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=4190",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4188",
"results": [
{
"id": "jvasp-66035",
"created_at": "2022-09-04T14:35:47.475234Z",
"updated_at": "2022-09-04T14:35:47.475252Z",
"structure_string": "Ba1 Sc1 Cl1\n1.0\n-0.000000 4.036821 4.036821\n4.036821 0.000000 4.036821\n4.036821 4.036821 0.000000\nBa Sc Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Cl"
],
"chemical_system": "Ba-Cl-Sc",
"density": 2.748088339025994,
"density_atomic": 0.02280199162219264,
"volume": 131.5674547077796,
"volume_molar": 26.410591056172446,
"formula_full": "Ba1 Sc1 Cl1",
"formula_reduced": "BaScCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7493884291666666,
"spacegroup": 216
},
{
"id": "jvasp-51399",
"created_at": "2022-09-04T14:36:48.806576Z",
"updated_at": "2022-09-04T14:36:48.806607Z",
"structure_string": "Na2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.436955 -0.023080\n7.060032 0.000000 0.000000\n0.000000 -2.453215 -4.906570\nNa Ca Si H O\n2 2 2 2 8\ndirect\n0.364169 0.765371 0.746998 Na\n0.635829 0.265371 0.253002 Na\n0.996474 0.514206 0.006604 Ca\n0.003524 0.014206 0.993396 Ca\n0.656022 0.754908 0.374207 Si\n0.343976 0.254909 0.625793 Si\n0.964523 -0.000461 0.467610 H\n0.035475 0.499539 0.532390 H\n0.323358 0.763635 0.196851 O\n0.676640 0.263635 0.803149 O\n0.763638 0.761310 0.704848 O\n0.236360 0.261310 0.295152 O\n0.789250 0.572153 0.289323 O\n0.210748 0.072153 0.710677 O\n0.790648 0.951876 0.296242 O\n0.209350 0.451876 0.703757 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-Na-O-Si",
"density": 2.7477953411489313,
"density_atomic": 0.08477324029856785,
"volume": 188.7388041750989,
"volume_molar": 7.103822785103258,
"formula_full": "Na2 Ca2 Si2 H2 O8",
"formula_reduced": "NaCaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7437990025,
"spacegroup": 4
},
{
"id": "jvasp-26785",
"created_at": "2022-09-04T14:38:30.538067Z",
"updated_at": "2022-09-04T14:38:30.538092Z",
"structure_string": "Na6 Ti3 F18\n1.0\n5.078973 0.000088 -0.000000\n0.000004 8.015890 -4.628229\n-0.000000 -0.000000 9.256459\nNa Ti F\n6 3 18\ndirect\n-0.000008 0.627933 0.001471 Na\n0.000007 0.372067 0.373538 Na\n0.499993 0.292448 0.001448 Na\n0.500000 0.000000 0.293912 Na\n0.500006 0.707552 0.709000 Na\n0.000000 0.000000 0.629377 Na\n0.498797 0.333340 0.668133 Ti\n0.000000 0.000000 0.001462 Ti\n0.501201 0.666659 0.334793 Ti\n0.711299 0.225180 0.753979 F\n0.714043 0.859362 0.410583 F\n0.714059 0.549757 0.142098 F\n0.288700 0.774820 0.528799 F\n0.285910 0.409119 0.860817 F\n0.714088 0.590882 0.451698 F\n0.787778 0.889913 0.084735 F\n0.212221 0.110087 0.194822 F\n0.285956 0.140639 0.551222 F\n0.212223 0.083282 0.891384 F\n0.212263 0.806643 0.918198 F\n0.288690 0.752511 0.226642 F\n0.711308 0.247489 0.474131 F\n0.285939 0.450244 0.592341 F\n0.787736 0.193358 0.111556 F\n0.288737 0.472641 0.248952 F\n0.787776 0.916718 0.808102 F\n0.711262 0.527359 0.776311 F\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Na",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti",
"density": 2.7473917773976906,
"density_atomic": 0.07164588132617318,
"volume": 376.8534841113964,
"volume_molar": 8.405424915612048,
"formula_full": "Na6 Ti3 F18",
"formula_reduced": "Na2TiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 150
},
{
"id": "jvasp-118716",
"created_at": "2022-09-04T14:38:53.523211Z",
"updated_at": "2022-09-04T14:38:53.523236Z",
"structure_string": "Sr1 Mg1 O1\n1.0\n2.699991 1.768918 0.000000\n0.475148 7.766812 0.000000\n0.000000 0.000000 3.841496\nSr Mg O\n1 1 1\ndirect\n0.199082 0.380207 0.000000 Sr\n-0.091873 -0.104957 0.000000 Mg\n0.113806 0.096431 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sr",
"density": 2.747021819906889,
"density_atomic": 0.0387954574951789,
"volume": 77.32864086917415,
"volume_molar": 15.522798669788518,
"formula_full": "Sr1 Mg1 O1",
"formula_reduced": "SrMgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-112983",
"created_at": "2022-09-04T14:38:46.217241Z",
"updated_at": "2022-09-04T14:38:46.217268Z",
