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=density&page=243",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=241",
"results": [
{
"id": "jvasp-26341",
"created_at": "2022-09-04T14:38:27.390787Z",
"updated_at": "2022-09-04T14:38:27.390824Z",
"structure_string": "Si2 O4\n1.0\n4.516480 -0.772413 -2.188273\n-2.571472 4.334240 -0.621306\n-0.458145 0.772360 4.997764\nSi O\n2 4\ndirect\n0.000004 -0.000000 0.000003 Si\n0.500005 0.750005 0.250002 Si\n0.357588 0.375003 0.232585 O\n0.857589 0.982587 0.625003 O\n0.142408 0.767406 0.125001 O\n0.642406 0.875002 0.017404 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2207322193511145,
"density_atomic": 0.06677399263944771,
"volume": 89.85534281883592,
"volume_molar": 9.018692041551418,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3916152000000004,
"spacegroup": 122
},
{
"id": "jvasp-114772",
"created_at": "2022-09-04T14:38:43.597795Z",
"updated_at": "2022-09-04T14:38:43.597830Z",
"structure_string": "Na3 Cl1 O1\n1.0\n4.481476 -0.000000 0.000000\n-0.000000 4.481476 -0.000000\n0.000000 -0.000000 4.481476\nNa Cl O\n3 1 1\ndirect\n0.500001 0.000000 0.000000 Na\n0.000000 0.000000 0.500001 Na\n0.000000 0.500001 0.000000 Na\n0.500001 0.500001 0.500001 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.2217268047741623,
"density_atomic": 0.05555290567301895,
"volume": 90.00429301447701,
"volume_molar": 10.840370430749305,
"formula_full": "Na3 Cl1 O1",
"formula_reduced": "Na3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-65107",
"created_at": "2022-09-04T14:38:17.726737Z",
"updated_at": "2022-09-04T14:38:17.726754Z",
"structure_string": "Mg4 Be1 V1\n1.0\n-0.000000 3.887151 3.887151\n3.887151 0.000000 3.887151\n3.887151 3.887151 0.000000\nMg Be V\n4 1 1\ndirect\n0.126157 0.624614 0.624614 Mg\n0.624614 0.624614 0.624614 Mg\n0.624614 0.126157 0.624614 Mg\n0.624614 0.624614 0.126157 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Be",
"V"
],
"chemical_system": "Be-Mg-V",
"density": 2.221798628820317,
"density_atomic": 0.05107719276216273,
"volume": 117.4692592824858,
"volume_molar": 11.790273572867768,
"formula_full": "Mg4 Be1 V1",
"formula_reduced": "Mg4BeV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6503094166666669,
"spacegroup": 216
},
{
"id": "jvasp-51402",
"created_at": "2022-09-04T14:37:06.965508Z",
"updated_at": "2022-09-04T14:37:06.965536Z",
"structure_string": "K4 H4 C4 O12\n1.0\n0.000000 3.660739 0.077323\n5.632560 0.000000 0.000000\n0.000000 -3.711353 -14.593697\nK H C O\n4 4 4 12\ndirect\n0.965145 0.531587 0.334699 K\n0.034856 0.031587 0.165301 K\n0.034857 0.468413 0.665301 K\n0.965145 0.968413 0.834699 K\n0.517647 0.194619 0.487309 H\n0.482354 0.694619 0.012692 H\n0.482355 0.805381 0.512692 H\n0.517648 0.305381 0.987309 H\n0.376086 0.976648 0.618128 C\n0.623916 0.476648 0.881873 C\n0.623916 0.023352 0.381873 C\n0.376085 0.523352 0.118127 C\n0.421240 0.771267 0.574725 O\n0.717787 0.043020 0.307475 O\n0.282214 0.543020 0.192526 O\n0.282215 0.956979 0.692526 O\n0.717787 0.456979 0.807475 O\n0.568655 0.826574 0.418752 O\n0.431346 0.326574 0.081248 O\n0.431347 0.173426 0.581248 O\n0.568656 0.673426 0.918752 O\n0.578762 0.228733 0.425275 O\n0.421239 0.728733 0.074725 O\n0.578762 0.271267 0.925275 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.221816009020604,
"density_atomic": 0.0801882038247205,
"volume": 299.29589210478434,
"volume_molar": 7.510008296436601,
"formula_full": "K4 H4 C4 O12",
"formula_reduced": "KHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.489353083333333,
"spacegroup": 14
},
{
"id": "jvasp-112182",
