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=645",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=643",
"results": [
{
"id": "jvasp-103820",
"created_at": "2022-09-04T14:36:55.315389Z",
"updated_at": "2022-09-04T14:36:55.315405Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.975534 0.020716 0.611035\n1.780365 5.793235 0.814270\n0.104842 0.028144 10.203591\nH C S O\n6 12 2 1\ndirect\n0.717367 0.995296 0.436995 H\n0.763140 0.625835 0.840737 H\n0.885263 0.669886 0.580755 H\n0.665056 0.779029 0.214621 H\n0.331626 0.737872 0.436506 H\n0.044010 0.037021 0.212616 H\n0.891922 0.190512 0.262355 C\n0.708379 0.167602 0.389053 C\n0.094251 0.451287 0.071442 C\n0.889604 0.411603 0.199545 C\n0.505809 0.362952 0.455154 C\n0.676863 0.607669 0.264168 C\n0.270547 0.261913 0.979838 C\n0.212862 0.313744 0.840318 C\n0.330700 0.356085 0.591746 C\n0.975354 0.506199 0.782555 C\n0.041466 0.529490 0.643362 C\n0.487036 0.583742 0.387754 C\n0.196452 0.693467 0.025117 S\n0.509540 0.154920 0.718566 S\n0.487910 0.083276 0.023204 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6329619105860222,
"density_atomic": 0.08966894406748926,
"volume": 234.1947952927199,
"volume_molar": 6.715971535772117,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677618261904762,
"spacegroup": 1
},
{
"id": "jvasp-48235",
"created_at": "2022-09-04T14:36:10.060577Z",
"updated_at": "2022-09-04T14:36:10.060602Z",
"structure_string": "Li2 Mn3 Sb1 O8\n1.0\n5.939349 0.011076 -0.002529\n0.000556 5.932936 0.047633\n-2.965323 -2.758085 4.409937\nLi Mn Sb O\n2 3 1 8\ndirect\n0.500027 0.000041 0.500041 Li\n0.000026 0.000077 0.500050 Li\n0.500000 -0.000020 0.000001 Mn\n0.499979 0.499991 0.499964 Mn\n-0.000037 0.499996 0.499924 Mn\n0.000000 -0.000035 -0.000001 Sb\n0.294230 0.752609 0.564598 O\n0.268862 0.790270 0.020085 O\n0.763444 0.802119 0.042324 O\n0.241102 0.256071 0.459268 O\n0.758885 0.743928 0.540725 O\n0.236561 0.197862 0.957703 O\n0.731157 0.209701 0.979923 O\n0.705771 0.247391 0.435396 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.556827726245291,
"density_atomic": 0.08966852955284754,
"volume": 156.13058527684322,
"volume_molar": 6.7160025819880955,
"formula_full": "Li2 Mn3 Sb1 O8",
"formula_reduced": "Li2Mn3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9633382731527096,
"spacegroup": 2
},
{
"id": "jvasp-113423",
"created_at": "2022-09-04T14:38:49.130412Z",
"updated_at": "2022-09-04T14:38:49.130430Z",
"structure_string": "Na1 F1\n1.0\n2.814804 -0.000000 0.000000\n-0.000000 2.814997 -0.000000\n-0.000000 -0.000000 2.814997\nNa F\n1 1\ndirect\n0.010060 0.000000 0.000000 Na\n0.509939 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"F"
],
"chemical_system": "F-Na",
"density": 3.125878099821761,
"density_atomic": 0.08966562158045756,
"volume": 22.305092684885775,
"volume_molar": 6.716220390661423,
"formula_full": "Na1 F1",
"formula_reduced": "NaF",
"formula_anonymous": "AB",
"energy_above_hull": 0.07356,
"spacegroup": 221
},
{
"id": "jvasp-21249",
"created_at": "2022-09-04T14:37:56.485982Z",
"updated_at": "2022-09-04T14:37:56.486003Z",
