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=562",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=560",
"results": [
{
"id": "jvasp-112284",
"created_at": "2022-09-04T14:38:26.306066Z",
"updated_at": "2022-09-04T14:38:26.306077Z",
"structure_string": "Li2 Cu2 H2 S2 O10\n1.0\n5.675927 0.000000 0.000000\n0.000000 4.534374 0.293422\n-0.000000 -0.811461 7.545519\nLi Cu H S O\n2 2 2 2 10\ndirect\n0.750000 0.813193 0.651427 Li\n0.250000 0.186806 0.348573 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.750000 0.328477 0.827951 H\n0.250000 0.671522 0.172049 H\n0.250000 0.432526 0.737400 S\n0.750000 0.567473 0.262600 S\n0.965405 0.386248 0.258020 O\n0.534596 0.386248 0.258020 O\n0.750000 0.794491 0.404277 O\n0.250000 0.205508 0.595722 O\n0.250000 0.276874 0.918015 O\n0.034596 0.613751 0.741980 O\n0.750000 0.116153 0.846409 O\n0.250000 0.883846 0.153591 O\n0.465404 0.613751 0.741980 O\n0.750000 0.723126 0.081985 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Li-O-S",
"density": 3.117416352636201,
"density_atomic": 0.09204864757840187,
"volume": 195.5487720193674,
"volume_molar": 6.542345725254333,
"formula_full": "Li2 Cu2 H2 S2 O10",
"formula_reduced": "LiCuHSO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.052540883333333,
"spacegroup": 11
},
{
"id": "jvasp-44684",
"created_at": "2022-09-04T14:38:06.810916Z",
"updated_at": "2022-09-04T14:38:06.810933Z",
"structure_string": "Mn3 Fe1 O8\n1.0\n-0.041054 4.004113 4.004113\n4.004113 -0.041054 4.004113\n4.004113 4.004113 -0.041054\nMn Fe O\n3 1 8\ndirect\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000001 0.500000 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Fe\n0.262387 0.262387 0.262387 O\n0.707973 0.265576 0.265576 O\n0.265576 0.707973 0.265576 O\n0.265576 0.265576 0.707973 O\n0.734423 0.734423 0.292027 O\n0.734423 0.292027 0.734423 O\n0.292027 0.734423 0.734423 O\n0.737613 0.737613 0.737613 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.440859799436452,
"density_atomic": 0.09204583496788699,
"volume": 130.36983155388364,
"volume_molar": 6.542545637291474,
"formula_full": "Mn3 Fe1 O8",
"formula_reduced": "Mn3FeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.468183768678161,
"spacegroup": 166
},
{
"id": "jvasp-48639",
"created_at": "2022-09-04T14:37:00.986538Z",
"updated_at": "2022-09-04T14:37:00.986566Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.584220 -0.001928 0.013456\n-0.001928 4.584220 0.013456\n0.036318 0.036318 12.408417\nMn O F\n8 8 8\ndirect\n0.979346 0.961029 0.000074 Mn\n0.038971 0.020654 0.249927 Mn\n0.981798 0.951221 0.500526 Mn\n0.048780 0.018202 0.749475 Mn\n0.475480 0.524520 0.625000 Mn\n0.539559 0.460441 0.125000 Mn\n0.477124 0.519699 0.375589 Mn\n0.480302 0.522877 0.874411 Mn\n0.831061 0.168939 0.125000 O\n0.666895 0.688123 0.502218 O\n0.688912 0.666773 -0.000951 O\n0.311877 0.333105 0.747783 O\n0.333227 0.311088 0.250951 O\n0.187961 0.813960 0.875478 O\n0.184207 0.815793 0.625000 O\n0.186040 0.812040 0.374523 O\n0.234561 0.765439 0.125000 F\n0.287211 0.265521 0.997493 F\n0.257184 0.282958 0.498516 F\n0.734480 0.712789 0.252508 F\n0.717043 0.742816 0.751485 F\n0.777271 0.203382 0.384531 F\n0.784094 0.215906 0.625000 F\n0.796618 0.222730 0.865470 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.581758333987951,
"density_atomic": 0.09203891721937552,
"volume": 260.7592605940355,
"volume_molar": 6.543037382378346,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.21815700795977,
"spacegroup": 5
},
{
"id": "jvasp-10610",
"created_at": "2022-09-04T14:37:15.113231Z",
"updated_at": "2022-09-04T14:37:15.113256Z",
"structure_string": "Mg1 Cr4 O8\n1.0\n4.877298 -0.191676 3.383738\n1.668379 4.587078 3.383738\n-0.285445 -0.191676 5.929269\nMg Cr O\n1 4 8\ndirect\n0.500001 0.500000 0.499999 Mg\n0.500002 0.999999 0.500001 Cr\n1.000000 0.499999 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.756224 0.272179 0.756222 O\n0.243778 0.243777 0.727820 O\n0.243777 0.727821 0.243777 O\n0.727819 0.243777 0.243778 O\n0.268576 0.268577 0.268576 O\n0.731426 0.731423 0.731424 O\n0.272183 0.756223 0.756222 O\n0.756224 0.756223 0.272181 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.2356402364252075,
