.750000 Hg\n0.335342 0.167671 0.250000 Hg\n0.832329 0.664658 0.250000 Hg\n0.832329 0.167672 0.250000 Hg\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Au"
],
"chemical_system": "Au-Hg",
"density": 14.40498736518,
"density_atomic": 0.043443039898734895,
"volume": 184.1491759933901,
"volume_molar": 13.862153233377601,
"formula_full": "Hg6 Au2",
"formula_reduced": "Hg3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16443",
"created_at": "2022-09-04T14:37:59.050996Z",
"updated_at": "2022-09-04T14:37:59.051022Z",
"structure_string": "Er2 Au2\n1.0\n3.496579 0.000000 -1.180621\n-0.000000 4.601323 0.000000\n-0.013787 -0.000000 5.727287\nEr Au\n2 2\ndirect\n0.138563 0.750000 0.277127 Er\n0.861436 0.250000 0.722873 Er\n0.408847 0.750000 0.817696 Au\n0.591153 0.250000 0.182305 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Au"
],
"chemical_system": "Au-Er",
"density": 13.137951462243805,
"density_atomic": 0.04344483186517953,
"volume": 92.07079020153715,
"volume_molar": 13.861581461952136,
"formula_full": "Er2 Au2",
"formula_reduced": "ErAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.1144537849999998,
"spacegroup": 63
},
{
"id": "jvasp-12731",
"created_at": "2022-09-04T14:37:06.843280Z",
"updated_at": "2022-09-04T14:37:06.843295Z",
"structure_string": "Na2 Mn2 Cl6\n1.0\n5.845374 -0.008193 4.261165\n2.162413 5.430694 4.261164\n-0.012099 -0.008192 7.233655\nNa Mn Cl\n2 2 6\ndirect\n0.853211 0.853213 0.853213 Na\n0.146787 0.146787 0.146787 Na\n0.659031 0.659032 0.659032 Mn\n0.340967 0.340968 0.340968 Mn\n0.931959 0.551684 0.282655 Cl\n0.282655 0.931960 0.551685 Cl\n0.448315 0.717344 0.068040 Cl\n0.068039 0.448316 0.717345 Cl\n0.717344 0.068040 0.448316 Cl\n0.551683 0.282656 0.931961 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Na",
"density": 2.6590913217388894,
"density_atomic": 0.04344701030647155,
"volume": 230.16543438687364,
"volume_molar": 13.860886439642973,
"formula_full": "Na2 Mn2 Cl6",
"formula_reduced": "NaMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5597605627298852,
"spacegroup": 148
},
{
"id": "jvasp-123441",
"created_at": "2022-09-04T14:38:54.541337Z",
"updated_at": "2022-09-04T14:38:54.541364Z",
"structure_string": "Zr1 Sn1\n1.0\n1.644474 -2.848310 0.000000\n1.644474 2.848310 0.000000\n-0.000000 0.000000 4.913452\nZr Sn\n1 1\ndirect\n0.333332 0.666665 0.750000 Zr\n0.666665 0.333332 0.250000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.573574445394902,
"density_atomic": 0.04345092398779481,
"volume": 46.02894061727645,
"volume_molar": 13.859637971546004,
"formula_full": "Zr1 Sn1",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3732831,
"spacegroup": 187
},
{
"id": "jvasp-109564",
"created_at": "2022-09-04T14:38:27.914616Z",
"updated_at": "2022-09-04T14:38:27.914647Z",
"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.2504108890494097,
"density_atomic": 0.0434526555345573,
"volume": 138.08131922405255,
"volume_molar": 13.859085678228974,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4993783833333333,
"spacegroup": 12
},
{
"id": "jvasp-3807",
"created_at": "2022-09-04T14:35:56.393887Z",
"updated_at": "2022-09-04T14:35:56.393917Z",
"structure_string": "Tm2 I2 O2\n1.0\n3.873087 0.000000 -0.000000\n0.000000 3.873087 0.000000\n-0.000000 0.000000 9.204861\nTm I O\n2 2 2\ndirect\n0.500000 0.000000 0.116412 Tm\n0.000000 0.500000 0.883588 Tm\n0.500000 0.000000 0.678099 I\n0.000000 0.500000 0.321901 I\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"I",
"O"
],
"chemical_system": "I-O-Tm",
"density": 7.500263151609921,
"density_atomic": 0.04345297449077913,
"volume": 138.0803056709782,
"volume_molar": 13.858983948907614,
"formula_full": "Tm2 I2 O2",
"formula_reduced": "TmIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0445346750000001,
"spacegroup": 129
},
{
"id": "jvasp-23050",
"created_at": "2022-09-04T14:38:19.705402Z",
"updated_at": "2022-09-04T14:38:19.705420Z",
