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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=871",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=869",
"results": [
{
"id": "jvasp-55695",
"created_at": "2022-09-04T14:38:12.057868Z",
"updated_at": "2022-09-04T14:38:12.057884Z",
"structure_string": "Sr7 H12 Br2\n1.0\n5.020329 -8.695465 -0.000000\n5.020329 8.695465 0.000000\n0.000000 -0.000000 3.995762\nSr H Br\n7 12 2\ndirect\n0.049633 0.776474 0.500000 Sr\n0.925671 0.359625 0.000000 Sr\n0.433954 0.074329 0.000000 Sr\n0.640375 0.566046 0.000000 Sr\n0.333333 0.666667 0.000000 Sr\n0.223527 0.273159 0.500000 Sr\n0.726841 0.950367 0.500000 Sr\n0.695785 0.090924 0.000000 H\n0.395140 0.304215 0.000000 H\n0.909076 0.604860 0.000000 H\n0.211936 0.820019 0.000000 H\n0.179981 0.391917 0.000000 H\n0.608083 0.788064 0.000000 H\n0.944374 0.227028 0.500000 H\n0.282654 0.055626 0.500000 H\n0.119390 0.561834 0.500000 H\n0.438167 0.557557 0.500000 H\n0.442443 0.880610 0.500000 H\n0.772972 0.717346 0.500000 H\n0.000000 0.000000 0.000000 Br\n0.666667 0.333333 0.500000 Br\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"H",
"Br"
],
"chemical_system": "Br-H-Sr",
"density": 3.7376508322633737,
"density_atomic": 0.060195592894394925,
"volume": 348.86274875374477,
"volume_molar": 10.004288471026504,
"formula_full": "Sr7 H12 Br2",
"formula_reduced": "Sr7(H6Br)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5706639228571428,
"spacegroup": 174
},
{
"id": "jvasp-122464",
"created_at": "2022-09-04T14:38:50.386520Z",
"updated_at": "2022-09-04T14:38:50.386549Z",
"structure_string": "Sr7 Ca1 Ir2 O12\n1.0\n6.867260 0.013857 -0.100282\n-0.101959 6.866517 -0.100282\n0.013625 0.013857 6.867979\nSr Ca Ir O\n7 1 2 12\ndirect\n0.136001 0.864000 0.500000 Sr\n0.500001 0.136001 0.864000 Sr\n0.864000 0.500001 0.136001 Sr\n0.000000 0.365998 0.634003 Sr\n0.634003 0.000000 0.365998 Sr\n0.365997 0.634003 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500001 0.500000 Ca\n0.746400 0.746401 0.746400 Ir\n0.253600 0.253601 0.253600 Ir\n0.332407 0.200813 0.539872 O\n0.689941 0.823492 0.033678 O\n0.823491 0.033679 0.689941 O\n0.033678 0.689942 0.823491 O\n0.310059 0.966323 0.176509 O\n0.460128 0.799188 0.667594 O\n0.176510 0.310059 0.966322 O\n0.799188 0.667595 0.460128 O\n0.667594 0.460129 0.799188 O\n0.539872 0.332407 0.200813 O\n0.966322 0.176510 0.310059 O\n0.200813 0.539873 0.332406 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O-Sr",
"density": 6.305389281102303,
"density_atomic": 0.06792586510357587,
"volume": 323.8825146570248,
"volume_molar": 8.865754968033484,
"formula_full": "Sr7 Ca1 Ir2 O12",
"formula_reduced": "Sr7Ca(IrO6)2",
"formula_anonymous": "AB2C7D12",
"energy_above_hull": 1.8342081268181816,
"spacegroup": 155
},
{
"id": "jvasp-117057",
"created_at": "2022-09-04T14:38:48.221941Z",
"updated_at": "2022-09-04T14:38:48.221969Z",
"structure_string": "Sr6 Zr6 N10\n1.0\n5.908171 0.008828 -1.194319\n-2.515188 7.449002 -2.904621\n0.028110 -0.035135 9.021639\nSr Zr N\n6 6 10\ndirect\n0.746612 0.438958 0.591817 Sr\n0.253387 0.561042 0.408184 Sr\n0.645801 0.800642 0.898589 Sr\n0.354199 0.199358 0.101412 Sr\n0.728857 0.687080 0.253361 Sr\n0.271142 0.312921 0.746640 Sr\n0.891442 0.132783 0.297614 Zr\n0.332124 0.013292 0.358981 Zr\n0.108557 0.867218 0.702387 Zr\n0.123589 0.684122 0.005614 Zr\n0.876410 0.315879 0.994387 Zr\n0.667876 0.986708 0.641019 Zr\n0.180700 0.666295 0.776528 N\n0.995282 0.093601 0.843779 N\n0.004717 0.906399 0.156222 N\n0.731040 0.737493 0.562928 N\n0.268960 0.262508 0.437072 N\n0.763872 0.502117 0.913325 N\n0.236128 0.497884 0.086675 N\n0.271320 0.899055 0.524413 N\n0.728680 0.100945 0.475587 N\n0.819300 0.333705 0.223472 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Zr",