"density_atomic": 0.09203809498844334,
"volume": 141.2458613102795,
"volume_molar": 6.543095835214932,
"formula_full": "Mg1 Cr4 O8",
"formula_reduced": "MgCr4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.3864289730769235,
"spacegroup": 166
},
{
"id": "jvasp-108571",
"created_at": "2022-09-04T14:38:18.657849Z",
"updated_at": "2022-09-04T14:38:18.657860Z",
"structure_string": "Ni1 Pt1 O2\n1.0\n2.502573 0.000072 1.442217\n-0.833497 6.009915 -1.443671\n-0.002332 0.000072 2.888393\nNi Pt O\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Ni\n0.000000 0.000000 0.000000 Pt\n0.110485 0.331593 0.110486 O\n0.889514 0.668407 0.889515 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Pt",
"O"
],
"chemical_system": "Ni-O-Pt",
"density": 10.918382256539285,
"density_atomic": 0.0920329052497563,
"volume": 43.46271574438418,
"volume_molar": 6.543464800613743,
"formula_full": "Ni1 Pt1 O2",
"formula_reduced": "NiPtO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9092827,
"spacegroup": 166
},
{
"id": "jvasp-11158",
"created_at": "2022-09-04T14:37:15.758568Z",
"updated_at": "2022-09-04T14:37:15.758589Z",
"structure_string": "Li4 Pd2 F12\n1.0\n0.000000 4.638812 0.000730\n4.641925 0.000000 0.000000\n0.000000 -4.637117 -9.084081\nLi Pd F\n4 2 12\ndirect\n0.336179 0.999832 0.336190 Li\n0.336178 0.500167 0.836189 Li\n0.663820 0.000167 0.663810 Li\n0.663821 0.499832 0.163810 Li\n-0.000000 0.499999 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.966684 0.306332 0.661381 F\n0.033314 0.806332 0.838619 F\n0.033314 0.693667 0.338619 F\n0.966685 0.193667 0.161381 F\n0.294911 0.204059 0.500004 F\n0.294912 0.295940 0.000005 F\n0.705088 0.795940 0.499995 F\n0.356025 0.806153 0.161325 F\n0.643974 0.193846 0.838675 F\n0.356025 0.693845 0.661325 F\n0.705087 0.704058 0.999995 F\n0.643974 0.306154 0.338675 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Pd",
"F"
],
"chemical_system": "F-Li-Pd",
"density": 3.9781974010594787,
"density_atomic": 0.09202832225342836,
"volume": 195.59196081431813,
"volume_molar": 6.5437906641568215,
"formula_full": "Li4 Pd2 F12",
"formula_reduced": "Li2PdF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0374863772222221,
"spacegroup": 136
},
{
"id": "jvasp-59885",
"created_at": "2022-09-04T14:38:01.425222Z",
"updated_at": "2022-09-04T14:38:01.425250Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n5.922489 0.006342 0.010893\n-2.955703 -5.193095 -0.010470\n-2.953946 1.563191 -4.953251\nTi Zn O\n4 2 8\ndirect\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.026782 0.253988 0.746008 O\n0.004135 0.247304 0.260967 O\n0.473216 0.253989 0.746012 O\n0.504114 0.260947 0.247286 O\n0.526784 0.746011 0.253988 O\n0.995865 0.752696 0.739033 O\n0.495886 0.739053 0.752714 O\n0.973218 0.746012 0.253993 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.914961473758914,
"density_atomic": 0.09202699506276214,
"volume": 152.12927457266252,
"volume_molar": 6.543885037094732,
"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2037215809523807,
"spacegroup": 74
},
{
"id": "jvasp-59612",
"created_at": "2022-09-04T14:37:08.338176Z",
"updated_at": "2022-09-04T14:37:08.338215Z",
"structure_string": "Ce2 Al2 O6\n1.0\n4.635931 -0.000000 2.675791\n1.562165 4.378762 2.647354\n0.002250 -0.011441 5.349978\nCe Al O\n2 2 6\ndirect\n0.749999 0.751447 0.748553 Ce\n0.250000 0.248553 0.251447 Ce\n0.499999 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.776599 0.223401 0.723401 O\n0.723400 0.776599 0.276600 O\n0.223400 0.776599 0.276600 O\n0.276600 0.223401 0.723401 O\n0.249999 0.698752 0.801248 O\n0.750000 0.301247 0.198752 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.573638783316468,
"density_atomic": 0.09202269261555575,
"volume": 108.66884803922348,
"volume_molar": 6.544190991192539,
"formula_full": "Ce2 Al2 O6",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6645317599999998,
