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=3475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3473",
"results": [
{
"id": "jvasp-22941",
"created_at": "2022-09-04T14:38:27.144167Z",
"updated_at": "2022-09-04T14:38:27.144185Z",
"structure_string": "Rb12 Sb4 Se16\n1.0\n9.867333 0.000000 0.000000\n-0.000000 10.243874 0.000000\n0.000000 0.000000 11.466230\nRb Sb Se\n12 4 16\ndirect\n0.937618 0.305150 0.955316 Rb\n0.437618 0.194850 0.955316 Rb\n0.562382 0.805150 0.455316 Rb\n0.062382 0.694850 0.044684 Rb\n0.139526 0.912312 0.750000 Rb\n0.639526 0.587687 0.750000 Rb\n0.360474 0.412312 0.250000 Rb\n0.860474 0.087687 0.250000 Rb\n0.062382 0.694850 0.455316 Rb\n0.437618 0.194850 0.544684 Rb\n0.562382 0.805150 0.044684 Rb\n0.937618 0.305150 0.544684 Rb\n0.723231 0.022035 0.750000 Sb\n0.223231 0.477964 0.750000 Sb\n0.776769 0.522035 0.250000 Sb\n0.276769 0.977964 0.250000 Sb\n0.819528 0.763854 0.250000 Se\n0.180472 0.236146 0.750000 Se\n0.004175 0.405910 0.250000 Se\n0.504175 0.094090 0.250000 Se\n0.495825 0.905910 0.750000 Se\n-0.004175 0.594090 0.750000 Se\n0.646785 0.466952 0.432837 Se\n0.146785 0.033048 0.067163 Se\n0.353214 0.533047 0.932837 Se\n0.353214 0.533047 0.567163 Se\n0.853214 0.966952 0.932837 Se\n0.146785 0.033048 0.432837 Se\n0.646785 0.466952 0.067163 Se\n0.319528 0.736146 0.250000 Se\n0.853214 0.966952 0.567163 Se\n0.680472 0.263854 0.750000 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 3.9772787058252574,
"density_atomic": 0.02760993069083816,
"volume": 1159.0032716242422,
"volume_molar": 21.811502634442814,
"formula_full": "Rb12 Sb4 Se16",
"formula_reduced": "Rb3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5217461958333334,
"spacegroup": 62
},
{
"id": "jvasp-59094",
"created_at": "2022-09-04T14:38:36.373626Z",
"updated_at": "2022-09-04T14:38:36.373652Z",
"structure_string": "Na10 Ca1 Sn12\n1.0\n9.166576 -0.000000 -3.240874\n-4.583288 7.938488 -3.240874\n0.000000 0.000000 9.722621\nNa Ca Sn\n10 1 12\ndirect\n0.500000 0.250000 0.750000 Na\n-0.000000 -0.000000 0.384795 Na\n-0.000000 0.384795 0.000000 Na\n0.384795 0.000000 0.000000 Na\n0.615205 0.615205 0.615206 Na\n0.500000 0.750000 0.250001 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.500000 0.750000 Na\n0.750000 0.500000 0.250001 Na\n0.000000 0.000000 0.000000 Ca\n0.810701 0.627140 0.000001 Sn\n-0.000000 0.810701 0.627140 Sn\n0.816441 0.189300 0.189300 Sn\n0.189300 0.816441 0.189300 Sn\n0.810701 -0.000000 0.627140 Sn\n0.189300 0.189300 0.816440 Sn\n-0.000000 0.627140 0.810701 Sn\n0.183560 0.372860 0.372860 Sn\n0.372860 0.183560 0.372860 Sn\n0.627140 0.810701 0.000001 Sn\n0.627140 -0.000000 0.810701 Sn\n0.372860 0.372860 0.183560 Sn\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Sn"
],
"chemical_system": "Ca-Na-Sn",
"density": 3.977052040285352,
"density_atomic": 0.03250869553987026,
"volume": 707.5030116724208,
"volume_molar": 18.52470749745757,
"formula_full": "Na10 Ca1 Sn12",
"formula_reduced": "Na10CaSn12",
"formula_anonymous": "AB10C12",
"energy_above_hull": 0.0,
"spacegroup": 217
},
{
"id": "jvasp-42529",
"created_at": "2022-09-04T14:38:01.189730Z",
"updated_at": "2022-09-04T14:38:01.189748Z",