"N"
],
"chemical_system": "N-Sr-Zr",
"density": 5.076956006297928,
"density_atomic": 0.05544588026206779,
"volume": 396.7833118712495,
"volume_molar": 10.86129525139838,
"formula_full": "Sr6 Zr6 N10",
"formula_reduced": "Sr3Zr3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 3.9512880618181816,
"spacegroup": 2
},
{
"id": "jvasp-112643",
"created_at": "2022-09-04T14:38:41.584226Z",
"updated_at": "2022-09-04T14:38:41.584255Z",
"structure_string": "Sr6 Zr2 Ti4 O18\n1.0\n5.523316 -0.017177 1.254556\n-0.355629 5.511882 1.254556\n-0.001124 -0.001195 12.567586\nSr Zr Ti O\n6 2 4 18\ndirect\n0.419419 0.920587 0.160613 Sr\n0.079413 0.580582 0.839387 Sr\n0.751601 0.248400 0.500000 Sr\n0.580582 0.079413 0.839387 Sr\n0.248401 0.751600 0.500000 Sr\n0.920588 0.419418 0.160613 Sr\n0.334388 0.334387 0.333661 Zr\n0.665613 0.665613 0.666340 Zr\n0.000000 0.000000 0.000000 Ti\n0.165307 0.165307 0.671127 Ti\n0.834694 0.834693 0.328873 Ti\n0.500000 0.500000 0.000000 Ti\n0.750382 0.249618 0.000000 O\n0.921625 0.406907 0.668686 O\n0.593093 0.078376 0.331315 O\n0.249619 0.750381 0.000000 O\n0.063092 0.063092 0.359056 O\n0.392748 0.392748 0.698308 O\n0.739053 0.739052 0.022877 O\n0.607253 0.607252 0.301693 O\n0.955541 0.955540 0.163457 O\n0.260948 0.260948 0.977124 O\n0.709886 0.709886 0.494006 O\n0.044460 0.044460 0.836544 O\n0.381486 0.381485 0.160053 O\n0.078376 0.593093 0.331315 O\n0.290115 0.290114 0.505995 O\n0.618515 0.618515 0.839947 O\n0.936909 0.936908 0.640944 O\n0.406908 0.921624 0.668686 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.1551953496551715,
"density_atomic": 0.07842199387058171,
"volume": 382.54574411240316,
"volume_molar": 7.679147727279444,
"formula_full": "Sr6 Zr2 Ti4 O18",
"formula_reduced": "Sr3ZrTi2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.416188773111111,
"spacegroup": 12
},
{
"id": "jvasp-23090",
"created_at": "2022-09-04T14:37:31.331125Z",
"updated_at": "2022-09-04T14:37:31.331144Z",
"structure_string": "Sr6 Zn2 Rh2 O12\n1.0\n6.699790 0.020373 -0.238839\n-0.248230 6.695221 -0.238839\n0.019572 0.020373 6.704016\nSr Zn Rh O\n6 2 2 12\ndirect\n0.884693 0.249999 0.615307 Sr\n0.384693 0.115306 0.750000 Sr\n0.750000 0.384693 0.115307 Sr\n0.115307 0.750000 0.384693 Sr\n0.615307 0.884693 0.250000 Sr\n0.250000 0.615306 0.884693 Sr\n0.750000 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.091920 0.285638 0.959059 O\n0.785639 0.591920 0.459058 O\n0.540942 0.214361 0.408080 O\n0.408079 0.540941 0.214361 O\n0.214361 0.408079 0.540942 O\n0.714361 0.040941 0.908080 O\n0.908079 0.714361 0.040942 O\n0.040941 0.908079 0.714361 O\n0.459058 0.785638 0.591921 O\n0.591920 0.459058 0.785639 O\n0.959058 0.091920 0.285639 O\n0.285639 0.959058 0.091920 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Zn",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Zn",
"density": 5.820047734243061,
"density_atomic": 0.07313389522715938,
"volume": 300.8181080970232,
"volume_molar": 8.234404500532587,
"formula_full": "Sr6 Zn2 Rh2 O12",
"formula_reduced": "Sr3ZnRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.341675757272727,
"spacegroup": 167
},
{
"id": "jvasp-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Pt",
"O"
],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3149383390909088,
"spacegroup": 167
},
{
"id": "jvasp-21417",