"structure_string": "Mg4 Ge4 O12\n1.0\n5.164446 -0.032690 0.730838\n0.871541 6.529512 0.474538\n-0.037173 0.011109 6.604376\nMg Ge O\n4 4 12\ndirect\n0.250000 0.729990 0.270010 Mg\n0.750001 0.270009 0.729991 Mg\n0.250001 0.091914 0.908087 Mg\n0.750001 0.908086 0.091914 Mg\n0.290272 0.204989 0.396169 Ge\n0.709730 0.795011 0.603832 Ge\n0.790272 0.396169 0.204989 Ge\n0.209729 0.603831 0.795012 Ge\n0.370282 0.024898 0.205365 O\n0.129719 0.794635 0.975103 O\n0.600607 0.291023 0.433732 O\n0.616454 0.627911 0.138385 O\n0.883547 0.861615 0.372089 O\n0.383547 0.372089 0.861616 O\n0.116454 0.138385 0.627912 O\n0.100606 0.433732 0.291023 O\n0.399394 0.708977 0.566269 O\n0.899395 0.566268 0.708978 O\n0.870282 0.205364 0.024898 O\n0.629720 0.975102 0.794636 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 4.316149892931774,
"density_atomic": 0.08966430369095103,
"volume": 223.05420526026356,
"volume_molar": 6.716319105936198,
"formula_full": "Mg4 Ge4 O12",
"formula_reduced": "MgGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0635910999999998,
"spacegroup": 15
},
{
"id": "jvasp-52803",
"created_at": "2022-09-04T14:36:15.259714Z",
"updated_at": "2022-09-04T14:36:15.259738Z",
"structure_string": "Na1 Ca1 Fe2 Si4 O12\n1.0\n5.150350 0.141722 1.228950\n1.030649 6.518486 0.633616\n-0.222107 0.085997 6.625530\nNa Ca Fe Si O\n1 1 2 4 12\ndirect\n0.250000 0.700300 0.299701 Na\n0.750000 0.304243 0.695758 Ca\n0.249999 0.087813 0.912187 Fe\n0.750000 0.900674 0.099327 Fe\n0.268815 0.196498 0.381480 Si\n0.231184 0.618521 0.803503 Si\n0.764948 0.382960 0.195789 Si\n0.735052 0.804212 0.617041 Si\n0.648705 0.972412 0.793769 O\n0.851294 0.206231 0.027588 O\n0.684628 0.615465 0.103195 O\n0.501202 0.663634 0.634790 O\n0.505329 0.332425 0.373006 O\n0.179493 0.110982 0.617302 O\n0.142350 0.798365 0.966437 O\n0.357649 0.033564 0.201635 O\n0.815372 0.896806 0.384536 O\n-0.005329 0.626995 0.667576 O\n0.320506 0.382698 0.889019 O\n0.998798 0.365210 0.336367 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Na-O-Si",
"density": 3.5666120449161407,
"density_atomic": 0.08966384016557795,
"volume": 223.05535835925554,
"volume_molar": 6.7163538265583975,
"formula_full": "Na1 Ca1 Fe2 Si4 O12",
"formula_reduced": "NaCaFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.854053841,
"spacegroup": 5
},
{
"id": "jvasp-111675",
"created_at": "2022-09-04T14:38:40.722473Z",
"updated_at": "2022-09-04T14:38:40.722499Z",
"structure_string": "In2 As2 H4 O10\n1.0\n5.505528 0.000641 -0.435932\n-1.769789 5.411117 -0.848389\n-0.011651 -0.054934 6.749738\nIn As H O\n2 2 4 10\ndirect\n0.631012 0.725988 0.221474 In\n0.368989 0.274013 0.778526 In\n0.738017 0.879649 0.742824 As\n0.261984 0.120352 0.257176 As\n0.891555 0.362302 0.271964 H\n0.108446 0.637699 0.728037 H\n0.071462 0.615673 0.210947 H\n0.928539 0.384328 0.789054 H\n0.940907 0.071456 0.270021 O\n0.059093 0.928545 0.729980 O\n0.458409 0.240490 0.479223 O\n0.541592 0.759511 0.520778 O\n0.651525 0.651881 0.891718 O\n0.691367 0.147829 0.859599 O\n0.348476 0.348120 0.108283 O\n0.917985 0.542631 0.276367 O\n0.308634 0.852172 0.140402 O\n0.082015 0.457370 0.723634 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"In",
"As",
"H",
"O"
],
"chemical_system": "As-H-In-O",
"density": 4.495405345355747,
"density_atomic": 0.08965793944220783,
"volume": 200.76303461783806,
"volume_molar": 6.716795854852076,
"formula_full": "In2 As2 H4 O10",
"formula_reduced": "InAsH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.3541821355555554,
