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=nsites&page=3386",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3384",
"results": [
{
"id": "jvasp-42082",
"created_at": "2022-09-04T14:37:39.515515Z",
"updated_at": "2022-09-04T14:37:39.515537Z",
"structure_string": "K2 P2 Au2 Se6\n1.0\n-6.069460 -3.638826 0.027270\n-6.069460 3.638826 0.027270\n3.434581 0.000000 -7.422577\nK P Au Se\n2 2 2 6\ndirect\n0.301709 0.301709 0.253322 K\n0.698291 0.698291 0.746678 K\n0.977405 0.977405 0.350039 P\n0.022595 0.022595 0.649961 P\n0.738850 0.261152 -0.000000 Au\n0.261152 0.738850 -0.000000 Au\n0.781941 0.781941 0.194774 Se\n0.824545 0.332477 0.328600 Se\n0.332477 0.824545 0.328600 Se\n0.667523 0.175455 0.671401 Se\n0.175455 0.667523 0.671401 Se\n0.218060 0.218060 0.805226 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"Au",
"Se"
],
"chemical_system": "Au-K-P-Se",
"density": 5.115019526931388,
"density_atomic": 0.03667659701033092,
"volume": 327.18411679851016,
"volume_molar": 16.419573381640905,
"formula_full": "K2 P2 Au2 Se6",
"formula_reduced": "KPAuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.150550195,
"spacegroup": 12
},
{
"id": "jvasp-23526",
"created_at": "2022-09-04T14:37:38.463436Z",
"updated_at": "2022-09-04T14:37:38.463468Z",
"structure_string": "Y4 Si4 Ru4\n1.0\n4.341200 -0.000000 0.000000\n0.000000 7.003505 0.000000\n0.000000 0.000000 7.142420\nY Si Ru\n4 4 4\ndirect\n0.750000 0.013548 0.186755 Y\n0.250000 0.486451 0.686755 Y\n0.750000 0.513548 0.313245 Y\n0.250000 0.986451 0.813245 Y\n0.250000 0.304171 0.105486 Si\n0.250000 0.804171 0.394515 Si\n0.750000 0.695828 0.894515 Si\n0.750000 0.195829 0.605486 Si\n0.250000 0.654401 0.067386 Ru\n0.250000 0.154401 0.432615 Ru\n0.750000 0.845598 0.567386 Ru\n0.750000 0.345599 0.932615 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Y",
"density": 6.669866833850042,
"density_atomic": 0.055259967350171815,
"volume": 217.1553943193325,
"volume_molar": 10.897836261536039,
"formula_full": "Y4 Si4 Ru4",
"formula_reduced": "YSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8480515166666667,
"spacegroup": 62
},
{
"id": "jvasp-23513",
"created_at": "2022-09-04T14:37:44.475314Z",
"updated_at": "2022-09-04T14:37:44.475335Z",
"structure_string": "Mn4 Si4 Ni4\n1.0\n3.664649 0.000000 0.000000\n-0.000000 5.372011 0.000000\n0.000000 0.000000 6.909238\nMn Si Ni\n4 4 4\ndirect\n0.750000 0.468230 0.308404 Mn\n0.250000 0.031770 0.808405 Mn\n0.750000 0.968230 0.191596 Mn\n0.250000 0.531770 0.691596 Mn\n0.250000 0.236332 0.119509 Si\n0.250000 0.736332 0.380491 Si\n0.750000 0.763668 0.880491 Si\n0.750000 0.263668 0.619509 Si\n0.250000 0.654228 0.059843 Ni\n0.250000 0.154228 0.440158 Ni\n0.750000 0.845772 0.559843 Ni\n0.750000 0.345772 0.940158 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 6.920403864623416,
"density_atomic": 0.08822299874558913,
"volume": 136.01895390797927,
"volume_molar": 6.82604405384836,
"formula_full": "Mn4 Si4 Ni4",
"formula_reduced": "MnSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.398899413793104,
"spacegroup": 62
},
{
"id": "jvasp-29151",
"created_at": "2022-09-04T14:37:39.222120Z",
"updated_at": "2022-09-04T14:37:39.222146Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.444021 -0.000009 0.000033\n-1.722018 2.982620 -0.000141\n0.000357 -0.001550 36.292358\nTe Mo W Se\n4 2 2 4\ndirect\n0.333327 0.666733 0.716705 Te\n0.666650 0.333279 0.413714 Te\n0.666699 0.333424 0.516691 Te\n0.333306 0.666667 0.614286 Te\n0.333342 0.666624 0.096705 Mo\n0.666654 0.333370 0.665541 Mo\n0.333337 0.666681 0.465192 W\n0.666663 0.333316 0.275479 W\n0.333340 0.666695 0.320738 Se\n0.666668 0.333248 0.051692 Se\n0.666699 0.333355 0.141765 Se\n0.333310 0.666607 0.230241 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.1726465212526325,