"created_at": "2022-09-04T14:36:53.395438Z",
"updated_at": "2022-09-04T14:36:53.395455Z",
"structure_string": "Sr6 Zn2 Ir2 O12\n1.0\n6.730047 0.035891 -0.193457\n-0.200125 6.727167 -0.193457\n0.034654 0.035891 6.732738\nSr Zn Ir O\n6 2 2 12\ndirect\n0.613751 0.886249 0.249999 Sr\n0.249999 0.613752 0.886248 Sr\n0.886248 0.250000 0.613751 Sr\n0.386248 0.113752 0.750000 Sr\n0.750000 0.386248 0.113751 Sr\n0.113751 0.750000 0.386248 Sr\n0.749999 0.750000 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.093921 0.286199 0.959533 O\n0.786199 0.593921 0.459532 O\n0.540467 0.213801 0.406078 O\n0.406078 0.540467 0.213800 O\n0.213800 0.406079 0.540467 O\n0.713801 0.040467 0.906079 O\n0.906079 0.713801 0.040466 O\n0.040466 0.906079 0.713801 O\n0.459532 0.786199 0.593921 O\n0.593921 0.459533 0.786199 O\n0.959533 0.093921 0.286199 O\n0.286199 0.959533 0.093921 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr-Zn",
"density": 6.713614968967091,
"density_atomic": 0.07214053118481273,
"volume": 304.9603272762083,
"volume_molar": 8.347790986695426,
"formula_full": "Sr6 Zn2 Ir2 O12",
"formula_reduced": "Sr3ZnIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.5341846754545452,
"spacegroup": 167
},
{
"id": "jvasp-116546",
"created_at": "2022-09-04T14:38:43.456295Z",
"updated_at": "2022-09-04T14:38:43.456319Z",
"structure_string": "Sr6 Zn2 Co2 O12\n1.0\n6.594155 0.017415 -0.293067\n-0.307152 6.587021 -0.293067\n0.016578 0.017415 6.600645\nSr Zn Co O\n6 2 2 12\ndirect\n0.884659 0.615341 0.249999 Sr\n0.250001 0.884657 0.615341 Sr\n0.615343 0.249999 0.884657 Sr\n0.750001 0.115341 0.384657 Sr\n0.384658 0.750000 0.115342 Sr\n0.115343 0.384657 0.749999 Sr\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n0.500001 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.087505 0.958431 0.276401 O\n0.458432 0.587504 0.776401 O\n0.587506 0.776401 0.458431 O\n0.776403 0.458431 0.587504 O\n0.041569 0.723597 0.912494 O\n0.223598 0.541568 0.412494 O\n0.912496 0.041567 0.723597 O\n0.541569 0.412495 0.223597 O\n0.412496 0.223597 0.541568 O\n0.276403 0.087504 0.958431 O\n0.723599 0.912494 0.041568 O\n0.958432 0.276401 0.087504 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Co",
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],
"chemical_system": "Co-O-Sr-Zn",
"density": 5.595192362963446,
"density_atomic": 0.07670663777645273,
"volume": 286.8069913859987,
"volume_molar": 7.850873059448144,
"formula_full": "Sr6 Zn2 Co2 O12",
"formula_reduced": "Sr3ZnCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3790292027272726,
"spacegroup": 167
},
{
"id": "jvasp-23047",
"created_at": "2022-09-04T14:38:06.439965Z",
"updated_at": "2022-09-04T14:38:06.439996Z",
"structure_string": "Sr6 Yb2 Rh2 O12\n1.0\n6.772907 0.025505 -0.234436\n-0.243570 6.768574 -0.234436\n0.024512 0.025505 6.776919\nYb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.750000 0.384174 0.115826 Sr\n0.115826 0.750000 0.384173 Sr\n0.384174 0.115827 0.750000 Sr\n0.884174 0.250001 0.615826 Sr\n0.250000 0.615827 0.884173 Sr\n0.615827 0.884174 0.249999 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.499999 Rh\n0.084188 0.286305 0.951489 O\n0.786305 0.584189 0.451489 O\n0.548511 0.213696 0.415812 O\n0.415812 0.548511 0.213695 O\n0.213696 0.415812 0.548510 O\n0.713696 0.048512 0.915812 O\n0.915812 0.713696 0.048510 O\n0.048511 0.915812 0.713695 O\n0.451489 0.786305 0.584187 O\n0.584188 0.451490 0.786304 O\n0.951490 0.084189 0.286304 O\n0.286305 0.951489 0.084187 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Yb",
"density": 6.783301011673562,