"created_at": "2022-09-04T14:38:41.953865Z",
"updated_at": "2022-09-04T14:38:41.953887Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.222229581137572,
"density_atomic": 0.1254829434195833,
"volume": 223.13789617107614,
"volume_molar": 4.799170784401734,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479579419642857,
"spacegroup": 1
},
{
"id": "jvasp-7659",
"created_at": "2022-09-04T14:37:01.251516Z",
"updated_at": "2022-09-04T14:37:01.251550Z",
"structure_string": "Na1 Li2 N1\n1.0\n3.268572 0.000000 1.887110\n1.089524 3.081640 1.887110\n0.000000 0.000000 3.774222\nNa Li N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750000 Li\n0.499999 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 2.222366765120923,
"density_atomic": 0.10521861741457703,
"volume": 38.01608591984633,
"volume_molar": 5.723455513839218,
"formula_full": "Na1 Li2 N1",
"formula_reduced": "NaLi2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4307605625,
"spacegroup": 225
},
{
"id": "jvasp-103912",
"created_at": "2022-09-04T14:36:57.409405Z",
"updated_at": "2022-09-04T14:36:57.409427Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.280764 -0.123613 1.291945\n1.916527 4.427707 0.703533\n0.275042 -0.286408 7.687239\nZn H C O\n1 6 5 4\ndirect\n0.273351 0.056650 0.268616 Zn\n0.350215 0.627632 0.664533 H\n0.088348 0.616856 0.537173 H\n0.227301 0.182075 0.852054 H\n0.889983 0.701619 0.971430 H\n0.946439 0.217116 0.725901 H\n0.629500 0.764225 0.832172 H\n0.562049 0.257211 0.483031 C\n0.260247 0.479514 0.617199 C\n0.058506 0.340765 0.777717 C\n0.780291 0.587969 0.908974 C\n0.529099 0.492666 0.062053 C\n0.830601 0.318438 0.419192 O\n0.544211 0.022401 0.437427 O\n0.531320 0.231762 0.054126 O\n0.315453 0.671214 0.193691 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.222385117753915,
"density_atomic": 0.10952827550801464,
"volume": 146.0809998677393,
"volume_molar": 5.498252147281672,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.144828399999999,
"spacegroup": 1
},
{
"id": "jvasp-115370",
"created_at": "2022-09-04T14:38:44.820974Z",
"updated_at": "2022-09-04T14:38:44.820998Z",
"structure_string": "Tl1 P1 S1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nTl P S\n1 1 1\ndirect\n-0.012720 0.353177 0.000000 Tl\n-0.049751 -0.067123 0.000000 P\n0.304933 -0.014027 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Tl",
"density": 2.22247790231624,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Tl1 P1 S1",
"formula_reduced": "TlPS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5264427000000005,
"spacegroup": 6
},
{
"id": "jvasp-94372",
"created_at": "2022-09-04T14:36:31.013445Z",
"updated_at": "2022-09-04T14:36:31.013467Z",
"structure_string": "Sr2 Mg4\n1.0\n3.829774 -0.000000 -0.000000\n-1.914887 3.316682 -0.000000\n-0.000000 0.000000 16.025113\nSr Mg\n2 4\ndirect\n0.666666 0.333333 0.180277 Sr\n0.666666 0.333333 0.819723 Sr\n0.666666 0.333333 0.500000 Mg\n0.000000 0.000000 0.358303 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.641696 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.222663762077722,
"density_atomic": 0.02947631367982565,
"volume": 203.55326874223607,
"volume_molar": 20.430440608730894,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2360237254901961,
"spacegroup": 187
},
{
"id": "jvasp-97663",
"created_at": "2022-09-04T14:35:57.960144Z",