"structure_string": "Na20 Si4 As12\n1.0\n0.000000 8.224003 0.019453\n7.507637 0.000000 0.000000\n0.000000 -8.147120 -13.437185\nNa Si As\n20 4 12\ndirect\n0.560417 0.504548 0.242224 Na\n0.833024 0.349548 0.758209 Na\n0.166976 0.849548 0.741792 Na\n0.833024 0.150452 0.258209 Na\n0.158022 0.162990 0.580827 Na\n0.841979 0.662990 0.919173 Na\n0.841979 0.837011 0.419173 Na\n0.158021 0.337010 0.080827 Na\n0.085149 0.017381 0.912133 Na\n0.914851 0.517382 0.587868 Na\n0.166976 0.650452 0.241792 Na\n0.085149 0.482619 0.412133 Na\n0.248385 0.532575 0.915893 Na\n0.751616 0.032575 0.584108 Na\n0.751615 0.467425 0.084107 Na\n0.248385 0.967425 0.415893 Na\n0.560417 0.995453 0.742224 Na\n0.914851 0.982619 0.087868 Na\n0.439583 0.495453 0.757777 Na\n0.439583 0.004548 0.257777 Na\n0.515042 0.858741 0.085917 Si\n0.484958 0.358740 0.414083 Si\n0.484958 0.141260 0.914084 Si\n0.515042 0.641260 0.585917 Si\n0.522948 0.812855 0.933711 As\n0.761801 0.238321 0.419123 As\n0.238199 0.738321 0.080877 As\n0.238199 0.761680 0.580878 As\n0.761801 0.261680 0.919123 As\n0.188474 0.264014 0.273191 As\n0.811526 0.764014 0.226809 As\n0.811526 0.735987 0.726810 As\n0.188474 0.235986 0.773191 As\n0.477052 0.187145 0.066289 As\n0.522948 0.687146 0.433711 As\n0.477052 0.312855 0.566289 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"As"
],
"chemical_system": "As-Na-Si",
"density": 2.9488201144069612,
"density_atomic": 0.04345412159421312,
"volume": 828.459963733203,
"volume_molar": 13.858618098960678,
"formula_full": "Na20 Si4 As12",
"formula_reduced": "Na5SiAs3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.8089943166666664,
"spacegroup": 14
},
{
"id": "jvasp-120899",
"created_at": "2022-09-04T14:38:53.470653Z",
"updated_at": "2022-09-04T14:38:53.470672Z",
"structure_string": "Bi1 O1\n1.0\n3.961349 0.000000 -0.000000\n-1.980674 3.430629 0.000000\n-0.000000 -0.000000 3.386611\nBi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333333 0.666667 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.117278537478969,
"density_atomic": 0.04345580710598759,
"volume": 46.02376835671356,
"volume_molar": 13.858080567488146,
"formula_full": "Bi1 O1",
"formula_reduced": "BiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7163038999999998,
"spacegroup": 187
},
{
"id": "jvasp-80020",
"created_at": "2022-09-04T14:37:14.274825Z",
"updated_at": "2022-09-04T14:37:14.274845Z",
"structure_string": "Li1 Nd2 Ir1\n1.0\n0.000000 3.583643 3.583643\n3.583643 -0.000000 3.583643\n3.583643 3.583643 0.000000\nLi Nd Ir\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.500001 Nd\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Ir"
],
"chemical_system": "Ir-Li-Nd",
"density": 8.797230849356115,
"density_atomic": 0.04345660340277909,
"volume": 92.04585003862029,
"volume_molar": 13.85782663266057,
"formula_full": "Li1 Nd2 Ir1",
"formula_reduced": "LiNd2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.031291025,
"spacegroup": 225
},
{
"id": "jvasp-119954",
"created_at": "2022-09-04T14:38:54.365775Z",
"updated_at": "2022-09-04T14:38:54.365802Z",
"structure_string": "Ba1 Mo1 O1\n1.0\n3.086271 0.000000 0.000000\n0.000000 3.086271 0.000000\n0.000000 -0.000000 7.247120\nBa Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.330807 Ba\n0.000000 0.000000 0.748022 Mo\n0.000000 0.000000 -0.011563 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 5.996243633068672,
"density_atomic": 0.04345979626865745,
"volume": 69.02931577163316,
"volume_molar": 13.856808538108766,
"formula_full": "Ba1 Mo1 O1",
"formula_reduced": "BaMoO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3985184566666664,
"spacegroup": 99
},
{
"id": "jvasp-85139",
"created_at": "2022-09-04T14:37:17.111529Z",
"updated_at": "2022-09-04T14:37:17.111540Z",
"structure_string": "Eu1 Se1\n1.0\n3.583530 0.000000 0.000000\n0.000000 3.583530 -0.000000\n-0.000000 -0.000000 3.583530\nEu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Se"
],
"chemical_system": "Eu-Se",
"density": 8.332686358994488,
"density_atomic": 0.04346071450359257,
"volume": 46.01857155005298,
"volume_molar": 13.856515772427523,
"formula_full": "Eu1 Se1",
"formula_reduced": "EuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.136746683333333,
"spacegroup": 221
},
{
"id": "jvasp-14574",
"created_at": "2022-09-04T14:36:36.936236Z",
"updated_at": "2022-09-04T14:36:36.936251Z",
"structure_string": "Er1 Se1\n1.0\n3.483478 0.000000 2.011187\n1.161159 3.284255 2.011187\n0.000000 0.000000 4.022375\nEr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500001 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 8.884605770631346,
"density_atomic": 0.04346077806045853,
"volume": 46.01850425268017,
"volume_molar": 13.856495508714929,
"formula_full": "Er1 Se1",
"formula_reduced": "ErSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0399566833333333,
"spacegroup": 225
}
]
}