"density_atomic": 0.07078585126517743,
"volume": 310.7965731397898,
"volume_molar": 8.507548687152042,
"formula_full": "Sr6 Yb2 Rh2 O12",
"formula_reduced": "Sr3YbRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3917085118181816,
"spacegroup": 167
},
{
"id": "jvasp-102129",
"created_at": "2022-09-04T14:36:42.187199Z",
"updated_at": "2022-09-04T14:36:42.187229Z",
"structure_string": "Sr6 Yb2\n1.0\n8.209185 0.000000 -0.000000\n-4.104593 7.109363 0.000000\n-0.000000 0.000000 6.740644\nYb Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168008 0.336017 0.250000 Sr\n0.663983 0.831991 0.250000 Sr\n0.168009 0.831991 0.250000 Sr\n0.831991 0.663983 0.750000 Sr\n0.336017 0.168008 0.750000 Sr\n0.831991 0.168008 0.750000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sr-Yb",
"density": 3.6798815421159583,
"density_atomic": 0.02033564086662671,
"volume": 393.3979780853125,
"volume_molar": 29.61372498411434,
"formula_full": "Sr6 Yb2",
"formula_reduced": "Sr3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001749999999999,
"spacegroup": 194
},
{
"id": "jvasp-119685",
"created_at": "2022-09-04T14:38:36.794301Z",
"updated_at": "2022-09-04T14:38:36.794334Z",
"structure_string": "Sr6 Y4 N8\n1.0\n7.643741 0.032064 -0.172939\n-7.274635 7.602826 -0.000001\n-0.039065 -0.037379 6.457171\nSr Y N\n6 4 8\ndirect\n0.222161 0.919956 0.077929 Sr\n0.777838 0.697794 0.422071 Sr\n0.777837 0.080044 0.922071 Sr\n0.222161 0.302206 0.577929 Sr\n-0.000001 0.588148 0.750000 Sr\n-0.000000 0.411852 0.250000 Sr\n0.525373 0.369082 0.091526 Y\n0.474626 0.843709 0.408474 Y\n0.525372 0.156290 0.591526 Y\n0.474626 0.630918 0.908473 Y\n0.379317 0.769943 0.063484 N\n0.213750 0.867665 0.498750 N\n0.786249 0.653913 0.001250 N\n0.786249 0.132335 0.501250 N\n0.213750 0.346087 0.998750 N\n0.620681 0.230057 0.936516 N\n0.379317 0.609375 0.563484 N\n0.620682 0.390625 0.436516 N\n",
"nsites": 18,
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"elements": [
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"Y",
"N"
],
"chemical_system": "N-Sr-Y",
"density": 4.379478698357608,
"density_atomic": 0.047788454097285986,
"volume": 376.6600184085524,
"volume_molar": 12.601664719558299,
"formula_full": "Sr6 Y4 N8",
"formula_reduced": "Sr3Y2N4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.1269103144444443,
"spacegroup": 15
},
{
"id": "jvasp-55255",
"created_at": "2022-09-04T14:38:37.017142Z",
"updated_at": "2022-09-04T14:38:37.017158Z",
"structure_string": "Sr6 Y2 Rh2 O12\n1.0\n6.814586 0.004959 -0.239881\n-0.248648 6.810050 -0.239881\n0.004778 0.004959 6.818805\nSr Y Rh O\n6 2 2 12\ndirect\n0.250000 0.619773 0.880226 Sr\n0.380227 0.119773 0.750000 Sr\n0.750000 0.380227 0.119773 Sr\n0.119773 0.750000 0.380227 Sr\n0.619773 0.880227 0.250000 Sr\n0.880227 0.250000 0.619773 Sr\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.089662 0.292131 0.955910 O\n0.792132 0.589662 0.455911 O\n0.544089 0.207869 0.410338 O\n0.410338 0.544089 0.207869 O\n0.207869 0.410338 0.544089 O\n0.707869 0.044089 0.910338 O\n0.910339 0.707869 0.044089 O\n0.044089 0.910338 0.707868 O\n0.455911 0.792131 0.589661 O\n0.589662 0.455911 0.792131 O\n0.955912 0.089662 0.292131 O\n0.292131 0.955911 0.089662 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Y",
"density": 5.778790019256942,
"density_atomic": 0.06951697393486773,
"volume": 316.46947147918684,
"volume_molar": 8.662835015865767,
"formula_full": "Sr6 Y2 Rh2 O12",
"formula_reduced": "Sr3YRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7860298527272722,
"spacegroup": 167
}
]
}