"spacegroup": 2
},
{
"id": "jvasp-113221",
"created_at": "2022-09-04T14:38:47.389357Z",
"updated_at": "2022-09-04T14:38:47.389381Z",
"structure_string": "Li4 Fe4 F12\n1.0\n6.291371 -0.194317 0.507391\n0.981359 6.217398 0.507391\n0.197574 0.163626 5.702810\nLi Fe F\n4 4 12\ndirect\n0.651879 0.651880 0.856688 Li\n0.679207 0.320793 0.500000 Li\n0.320793 0.679207 0.500000 Li\n0.348120 0.348121 0.143312 Li\n0.765395 0.765395 0.247878 Fe\n0.844623 0.155376 -0.000000 Fe\n0.155377 0.844623 -0.000000 Fe\n0.234604 0.234605 0.752122 Fe\n0.713127 0.066057 0.335688 F\n0.066057 0.713128 0.335688 F\n0.224424 0.536700 0.879633 F\n0.536699 0.224425 0.879633 F\n0.775575 0.463300 0.120367 F\n0.627748 0.627749 0.553912 F\n0.286872 0.933944 0.664312 F\n0.933943 0.286873 0.664312 F\n0.372251 0.372252 0.446088 F\n0.851271 0.851272 0.871842 F\n0.463301 0.775575 0.120367 F\n0.148728 0.148728 0.128158 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5665420082933883,
"density_atomic": 0.08965604070764988,
"volume": 223.07476263887153,
"volume_molar": 6.716938103074368,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2978512695,
"spacegroup": 12
},
{
"id": "jvasp-11298",
"created_at": "2022-09-04T14:37:13.014125Z",
"updated_at": "2022-09-04T14:37:13.014156Z",
"structure_string": "Mg2 Ti2 F8\n1.0\n5.135855 0.004748 -0.017503\n-0.005891 5.132380 -0.314083\n-2.547119 -2.823743 5.259229\nMg Ti F\n2 2 8\ndirect\n0.291461 0.249367 0.499210 Mg\n0.709501 0.749411 0.499190 Mg\n0.000490 0.499404 -0.000801 Ti\n0.500489 -0.000593 -0.000790 Ti\n0.425325 0.877042 0.260884 F\n0.177277 0.553912 0.755137 F\n0.575641 0.121738 0.737500 F\n0.663707 0.621758 0.737528 F\n0.823684 0.444908 0.243245 F\n0.921307 0.944928 0.243318 F\n0.337293 0.377047 0.260909 F\n0.079668 0.053883 0.755099 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"F"
],
"chemical_system": "F-Mg-Ti",
"density": 3.6763102941711976,
"density_atomic": 0.08965342629050355,
"volume": 133.84876068335035,
"volume_molar": 6.717133978222414,
"formula_full": "Mg2 Ti2 F8",
"formula_reduced": "MgTiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0267398546296294,
"spacegroup": 15
},
{
"id": "jvasp-74810",
"created_at": "2022-09-04T14:36:02.554005Z",
"updated_at": "2022-09-04T14:36:02.554028Z",
"structure_string": "Be2 P1 Ir1\n1.0\n3.021719 0.000000 0.000000\n-0.000000 3.021719 0.000000\n-0.000000 0.000000 4.886453\nBe P Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000348 Be\n0.500000 0.500000 0.233304 Be\n0.500000 0.500000 0.786540 P\n0.000000 0.000000 0.479805 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Ir"
],
"chemical_system": "Be-Ir-P",
"density": 8.977424444485823,
"density_atomic": 0.08965161444418135,
"volume": 44.617155249228325,
"volume_molar": 6.717269730540646,
"formula_full": "Be2 P1 Ir1",
"formula_reduced": "Be2PIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8027347,
"spacegroup": 99
},
{
"id": "jvasp-91442",
"created_at": "2022-09-04T14:35:52.862410Z",
"updated_at": "2022-09-04T14:35:52.862439Z",