"structure_string": "Mn6 O1 F11\n1.0\n0.000000 6.939369 0.001681\n3.269076 0.000000 0.000000\n0.000000 -3.468087 -10.208895\nMn O F\n6 1 11\ndirect\n0.998341 0.000000 0.996517 Mn\n0.827958 0.500001 0.655982 Mn\n0.507292 0.500001 0.014436 Mn\n0.654798 0.000000 0.309711 Mn\n0.338106 0.000000 0.676261 Mn\n0.168531 0.500001 0.337187 Mn\n0.600499 0.500001 0.200976 O\n0.974558 0.000000 0.339067 F\n0.272176 0.500001 0.544360 F\n0.405880 0.500001 0.811743 F\n0.726501 0.500001 0.453229 F\n0.302822 0.000000 0.997887 F\n0.695203 0.000000 0.997874 F\n0.030094 0.000000 0.666009 F\n0.635919 0.000000 0.666094 F\n0.932038 0.500001 0.863854 F\n0.364370 0.000000 0.339026 F\n0.064913 0.500001 0.129791 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.9769385488399305,
"density_atomic": 0.077729255802729,
"volume": 231.57303918723528,
"volume_molar": 7.747585767814038,
"formula_full": "Mn6 O1 F11",
"formula_reduced": "Mn6OF11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 1.6993694475431034,
"spacegroup": 38
},
{
"id": "jvasp-112442",
"created_at": "2022-09-04T14:38:41.363155Z",
"updated_at": "2022-09-04T14:38:41.363181Z",
"structure_string": "Nb2 V2 O10\n1.0\n6.747656 -0.000002 0.000000\n0.000002 6.747656 0.000000\n-0.000000 -0.000000 4.105974\nNb V O\n2 2 10\ndirect\n-0.000000 0.500000 0.805776 Nb\n0.500000 0.000000 0.194223 Nb\n0.500000 0.500000 0.499999 V\n0.000000 0.000000 0.499999 V\n0.455490 0.293382 0.263183 O\n0.706619 0.455490 0.736816 O\n-0.000000 0.500000 0.245859 O\n0.293382 0.544511 0.736816 O\n0.544510 0.706619 0.263183 O\n0.955490 0.793382 0.736816 O\n0.206618 0.955490 0.263183 O\n0.500000 0.000000 0.754140 O\n0.793382 0.044511 0.263183 O\n0.044510 0.206618 0.736816 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 3.976529381136746,
"density_atomic": 0.07488692068556482,
"volume": 186.9485334933612,
"volume_molar": 8.041645596947111,
"formula_full": "Nb2 V2 O10",
"formula_reduced": "NbVO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1985087285714284,
"spacegroup": 85
},
{
"id": "jvasp-20221",
"created_at": "2022-09-04T14:37:41.168181Z",
"updated_at": "2022-09-04T14:37:41.168215Z",
"structure_string": "Hf2 Be26\n1.0\n6.098446 0.000000 3.520939\n2.032815 5.749670 3.520939\n0.000000 0.000000 7.041879\nHf Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750000 0.750000 Hf\n0.061872 0.706713 0.293287 Be\n0.206713 0.438128 0.561871 Be\n0.438129 0.561872 0.206713 Be\n0.561872 0.206713 0.438128 Be\n0.206713 0.561872 0.793287 Be\n0.206714 0.793287 0.438128 Be\n0.793288 0.561872 0.438128 Be\n0.293288 0.706713 0.938128 Be\n0.293287 0.061872 0.706713 Be\n0.061872 0.938128 0.706713 Be\n0.706714 0.938128 0.293287 Be\n0.938130 0.706713 0.061871 Be\n0.938129 0.293287 0.706713 Be\n0.061872 0.293287 0.938128 Be\n0.793288 0.438128 0.206713 Be\n0.438129 0.793287 0.561871 Be\n0.438129 0.206713 0.793287 Be\n0.561873 0.793287 0.206712 Be\n0.793288 0.206713 0.561871 Be\n0.561872 0.438128 0.793287 Be\n0.293288 0.938128 0.061871 Be\n0.500001 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.706713 0.061872 0.938128 Be\n0.938129 0.061872 0.293287 Be\n0.706713 0.293287 0.061871 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Hf",
"Be"
],
"chemical_system": "Be-Hf",
"density": 3.976526820424837,
"density_atomic": 0.11339851599080021,
"volume": 246.91681152398488,
"volume_molar": 5.310599267885096,
"formula_full": "Hf2 Be26",
"formula_reduced": "HfBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.581105878571428,
"spacegroup": 226
},
{
"id": "jvasp-8671",
"created_at": "2022-09-04T14:37:06.763369Z",
