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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=49",
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"results": [
{
"id": "jvasp-34221",
"created_at": "2022-09-04T14:36:31.829193Z",
"updated_at": "2022-09-04T14:36:31.829228Z",
"structure_string": "Li1 Ge1 B1 O4\n1.0\n3.352253 0.059060 -1.877124\n-0.950210 3.215387 -1.877198\n0.771606 1.051688 5.484526\nLi Ge B O\n1 1 1 4\ndirect\n0.006472 0.006470 0.012951 Li\n0.272358 0.272361 0.544716 Ge\n0.747098 0.747099 0.494196 B\n0.641696 0.641694 0.700646 O\n0.891033 0.434393 0.325424 O\n0.058953 0.058953 0.700648 O\n0.434392 0.891034 0.325424 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-Li-O",
"density": 3.5366286190503082,
"density_atomic": 0.09656513623319106,
"volume": 72.48993035225463,
"volume_molar": 6.23635091805534,
"formula_full": "Li1 Ge1 B1 O4",
"formula_reduced": "LiGeBO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 42
},
{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Sn",
"S"
],
"chemical_system": "Ba-Cd-S-Sn",
"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
"volume": 1593.3276673416583,
"volume_molar": 17.134363374167716,
"formula_full": "Ba8 Cd8 Sn8 S32",
"formula_reduced": "BaCdSnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7968096314285713,
"spacegroup": 43
},
{
"id": "jvasp-119264",
"created_at": "2022-09-04T14:38:28.818328Z",
"updated_at": "2022-09-04T14:38:28.818356Z",
"structure_string": "Sr2 Y2 Co2 O8\n1.0\n3.584498 0.004411 -1.059301\n-0.636030 7.139522 -2.122864\n-0.008174 -0.004901 6.566946\nSr Y Co O\n2 2 2 8\ndirect\n0.643359 0.321681 0.286725 Sr\n0.643379 0.821677 0.286717 Sr\n0.363333 0.681613 0.726505 Y\n0.363180 0.181607 0.726512 Y\n0.007168 0.003586 0.014326 Co\n0.007151 0.503583 0.014313 Co\n0.840723 0.420404 0.681483 O\n0.840758 0.920382 0.681487 O\n0.174129 0.587056 0.348230 O\n0.174103 0.087060 0.348245 O\n0.485677 0.492824 0.971358 O\n0.485690 0.992836 0.971378 O\n0.985753 0.742847 0.971375 O\n0.985609 0.242841 0.971356 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Y",
"density": 5.920645098255594,
"density_atomic": 0.08334585705658516,
"volume": 167.9747559677156,
"volume_molar": 7.225483032601668,
"formula_full": "Sr2 Y2 Co2 O8",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1069495228571427,
"spacegroup": 107
},
{
"id": "jvasp-119682",
"created_at": "2022-09-04T14:38:52.799609Z",
"updated_at": "2022-09-04T14:38:52.799629Z",
"structure_string": "Y2 Mg2 Ti2 S8\n1.0\n6.647544 0.000416 3.938287\n2.141239 6.118639 3.964786\n-0.011464 0.020991 7.598773\nY Mg Ti S\n2 2 2 8\ndirect\n0.500001 0.500001 0.499998 Y\n0.000002 0.499997 0.500001 Y\n0.878038 0.871957 0.871960 Mg\n0.121961 0.128045 0.128043 Mg\n0.500000 0.500003 0.999997 Ti\n0.500001 0.999997 0.500003 Ti\n0.723778 0.751889 0.751892 S\n0.267891 0.231238 0.732988 S\n0.267886 0.732991 0.231234 S\n0.727559 0.248109 0.248108 S\n0.732112 0.267011 0.768765 S\n0.272440 0.751892 0.751891 S\n0.276225 0.248110 0.248109 S\n0.732112 0.768761 0.267014 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti-Y",
"density": 3.1101037155016797,
"density_atomic": 0.04531255641664523,
"volume": 308.96513256217884,
"volume_molar": 13.290225130153575,
"formula_full": "Y2 Mg2 Ti2 S8",