"spacegroup": 74
},
{
"id": "jvasp-57720",
"created_at": "2022-09-04T14:38:34.388760Z",
"updated_at": "2022-09-04T14:38:34.388798Z",
"structure_string": "Ce2 Al2 O6\n1.0\n4.635666 -0.009761 2.658014\n1.535310 4.374051 2.658014\n-0.013802 -0.009761 5.343618\nCe Al O\n2 2 6\ndirect\n0.750001 0.750000 0.749998 Ce\n0.250000 0.250000 0.249999 Ce\n0.500001 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.292022 0.750000 0.207978 O\n0.750001 0.207979 0.292020 O\n0.207979 0.292022 0.750000 O\n0.707979 0.250000 0.792020 O\n0.792022 0.707979 0.249998 O\n0.250001 0.792021 0.707978 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.5734506220030005,
"density_atomic": 0.09202005859332209,
"volume": 108.6719586236571,
"volume_molar": 6.54437831496559,
"formula_full": "Ce2 Al2 O6",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.66452776,
"spacegroup": 167
},
{
"id": "jvasp-33314",
"created_at": "2022-09-04T14:36:46.773960Z",
"updated_at": "2022-09-04T14:36:46.773979Z",
"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S-Zn",
"density": 1.9756131892482107,
"density_atomic": 0.09201628370657385,
"volume": 412.97038382006724,
"volume_molar": 6.544646792304399,
"formula_full": "Zn2 H16 C4 S4 N12",
"formula_reduced": "ZnH8C2(SN3)2",
"formula_anonymous": "AB2C2D6E8",
"energy_above_hull": 4.360972099999999,
"spacegroup": 14
},
{
"id": "jvasp-42567",
"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mg",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mg-Mn-O-P",
"density": 3.2506955485900035,
"density_atomic": 0.0920130426551029,
"volume": 282.56863646447493,
"volume_molar": 6.544877319808988,
"formula_full": "Li2 Mg2 Mn1 Fe1 P4 O16",
"formula_reduced": "Li2Mg2MnFe(PO4)4",
"formula_anonymous": "ABC2D2E4F16",
"energy_above_hull": 2.755044186206897,
"spacegroup": 1
},
{
"id": "jvasp-97879",
"created_at": "2022-09-04T14:35:41.327949Z",
"updated_at": "2022-09-04T14:35:41.327979Z",
"structure_string": "Rb2 Na10 Be16 O22\n1.0\n6.457864 0.031670 0.077671\n3.154905 7.962608 4.104760\n-0.020299 0.046367 10.612109\nRb Na Be O\n2 10 16 22\ndirect\n0.751682 0.235332 0.061678 Rb\n0.248318 0.764668 0.938322 Rb\n0.749096 0.945441 0.973555 Na\n0.127773 0.860002 0.627967 Na\n0.741185 0.732834 0.539901 Na\n0.247729 0.553555 0.517846 Na\n0.909685 0.636830 0.857428 Na\n0.258815 0.267167 0.460099 Na\n0.090315 0.363171 0.142572 Na\n0.752270 0.446446 0.482153 Na\n0.872227 0.139999 0.372033 Na\n0.250903 0.054560 0.026445 Na\n0.505613 0.592378 0.746558 Be\n0.276360 0.386975 0.851882 Be\n0.039950 0.656231 0.215630 Be\n0.960050 0.343770 0.784370 Be\n0.093910 0.155204 0.701707 Be\n0.333023 0.718859 0.240433 Be\n0.218060 0.890409 0.355782 Be\n0.666976 0.281141 0.759567 Be\n0.614837 0.785037 0.272424 Be\n0.385163 0.214963 0.727575 Be\n0.781940 0.109591 0.644218 Be\n0.723640 0.613026 0.148118 Be\n0.446824 0.087830 0.275632 Be\n0.553176 0.912171 0.724368 Be\n0.906090 0.844797 0.298293 Be\n0.494387 0.407623 0.253442 Be\n0.516017 0.769336 0.137752 O\n0.564323 0.265636 0.623289 O\n0.711896 0.435693 0.208433 O\n0.694803 0.459509 0.720229 O\n0.305197 0.540491 0.279771 O\n0.930216 0.151887 0.823339 O\n0.785513 0.927336 0.716091 O\n0.068301 0.355392 0.914693 O\n0.288104 0.564308 0.791567 O\n0.931699 0.644609 0.085307 O\n0.638225 0.960853 0.243970 O\n0.530425 0.758686 0.718461 O\n0.877025 0.657368 0.335883 O\n0.122975 0.342633 0.664117 O\n0.361775 0.039148 0.756030 O\n0.018008 0.851303 0.428592 O\n0.469575 0.241315 0.281539 O\n0.069783 0.848113 0.176661 O\n0.483983 0.230665 0.862248 O\n0.435677 0.734364 0.376711 O\n0.214486 0.072665 0.283909 O\n0.981992 0.148698 0.571408 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Be",
"O"
],
"chemical_system": "Be-Na-O-Rb",
"density": 2.741017196633499,
"density_atomic": 0.09200956116164583,
"volume": 543.4217853963909,
"volume_molar": 6.545124967415156,
"formula_full": "Rb2 Na10 Be16 O22",
"formula_reduced": "RbNa5Be8O11",
"formula_anonymous": "AB5C8D11",
"energy_above_hull": 1.777888092,
"spacegroup": 2
}
]
}