"updated_at": "2022-09-04T14:37:06.763393Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n3.850156 0.000000 0.000000\n0.000000 6.296051 -2.262298\n0.000000 0.003652 6.690160\nLi Mn Br\n2 1 4\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.243805 0.243805 Br\n0.500001 0.756194 0.756195 Br\n0.000000 0.245094 0.754905 Br\n0.000000 0.754905 0.245094 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.976494414500693,
"density_atomic": 0.04315486831976876,
"volume": 162.206496567929,
"volume_molar": 13.95471935026465,
"formula_full": "Li2 Mn1 Br4",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6804033801970444,
"spacegroup": 65
},
{
"id": "jvasp-98291",
"created_at": "2022-09-04T14:35:48.970159Z",
"updated_at": "2022-09-04T14:35:48.970185Z",
"structure_string": "H16 Pb4 C8 O24\n1.0\n7.744282 -0.000009 -0.000010\n-0.000010 7.622388 -0.000003\n-0.000011 -0.000003 9.373292\nH Pb C O\n16 4 8 24\ndirect\n0.851883 0.038308 0.166782 H\n0.150488 0.664313 0.603131 H\n0.349512 0.835688 0.103132 H\n0.849513 0.335689 0.396869 H\n0.148116 0.961692 0.833218 H\n0.650488 0.164311 0.896868 H\n0.648117 0.461691 0.666782 H\n0.150487 0.835688 0.103132 H\n0.849513 0.164312 0.896868 H\n0.148117 0.538310 0.333218 H\n0.351883 0.538310 0.333218 H\n0.349513 0.664313 0.603131 H\n0.851883 0.461691 0.666782 H\n0.648117 0.038308 0.166781 H\n0.650488 0.335689 0.396869 H\n0.351883 0.961692 0.833218 H\n0.750000 0.455591 0.095889 Pb\n0.250000 0.544410 0.904111 Pb\n0.249999 0.955591 0.404112 Pb\n0.750000 0.044410 0.595888 Pb\n0.649312 0.722842 0.369064 C\n0.350688 0.277159 0.630935 C\n0.850688 0.722843 0.369065 C\n0.850687 0.777160 0.869066 C\n0.149312 0.222840 0.130934 C\n0.350689 0.222842 0.130936 C\n0.149312 0.277158 0.630935 C\n0.649311 0.777158 0.869063 C\n0.426997 0.111320 0.208586 O\n0.426996 0.388679 0.708586 O\n0.750000 -0.015549 0.121201 O\n0.926421 0.666333 0.948751 O\n0.573578 0.666335 0.948753 O\n0.926998 0.611322 0.291412 O\n0.750000 0.232848 0.863914 O\n0.426421 0.333666 0.051247 O\n0.573002 0.888680 0.791414 O\n0.926996 0.888679 0.791413 O\n0.573580 0.833666 0.448752 O\n0.250000 0.015548 0.878799 O\n0.073579 0.333668 0.051248 O\n0.750000 0.515548 0.621201 O\n0.250000 0.484454 0.378800 O\n0.573004 0.611322 0.291414 O\n0.250000 0.732849 0.636086 O\n0.073003 0.388679 0.708587 O\n0.750000 0.267153 0.363914 O\n0.250000 0.767152 0.136086 O\n0.073578 0.166333 0.551247 O\n0.926422 0.833667 0.448753 O\n0.073004 0.111321 0.208588 O\n0.426421 0.166335 0.551247 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.9764913457574362,
"density_atomic": 0.09398076728118003,
"volume": 553.3046973794305,
"volume_molar": 6.407843789977181,
"formula_full": "H16 Pb4 C8 O24",
"formula_reduced": "H4Pb(CO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 3.4155886015384613,
"spacegroup": 62
},
{
"id": "jvasp-21548",
"created_at": "2022-09-04T14:38:30.671650Z",
"updated_at": "2022-09-04T14:38:30.671666Z",
"structure_string": "Ag2 B2 F10\n1.0\n6.633715 -0.000000 0.000000\n0.000000 6.633715 0.000000\n0.000000 0.000000 4.055367\nAg B F\n2 2 10\ndirect\n-0.000000 0.500000 0.808672 Ag\n0.500000 0.000000 0.191329 Ag\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.691211 F\n-0.000000 0.500000 0.308790 F\n0.082156 0.154563 0.799624 F\n0.345437 0.582156 0.799624 F\n0.845436 0.082156 0.200377 F\n0.582156 0.654563 0.200377 F\n0.417844 0.345437 0.200377 F\n0.154563 0.917843 0.200377 F\n0.654563 0.417844 0.799624 F\n0.917843 0.845436 0.799624 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"B",
"F"
],
"chemical_system": "Ag-B-F",
"density": 3.976320052568604,