"formula_reduced": "YMgTiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.94416611904762,
"spacegroup": 74
},
{
"id": "jvasp-43016",
"created_at": "2022-09-04T14:38:16.332393Z",
"updated_at": "2022-09-04T14:38:16.332417Z",
"structure_string": "Li2 Fe2 Ni2 O8\n1.0\n5.742663 0.000000 0.000000\n2.871331 4.949848 0.083718\n2.871331 1.728880 4.638856\nLi Fe Ni O\n2 2 2 8\ndirect\n0.123170 0.126830 0.126830 Li\n0.876829 0.873170 0.873171 Li\n0.500000 -0.000000 0.500000 Fe\n0.499999 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500001 Ni\n0.499999 0.500000 0.500001 Ni\n0.264127 0.262762 0.262763 O\n0.267874 0.253887 0.710364 O\n0.267874 0.710363 0.253888 O\n0.710348 0.262762 0.262763 O\n0.289651 0.737238 0.737239 O\n0.732124 0.746113 0.289637 O\n0.732124 0.289636 0.746114 O\n0.735872 0.737238 0.737239 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.701098007765972,
"density_atomic": 0.10684597959517392,
"volume": 131.02973132956666,
"volume_molar": 5.6362820415116595,
"formula_full": "Li2 Fe2 Ni2 O8",
"formula_reduced": "LiFeNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1988331285714287,
"spacegroup": 74
},
{
"id": "jvasp-111852",
"created_at": "2022-09-04T14:38:53.638659Z",
"updated_at": "2022-09-04T14:38:53.638694Z",
"structure_string": "Dy2 Mg2 Mn2 S8\n1.0\n6.587107 -0.163637 4.068159\n2.172711 6.066658 3.716712\n0.063376 -0.125871 7.642337\nDy Mg Mn S\n2 2 2 8\ndirect\n0.500001 0.500000 0.499998 Dy\n-0.000000 0.499999 0.500001 Dy\n0.871546 0.878454 0.878458 Mg\n0.128457 0.121545 0.121542 Mg\n0.500001 0.499999 0.000000 Mn\n0.500003 -0.000002 0.500001 Mn\n0.716334 0.745985 0.768466 S\n0.259366 0.234250 0.725754 S\n0.280631 0.725744 0.234254 S\n0.730784 0.231535 0.254015 S\n0.719368 0.274254 0.765747 S\n0.269218 0.768466 0.745982 S\n0.283666 0.254017 0.231533 S\n0.740636 0.765748 0.274247 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Dy",
"Mg",
"Mn",
"S"
],
"chemical_system": "Dy-Mg-Mn-S",
"density": 3.983373870522438,
"density_atomic": 0.04538315815589415,
"volume": 308.4844812233885,
"volume_molar": 13.269549772877307,
"formula_full": "Dy2 Mg2 Mn2 S8",
"formula_reduced": "DyMgMnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8182818273399015,
"spacegroup": 15
},
{
"id": "jvasp-50638",
"created_at": "2022-09-04T14:36:50.326436Z",
"updated_at": "2022-09-04T14:36:50.326464Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n0.000000 5.719488 0.113397\n6.500173 0.000000 0.000000\n0.000000 -5.019710 -10.172592\nLi Si Bi O\n4 4 4 16\ndirect\n0.408363 0.363443 0.548616 Li\n0.591637 0.863442 0.951383 Li\n0.408363 0.136557 0.048616 Li\n0.591637 0.636557 0.451383 Li\n0.202230 0.694764 0.638930 Si\n0.202230 0.805235 0.138930 Si\n0.797770 0.194764 0.861069 Si\n0.797770 0.305235 0.361069 Si\n0.968839 0.335783 0.141046 Bi\n0.968839 0.164216 0.641046 Bi\n0.031161 0.835783 0.358954 Bi\n0.031161 0.664216 0.858954 Bi\n0.690383 0.163754 0.226248 O\n0.837897 0.531421 0.309461 O\n0.640219 0.315448 0.453044 O\n0.690382 0.336246 0.726248 O\n0.837897 0.968578 0.809461 O\n0.359781 0.815447 0.046956 O\n0.640219 0.184552 0.953044 O\n0.087971 0.199547 0.467259 O\n0.309617 0.663754 0.273752 O\n0.359781 0.684552 0.546956 O\n0.162103 0.468578 0.690538 O\n0.309617 0.836246 0.773752 O\n0.912029 0.800452 0.532741 O\n0.087971 0.300453 0.967259 O\n0.162103 0.031421 0.190538 O\n0.912029 0.699547 0.032741 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.4628876503827035,