"density_atomic": 0.03218866753547731,
"volume": 372.8020113530324,
"volume_molar": 18.70888489982566,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3787163611111115,
"spacegroup": 156
},
{
"id": "jvasp-35137",
"created_at": "2022-09-04T14:37:34.326040Z",
"updated_at": "2022-09-04T14:37:34.326067Z",
"structure_string": "Ce2 Zr2 O8\n1.0\n5.283148 0.000000 0.000000\n0.000000 5.361282 0.000000\n0.000000 0.000000 5.361403\nCe Zr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.743717 0.786017 0.713994 O\n0.743717 0.286017 0.786005 O\n0.743717 0.213982 0.286005 O\n0.743717 0.713982 0.213995 O\n0.256284 0.213982 0.713994 O\n0.256284 0.713982 0.786005 O\n0.256284 0.786017 0.286005 O\n0.256284 0.286017 0.213995 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.458890963545459,
"density_atomic": 0.07902078952914467,
"volume": 151.8587712360698,
"volume_molar": 7.620957466868763,
"formula_full": "Ce2 Zr2 O8",
"formula_reduced": "CeZrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3743473333333336,
"spacegroup": 125
},
{
"id": "jvasp-28870",
"created_at": "2022-09-04T14:37:45.858637Z",
"updated_at": "2022-09-04T14:37:45.858661Z",
"structure_string": "W4 Se4 S4\n1.0\n3.258950 -0.000000 -0.000000\n-1.629475 2.822394 -0.000477\n0.000001 0.010783 25.786299\nW Se S\n4 4 4\ndirect\n0.332663 0.665323 0.005287 W\n0.334294 0.668588 0.496217 W\n0.665706 0.331410 0.255241 W\n0.667337 0.334675 0.746171 W\n0.333930 0.667856 0.812421 Se\n0.666071 0.332141 -0.060963 Se\n0.665912 0.331823 0.071524 Se\n0.334088 0.668175 0.679934 Se\n0.332318 0.664634 0.315458 S\n0.667682 0.335364 0.436000 S\n0.667570 0.335137 0.556454 S\n0.332431 0.664860 0.195004 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 8.257487632449548,
"density_atomic": 0.05059374920430214,
"volume": 237.1834503021888,
"volume_molar": 11.902934363852044,
"formula_full": "W4 Se4 S4",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1330544555555546,
"spacegroup": 164
},
{
"id": "jvasp-23377",
"created_at": "2022-09-04T14:37:35.882156Z",
"updated_at": "2022-09-04T14:37:35.882169Z",
"structure_string": "Zr4 Mn4 P4\n1.0\n3.808388 -0.000000 0.000000\n0.000000 6.279185 0.000000\n0.000000 0.000000 7.222657\nZr Mn P\n4 4 4\ndirect\n0.250000 0.516363 0.684311 Zr\n0.250000 0.016363 0.815690 Zr\n0.750000 0.983638 0.184310 Zr\n0.750000 0.483638 0.315690 Zr\n0.750000 0.348605 0.938242 Mn\n0.250000 0.151395 0.438242 Mn\n0.750000 0.848606 0.561759 Mn\n0.250000 0.651396 0.061758 Mn\n0.250000 0.285805 0.116359 P\n0.250000 0.785805 0.383642 P\n0.750000 0.714196 0.883642 P\n0.750000 0.214196 0.616359 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"P"
],
"chemical_system": "Mn-P-Zr",
"density": 6.811989837967162,
"density_atomic": 0.06947679698792537,
"volume": 172.71953400623124,
"volume_molar": 8.667844548226094,
"formula_full": "Zr4 Mn4 P4",
"formula_reduced": "ZrMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.087795747126437,
"spacegroup": 62
},
{
"id": "jvasp-48471",
"created_at": "2022-09-04T14:37:41.274536Z",
"updated_at": "2022-09-04T14:37:41.274565Z",
"structure_string": "Na4 V2 O6\n1.0\n2.652907 4.594619 -0.005360\n-2.652907 4.594619 0.005360\n-1.813738 0.000000 5.339552\nNa V O\n4 2 6\ndirect\n0.157682 0.157683 0.500000 Na\n0.842317 0.842318 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667595 0.667595 0.000000 V\n0.332405 0.332405 0.000000 V\n0.308858 0.691142 0.797571 O\n0.068535 0.552708 0.200259 O\n0.447292 0.931465 0.200259 O\n0.931465 0.447292 0.799742 O\n0.552708 0.068535 0.799742 O\n0.691142 0.308858 0.202429 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.699959313513885,
"density_atomic": 0.09225141956868003,
"volume": 130.0792991165426,
"volume_molar": 6.527965410349694,
"formula_full": "Na4 V2 O6",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5072987833333331,