"density_atomic": 0.0784484296198219,
"volume": 178.4611886795827,
"volume_molar": 7.676559988752612,
"formula_full": "Ag2 B2 F10",
"formula_reduced": "AgBF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2514258936904762,
"spacegroup": 85
},
{
"id": "jvasp-119180",
"created_at": "2022-09-04T14:38:51.584816Z",
"updated_at": "2022-09-04T14:38:51.584838Z",
"structure_string": "In5 Ga5 S15\n1.0\n6.665352 0.001668 0.508406\n3.272617 5.742870 0.948584\n-0.074272 -0.065567 15.302621\nIn Ga S\n5 5 15\ndirect\n0.655458 0.668912 0.003536 In\n0.340407 0.322315 0.012530 In\n0.993713 0.016505 0.003824 In\n0.003204 0.416572 0.740469 In\n0.665893 0.082666 0.740056 In\n0.332463 0.925645 0.317080 Ga\n0.014582 0.574523 0.253892 Ga\n-0.024858 0.841414 0.447804 Ga\n0.687740 0.484311 0.447788 Ga\n0.331228 0.749035 0.753945 Ga\n0.671172 0.571627 0.289641 S\n0.324214 0.700790 0.901688 S\n0.666885 0.030853 0.903383 S\n0.003224 0.373379 0.903353 S\n0.030242 0.769736 0.678035 S\n0.333682 0.074381 0.676589 S\n0.331370 0.827859 0.471579 S\n0.329157 0.968240 0.092636 S\n0.666126 0.311390 0.092533 S\n0.993024 0.647448 0.091571 S\n0.356527 0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n",
"nsites": 25,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 3.976254699223959,
"density_atomic": 0.04264783551915896,
"volume": 586.1962206445176,
"volume_molar": 14.12062461480521,
"formula_full": "In5 Ga5 S15",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.883934459,
"spacegroup": 1
},
{
"id": "jvasp-76784",
"created_at": "2022-09-04T14:37:11.148045Z",
"updated_at": "2022-09-04T14:37:11.148067Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-9.153952 -0.000000 -5.285037\n-6.052988 0.216948 -0.085992\n-5.171250 2.710879 -1.613206\nLi Cd Ga\n2 1 1\ndirect\n0.758234 -0.000001 0.000000 Li\n0.241767 -0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Li",
"density": 3.9760943286452717,
"density_atomic": 0.04886254128318967,
"volume": 81.86229972807682,
"volume_molar": 12.324657297494708,
"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0004574999999999,
"spacegroup": 71
},
{
"id": "jvasp-91715",
"created_at": "2022-09-04T14:36:16.692814Z",
"updated_at": "2022-09-04T14:36:16.692842Z",
"structure_string": "Ba1 Mg6 W1\n1.0\n6.567331 -1.759927 0.000000\n-4.807807 8.327366 0.000000\n0.000000 0.000000 4.219356\nBa Mg W\n1 6 1\ndirect\n0.249987 0.374993 0.250000 Ba\n0.750002 0.375027 0.250000 Mg\n0.750002 0.874973 0.250000 Mg\n0.250006 0.084269 0.750001 Mg\n0.250006 0.665739 0.750001 Mg\n0.668530 0.084265 0.750001 Mg\n0.831446 0.665723 0.750001 Mg\n0.250018 0.875009 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"W"
],
"chemical_system": "Ba-Mg-W",
"density": 3.9757550742112073,
"density_atomic": 0.041015349892968345,
"volume": 195.0489273132232,
"volume_molar": 14.682651192090484,
"formula_full": "Ba1 Mg6 W1",
"formula_reduced": "BaMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4108937837499998,
"spacegroup": 123
},
{
"id": "jvasp-96851",
"created_at": "2022-09-04T14:36:02.193611Z",
"updated_at": "2022-09-04T14:36:02.193640Z",
"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"P",
"Pb",
"S"
],
"chemical_system": "P-Pb-Rb-S",
"density": 3.9757009193375814,
"density_atomic": 0.03708675252361791,
"volume": 754.986567836286,
"volume_molar": 16.237983512212153,
"formula_full": "Rb4 P4 Pb4 S16",
"formula_reduced": "RbPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4994966171428572,
"spacegroup": 19
}
]
}