"density_atomic": 0.07476772215544732,
"volume": 374.49315283119154,
"volume_molar": 8.0544660000201,
"formula_full": "Li4 Si4 Bi4 O16",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.028649557142857,
"spacegroup": 14
},
{
"id": "jvasp-122506",
"created_at": "2022-09-04T14:38:54.202940Z",
"updated_at": "2022-09-04T14:38:54.202966Z",
"structure_string": "Li4 Ni4 As4 O16\n1.0\n4.892397 -0.000000 0.000000\n0.000000 5.911706 0.000000\n-0.000000 -0.000000 10.308754\nLi Ni As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.993472 0.249999 0.270694 Ni\n0.506529 0.249999 0.770693 Ni\n0.006529 0.750001 0.729305 Ni\n0.493471 0.750001 0.229306 Ni\n0.562403 0.750001 0.906641 As\n0.937597 0.750001 0.406640 As\n0.437598 0.249999 0.093359 As\n0.062403 0.249999 0.593359 As\n0.270461 0.476212 0.169328 O\n0.770462 0.523788 0.330672 O\n0.270461 0.023788 0.169328 O\n0.770462 0.976213 0.330672 O\n0.729539 0.523788 0.830671 O\n0.229539 0.476212 0.669328 O\n0.792070 0.750001 0.559858 O\n0.212832 0.750001 0.905720 O\n0.292070 0.249999 0.940141 O\n0.707931 0.750001 0.059858 O\n0.287168 0.750001 0.405720 O\n0.712835 0.249999 0.594280 O\n0.229539 0.023788 0.669328 O\n0.787167 0.249999 0.094280 O\n0.207930 0.249999 0.440142 O\n0.729539 0.976213 0.830671 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"As",
"O"
],
"chemical_system": "As-Li-Ni-O",
"density": 4.556963195856795,
"density_atomic": 0.09391118840807922,
"volume": 298.1540376033741,
"volume_molar": 6.412591366463756,
"formula_full": "Li4 Ni4 As4 O16",
"formula_reduced": "LiNiAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0273840214285714,
"spacegroup": 62
},
{
"id": "jvasp-40685",
"created_at": "2022-09-04T14:38:04.991256Z",
"updated_at": "2022-09-04T14:38:04.991289Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.043181 0.000000 0.000000\n0.000000 6.068328 0.000000\n0.000000 0.000000 11.345283\nLi Mn P O\n4 4 4 16\ndirect\n0.753013 0.472528 0.176292 Li\n0.253013 0.972528 0.323707 Li\n0.753013 0.027472 0.676292 Li\n0.253013 0.527473 0.823707 Li\n0.259364 0.225782 0.078110 Mn\n0.759364 0.725782 0.421890 Mn\n0.259364 0.274218 0.578110 Mn\n0.759364 0.774218 0.921890 Mn\n0.248303 0.031118 0.828784 P\n0.748303 0.531118 0.671216 P\n0.248303 0.468882 0.328784 P\n0.748303 0.968882 0.171216 P\n0.867947 0.549414 0.796613 O\n0.942822 0.011912 0.822831 O\n0.442822 0.511912 0.677169 O\n0.367947 0.049413 0.703387 O\n0.860430 0.320632 0.609655 O\n0.822270 0.739794 0.597295 O\n0.322270 0.260206 0.402704 O\n0.860430 0.179368 0.109655 O\n0.867947 0.950587 0.296613 O\n0.942822 0.488088 0.322831 O\n0.442822 -0.011912 0.177169 O\n0.367947 0.450587 0.203387 O\n0.360430 0.820633 0.890345 O\n0.822270 0.760206 0.097296 O\n0.360430 0.679368 0.390345 O\n0.322270 0.239794 0.902704 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.000584096235825,
"density_atomic": 0.08064344938037603,
"volume": 347.2073704081114,
"volume_molar": 7.467613062525377,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.550640963054187,
"spacegroup": 33
},
{
"id": "jvasp-111982",
"created_at": "2022-09-04T14:38:53.754326Z",
"updated_at": "2022-09-04T14:38:53.754352Z",