"spacegroup": 12
},
{
"id": "jvasp-58425",
"created_at": "2022-09-04T14:37:32.896894Z",
"updated_at": "2022-09-04T14:37:32.896926Z",
"structure_string": "U4 Cr6 Si2\n1.0\n2.567122 -4.446385 0.000000\n2.567122 4.446385 0.000000\n0.000000 -0.000000 8.053991\nU Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.913955 U\n0.666667 0.333333 0.413955 U\n0.666667 0.333333 0.086045 U\n0.333333 0.666667 0.586045 U\n0.346189 0.173095 0.750000 Cr\n0.826905 0.173095 0.750000 Cr\n0.826905 0.653811 0.750000 Cr\n0.173095 0.826905 0.250000 Cr\n0.173095 0.346189 0.250000 Cr\n0.653811 0.826905 0.250000 Cr\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-U",
"density": 11.923806518230867,
"density_atomic": 0.06526593100261432,
"volume": 183.86315518151918,
"volume_molar": 9.227081675673599,
"formula_full": "U4 Cr6 Si2",
"formula_reduced": "U2Cr3Si",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.4303738,
"spacegroup": 194
},
{
"id": "jvasp-29071",
"created_at": "2022-09-04T14:37:35.117419Z",
"updated_at": "2022-09-04T14:37:35.117436Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.440796 -0.000000 0.000000\n-1.720398 2.979784 -0.000005\n0.000000 -0.000188 35.751207\nTe Mo W Se\n4 2 2 4\ndirect\n0.333420 0.666843 0.336800 Te\n0.666945 0.333889 0.029659 Te\n0.666907 0.333811 0.133680 Te\n0.333492 0.666986 0.232745 Te\n0.333599 0.667200 0.081616 Mo\n0.666785 0.333569 0.284786 Mo\n0.333243 0.666485 0.477231 W\n0.666357 0.332714 0.659286 W\n0.333009 0.666017 0.705192 Se\n0.666605 0.333209 0.431268 Se\n0.666561 0.333121 0.523159 Se\n0.333072 0.666146 0.613327 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.277912195923232,
"density_atomic": 0.03273759930942604,
"volume": 366.55100719449746,
"volume_molar": 18.395181342041973,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3757380277777784,
"spacegroup": 156
},
{
"id": "jvasp-23424",
"created_at": "2022-09-04T14:37:35.119104Z",
"updated_at": "2022-09-04T14:37:35.119119Z",
"structure_string": "Ta4 Si4 Rh4\n1.0\n3.773574 0.000000 0.000000\n0.000000 6.423671 0.000000\n0.000000 0.000000 7.349023\nTa Si Rh\n4 4 4\ndirect\n0.250000 0.525695 0.672898 Ta\n0.749999 0.474305 0.327102 Ta\n0.250000 0.025695 0.827101 Ta\n0.749999 0.974305 0.172898 Ta\n0.250000 0.267181 0.124441 Si\n0.749999 0.732819 0.875559 Si\n0.250000 0.767181 0.375559 Si\n0.749999 0.232819 0.624440 Si\n0.749999 0.854966 0.564041 Rh\n0.250000 0.145033 0.435958 Rh\n0.749999 0.354967 0.935958 Rh\n0.250000 0.645033 0.064041 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Ta",
"density": 11.630886832859677,
"density_atomic": 0.06736207845778976,
"volume": 178.14177167231276,
"volume_molar": 8.939956868720401,
"formula_full": "Ta4 Si4 Rh4",
"formula_reduced": "TaSiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5221202666666667,
"spacegroup": 62
},
{
"id": "jvasp-23501",
"created_at": "2022-09-04T14:37:35.823792Z",
"updated_at": "2022-09-04T14:37:35.823810Z",
"structure_string": "Tm4 Ge4 Ru4\n1.0\n4.383496 0.000000 0.000000\n0.000000 6.925172 0.000000\n0.000000 0.000000 7.226842\nTm Ge Ru\n4 4 4\ndirect\n0.250000 0.988257 0.807374 Tm\n0.750001 0.011743 0.192625 Tm\n0.250000 0.488257 0.692625 Tm\n0.750001 0.511742 0.307375 Tm\n0.250000 0.293772 0.107122 Ge\n0.750001 0.706228 0.892878 Ge\n0.250000 0.793772 0.392878 Ge\n0.750001 0.206228 0.607122 Ge\n0.750001 0.842398 0.562220 Ru\n0.250000 0.157602 0.437780 Ru\n0.750001 0.342398 0.937780 Ru\n0.250000 0.657602 0.062220 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Tm",
"density": 10.374155356933718,
"density_atomic": 0.0546992670739886,
"volume": 219.38136728172753,
"volume_molar": 11.00954561576518,
"formula_full": "Tm4 Ge4 Ru4",
"formula_reduced": "TmGeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7262635666666666,
"spacegroup": 62
}
]
}