"structure_string": "Rb4 H16 S4 N4 O16\n1.0\n6.080665 -0.000000 0.000000\n0.000000 7.612053 0.000000\n0.000000 0.000000 10.603413\nRb H S N O\n4 16 4 4 16\ndirect\n0.750001 0.822823 0.601463 Rb\n0.250000 0.677177 0.101463 Rb\n0.750001 0.322823 0.898537 Rb\n0.250000 0.177177 0.398537 Rb\n0.250000 0.587718 0.654251 H\n0.750001 0.514756 0.201867 H\n0.113377 0.392724 0.676197 H\n0.613377 0.107276 0.176197 H\n0.250000 0.485244 0.798132 H\n0.750001 0.912282 0.154251 H\n0.113377 0.892724 0.823803 H\n0.750001 0.412282 0.345749 H\n0.613377 0.607276 0.323803 H\n0.886624 0.607276 0.323803 H\n0.886624 0.107276 0.176197 H\n0.250000 0.087718 0.845749 H\n0.250000 0.985244 0.701867 H\n0.386623 0.892724 0.823803 H\n0.750001 0.014756 0.298132 H\n0.386623 0.392724 0.676197 H\n0.750001 0.766709 0.927245 S\n0.250000 0.733291 0.427245 S\n0.750001 0.266709 0.572754 S\n0.250000 0.233291 0.072754 S\n0.250000 0.967261 0.798162 N\n0.750001 0.532738 0.298162 N\n0.750001 0.032739 0.201837 N\n0.250000 0.467261 0.701837 N\n0.450333 0.308530 0.133847 O\n0.750001 0.959443 0.913527 O\n0.250000 0.284045 0.936133 O\n0.049667 0.308530 0.133847 O\n0.750001 0.459443 0.586473 O\n0.750001 0.715954 0.063866 O\n0.549667 0.191470 0.633847 O\n0.450333 0.808529 0.366153 O\n0.250000 0.784045 0.563866 O\n0.549667 0.691470 0.866153 O\n0.950334 0.191470 0.633847 O\n0.250000 0.540557 0.413527 O\n0.950334 0.691470 0.866153 O\n0.750001 0.215955 0.436134 O\n0.250000 0.040557 0.086473 O\n0.049667 0.808529 0.366153 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Rb",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-Rb-S",
"density": 2.7008676732482764,
"density_atomic": 0.08965078940101781,
"volume": 490.79322439854013,
"volume_molar": 6.71733154859608,
"formula_full": "Rb4 H16 S4 N4 O16",
"formula_reduced": "RbH4SNO4",
"formula_anonymous": "ABCD4E4",
"energy_above_hull": 2.7559061136363634,
"spacegroup": 62
},
{
"id": "jvasp-19829",
"created_at": "2022-09-04T14:36:46.079384Z",
"updated_at": "2022-09-04T14:36:46.079404Z",
"structure_string": "Fe6 P3\n1.0\n2.899407 -5.021920 -0.000000\n2.899407 5.021920 0.000000\n-0.000000 -0.000000 3.447491\nFe P\n6 3\ndirect\n0.000000 0.407594 0.500000 Fe\n0.592407 0.592407 0.500000 Fe\n0.407594 0.000000 0.500000 Fe\n0.742621 0.000000 0.000000 Fe\n0.257379 0.257379 0.000000 Fe\n0.000000 0.742621 0.000000 Fe\n0.666668 0.333334 0.000000 P\n0.333334 0.666668 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Fe",
"P"
],
"chemical_system": "Fe-P",
"density": 7.079000032976111,
"density_atomic": 0.08964589336994853,
"volume": 100.39500596930877,
"volume_molar": 6.717698417202419,
"formula_full": "Fe6 P3",
"formula_reduced": "Fe2P",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7695021666666664,
"spacegroup": 189
},
{
"id": "jvasp-74425",
"created_at": "2022-09-04T14:35:46.164739Z",
"updated_at": "2022-09-04T14:35:46.164764Z",
"structure_string": "Be2 P1 Ir1\n1.0\n3.021923 -0.000000 -0.000000\n0.000000 3.021923 0.000000\n0.000000 0.000000 4.886226\nBe P Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000317 Be\n0.499999 0.499999 0.233340 Be\n0.499999 0.499999 0.786549 P\n0.000000 0.000000 0.479795 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Ir"
],
"chemical_system": "Be-Ir-P",
"density": 8.976629422093184,
"density_atomic": 0.08964367508011763,
"volume": 44.62110680340875,
"volume_molar": 6.717864650928028,
"formula_full": "Be2 P1 Ir1",
"formula_reduced": "Be2PIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8027347,
"spacegroup": 99
}
]
}