"structure_string": "Li4 Mn4 Sb4 O16\n1.0\n6.256732 0.000020 -0.000035\n0.000021 6.122209 -0.000025\n-0.000051 -0.000033 8.991886\nLi Mn Sb O\n4 4 4 16\ndirect\n0.000000 0.250000 0.102130 Li\n0.500000 0.750000 0.602130 Li\n-0.000001 0.750000 0.897870 Li\n0.499999 0.250000 0.397869 Li\n0.500000 0.000001 0.000000 Mn\n0.000001 0.000001 0.499999 Mn\n0.000001 0.500001 0.500001 Mn\n0.500000 0.500001 -0.000002 Mn\n0.250001 0.250000 0.749999 Sb\n0.749999 0.749999 0.249998 Sb\n0.749999 0.250000 0.750001 Sb\n0.250000 0.749999 0.250000 Sb\n0.269463 0.750001 0.027391 O\n0.769463 0.250001 0.527391 O\n0.269465 0.250001 0.972609 O\n0.769465 0.750000 0.472608 O\n0.730536 0.250000 0.972608 O\n0.230536 0.749999 0.472608 O\n0.499998 0.975162 0.251169 O\n0.500002 0.024837 0.748831 O\n0.500002 0.524838 0.251170 O\n0.000003 0.024838 0.751171 O\n0.499997 0.475162 0.748829 O\n-0.000003 0.975161 0.248829 O\n0.230534 0.250001 0.527392 O\n0.000002 0.524837 0.248830 O\n-0.000002 0.475163 0.751170 O\n0.730534 0.750000 0.027392 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.775485203630009,
"density_atomic": 0.08129269750220885,
"volume": 344.43438168894806,
"volume_molar": 7.407972603980042,
"formula_full": "Li4 Mn4 Sb4 O16",
"formula_reduced": "LiMnSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.398678191625616,
"spacegroup": 74
},
{
"id": "jvasp-21436",
"created_at": "2022-09-04T14:38:33.296909Z",
"updated_at": "2022-09-04T14:38:33.296943Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557119 -4.429061 -0.000000\n2.557119 4.429061 -0.000000\n0.000000 -0.000000 8.700986\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.819503 K\n0.000000 0.000000 0.319503 K\n0.333333 0.666667 0.506163 Li\n0.666667 0.333333 0.006162 Li\n0.333333 0.666667 0.116991 S\n0.666667 0.333333 0.616991 S\n0.943288 0.605790 0.561774 O\n0.605790 0.943288 0.061774 O\n0.662502 0.056713 0.561774 O\n0.394210 0.337498 0.561774 O\n0.333333 0.666667 0.287522 O\n0.666667 0.333333 0.787522 O\n0.337498 0.394210 0.061774 O\n0.056713 0.662502 0.061774 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"S",
"O"
],
"chemical_system": "K-Li-O-S",
"density": 2.394516927327699,
"density_atomic": 0.07103411422005873,
"volume": 197.08840116776815,
"volume_molar": 8.477814957111773,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5550488571428571,
"spacegroup": 159
},
{
"id": "jvasp-48622",
"created_at": "2022-09-04T14:37:06.895798Z",
"updated_at": "2022-09-04T14:37:06.895816Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n0.000000 5.029563 -0.023697\n5.402455 0.000000 0.000000\n0.000000 -4.975554 -6.266187\nLi Fe Si O\n2 2 2 8\ndirect\n0.240485 0.338834 0.756655 Li\n0.240484 0.661167 0.256655 Li\n0.991167 0.167898 0.008483 Fe\n0.991167 0.832103 0.508483 Fe\n0.737558 0.665810 0.759631 Si\n0.737558 0.334191 0.259631 Si\n0.026824 0.828647 0.973211 O\n0.876497 0.380732 0.785424 O\n0.385309 0.667859 0.733321 O\n0.652503 0.782298 0.540120 O\n0.026823 0.171354 0.473211 O\n0.876497 0.619269 0.285424 O\n0.385309 0.332142 0.233321 O\n0.652502 0.217702 0.040119 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0095210912535277,
"density_atomic": 0.08191841850044014,
"volume": 170.90173682887664,
"volume_molar": 7.351387966514079,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4401225857142856,
"spacegroup": 7
}
]
}