"updated_at": "2022-09-04T14:35:57.960153Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.131565 0.000000 0.000000\n0.000000 5.966691 -0.000000\n0.000000 -0.000000 7.296064\nH Cl O\n12 4 20\ndirect\n0.091725 0.611582 0.177203 H\n0.591726 0.888418 0.322797 H\n0.908275 0.111582 0.822797 H\n0.408275 0.388418 0.677202 H\n0.908275 0.388418 0.822797 H\n0.408275 0.111582 0.677202 H\n0.091725 0.888418 0.177203 H\n0.591726 0.611582 0.322797 H\n0.244538 0.750000 0.074505 H\n0.744539 0.750000 0.425494 H\n0.755462 0.250000 -0.074505 H\n0.255462 0.250000 0.574505 H\n0.565474 0.750000 0.815134 Cl\n0.065474 0.750000 0.684865 Cl\n0.934526 0.250000 0.315134 Cl\n0.434526 0.250000 0.184865 Cl\n0.060769 0.550351 0.805034 O\n0.665241 0.750000 0.322621 O\n0.165241 0.750000 0.177379 O\n0.439231 0.050351 0.305034 O\n-0.060769 0.449649 0.194965 O\n0.560769 0.550351 0.694965 O\n0.060769 0.949649 0.805034 O\n0.560769 0.949649 0.694965 O\n0.439231 0.449649 0.305034 O\n0.282791 0.250000 0.082743 O\n0.424081 0.750000 -0.062773 O\n-0.075920 0.750000 0.562773 O\n0.575920 0.250000 0.062773 O\n0.075920 0.250000 0.437227 O\n0.717209 0.750000 0.917256 O\n0.217209 0.750000 0.582743 O\n0.834760 0.250000 0.822620 O\n0.782792 0.250000 0.417256 O\n-0.060769 0.050351 0.194965 O\n0.334759 0.250000 0.677379 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.222977978175401,
"density_atomic": 0.10169654077179993,
"volume": 353.9943416638087,
"volume_molar": 5.921677093730524,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.568015729722222,
"spacegroup": 62
},
{
"id": "jvasp-21263",
"created_at": "2022-09-04T14:38:10.948726Z",
"updated_at": "2022-09-04T14:38:10.948756Z",
"structure_string": "Na12 Mn2 S8\n1.0\n4.474089 -7.749349 0.000000\n4.474089 7.749349 -0.000000\n0.000000 -0.000000 6.917682\nNa Mn S\n12 2 8\ndirect\n0.531668 0.063336 0.367474 Na\n0.063336 0.531668 0.867474 Na\n0.936665 0.468332 0.367474 Na\n0.531668 0.468332 0.367474 Na\n0.854235 0.145765 0.036917 Na\n0.708470 0.854235 0.536917 Na\n0.468332 0.936665 0.867474 Na\n0.854235 0.708470 0.036917 Na\n0.291530 0.145765 0.036917 Na\n0.145765 0.854235 0.536917 Na\n0.468332 0.531668 0.867474 Na\n0.145765 0.291530 0.536917 Na\n0.666667 0.333333 0.750918 Mn\n0.333333 0.666667 0.250918 Mn\n0.813537 0.627074 0.641936 S\n0.186463 0.372926 0.141936 S\n0.627074 0.813537 0.141936 S\n0.333333 0.666667 0.597599 S\n0.666667 0.333333 0.097599 S\n0.186463 0.813537 0.141936 S\n0.813537 0.186463 0.641936 S\n0.372926 0.186463 0.641936 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mn",
"S"
],
"chemical_system": "Mn-Na-S",
"density": 2.223353668496328,
"density_atomic": 0.045862978085233076,
"volume": 479.6897392732449,
"volume_molar": 13.130723322869004,
"formula_full": "Na12 Mn2 S8",
"formula_reduced": "Na6MnS4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.7310419310344829,
"spacegroup": 186
},
{
"id": "jvasp-5278",
"created_at": "2022-09-04T14:36:09.328722Z",
"updated_at": "2022-09-04T14:36:09.328745Z",
"structure_string": "K2 H2 C2 O6\n1.0\n3.671858 0.103657 0.032307\n-0.233168 5.626930 0.042790\n-1.592225 -2.516817 7.195606\nK H C O\n2 2 2 6\ndirect\n0.295316 0.174598 0.330166 K\n0.704686 0.825402 0.669835 K\n0.458094 0.293676 0.972193 H\n0.541907 0.706325 0.027808 H\n0.137763 0.376796 0.764012 C\n0.862239 0.623205 0.235989 C\n0.105527 0.705747 0.384851 O\n0.894474 0.294254 0.615150 O\n0.271851 0.206965 0.847971 O\n0.728151 0.793035 0.152030 O\n0.265549 0.606060 0.840292 O\n0.734453 0.393941 0.159709 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.223402186839919,
"density_atomic": 0.08024545102690155,
"volume": 149.54118702600488,
"volume_molar": 7.504650647400727,
"formula_full": "K2 H2 C2 O6",
"formula_reduced": "KHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.48940975,
"spacegroup": 2
}
]
}