"structure_string": "Mg4 B2 P4 O20\n1.0\n6.449753 0.026968 0.683877\n0.888793 6.388278 0.683877\n-0.043789 -0.038280 8.252881\nMg B P O\n4 2 4 20\ndirect\n0.918608 0.765144 0.331907 Mg\n0.539294 0.136044 0.343452 Mg\n0.234856 0.081391 0.668093 Mg\n0.863956 0.460706 0.656548 Mg\n0.725030 0.727545 0.976153 B\n0.272455 0.274969 0.023848 B\n0.323962 0.540751 0.741650 P\n0.459248 0.676038 0.258350 P\n0.025456 0.245944 0.322684 P\n0.754055 0.974545 0.677317 P\n0.460489 0.185314 0.097786 O\n0.301292 0.478278 0.931573 O\n0.521722 0.698708 0.068428 O\n0.183427 0.410960 0.666734 O\n0.258229 0.773933 0.711208 O\n0.515795 0.446747 0.320735 O\n0.814685 0.539511 0.902214 O\n0.249559 0.117536 0.919892 O\n0.882464 0.750442 0.080109 O\n0.857269 0.780392 0.589646 O\n0.090673 0.318868 0.141004 O\n0.681131 0.909328 0.858996 O\n0.923488 0.446646 0.402401 O\n0.907442 0.133423 0.679897 O\n0.219609 0.142730 0.410355 O\n0.866576 0.092558 0.320104 O\n0.589039 0.816574 0.333267 O\n0.553253 0.484205 0.679265 O\n0.553354 0.076511 0.597600 O\n0.226067 0.741770 0.288793 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"B",
"P",
"O"
],
"chemical_system": "B-Mg-O-P",
"density": 2.7468586968259414,
"density_atomic": 0.08818855559011406,
"volume": 340.1801945757574,
"volume_molar": 6.828710051664665,
"formula_full": "Mg4 B2 P4 O20",
"formula_reduced": "Mg2B(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.573071778888889,
"spacegroup": 5
},
{
"id": "jvasp-94185",
"created_at": "2022-09-04T14:35:48.874040Z",
"updated_at": "2022-09-04T14:35:48.874072Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.096692 0.035820 0.000000\n-3.017326 5.297800 0.000000\n0.000000 0.000000 4.875717\nMg Cr Cu\n6 1 1\ndirect\n0.165505 0.850304 0.250000 Mg\n0.649695 0.334494 0.250000 Mg\n0.662610 0.837389 0.250000 Mg\n0.327365 0.648100 0.750000 Mg\n0.851900 0.172634 0.750000 Mg\n0.835522 0.664477 0.750000 Mg\n0.333816 0.166184 0.750000 Cr\n0.173582 0.326418 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Cu"
],
"chemical_system": "Cr-Cu-Mg",
"density": 2.74681360462419,
"density_atomic": 0.05063034095604334,
"volume": 158.00802145388485,
"volume_molar": 11.89433183005493,
"formula_full": "Mg6 Cr1 Cu1",
"formula_reduced": "Mg6CrCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001037499999999,
"spacegroup": 38
},
{
"id": "jvasp-113480",
"created_at": "2022-09-04T14:38:48.168068Z",
"updated_at": "2022-09-04T14:38:48.168095Z",
"structure_string": "Ba1 I2\n1.0\n4.938912 0.000000 0.000000\n0.000000 5.462895 0.000000\n0.000000 0.000000 8.765572\nBa I\n1 2\ndirect\n0.466687 0.000000 0.000000 Ba\n-0.033344 0.000000 0.741396 I\n-0.033344 0.000000 0.258603 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 2.7462648495623974,
"density_atomic": 0.012684894280505364,
"volume": 236.501773973041,
"volume_molar": 47.47489909517857,
"formula_full": "Ba1 I2",
"formula_reduced": "BaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1760533333333333,
"spacegroup": 47
},
{
"id": "jvasp-37198",
"created_at": "2022-09-04T14:38:04.520019Z",
"updated_at": "2022-09-04T14:38:04.520045Z",
"structure_string": "Mg3 Mn1\n1.0\n4.260202 0.000000 0.000000\n0.000000 4.260202 0.000000\n-0.000000 -0.000000 4.260202\nMg Mn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.745804405696407,
"density_atomic": 0.05173320865763116,
"volume": 77.31977396708334,
"volume_molar": 11.640764059028989,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6767560344827588,
"spacegroup": 221
},
{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.745623485919137,
"density_atomic": 0.10908943195027732,
"volume": 146.66865262707353,
"volume_molar": 5.520370444998628,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122069609375,
"spacegroup": 5
},
{
"id": "jvasp-65649",
"created_at": "2022-09-04T14:36:20.003450Z",
"updated_at": "2022-09-04T14:36:20.003488Z",
"structure_string": "Ba1 Na1 Sr2\n1.0\n4.532913 -4.547454 0.000000\n4.532913 4.547454 0.000000\n0.000000 0.000000 4.922674\nBa Na Sr\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sr"
],
"chemical_system": "Ba-Na-Sr",
"density": 2.7456067373966406,
"density_atomic": 0.019709845562524152,
"volume": 202.9442588634742,
"volume_molar": 30.553972332742983,
"formula_full": "Ba1 Na1 Sr2",
"formula_reduced": "BaNaSr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-11373",
"created_at": "2022-09-04T14:36:53.417986Z",
"updated_at": "2022-09-04T14:36:53.417994Z",
"structure_string": "K4 V2 Cu2 S8\n1.0\n5.273859 -0.000000 1.263569\n2.636930 6.389309 0.631785\n0.026230 -0.000000 11.528265\nK V Cu S\n4 2 2 8\ndirect\n0.445608 0.750000 0.108786 K\n0.195608 0.250000 0.608786 K\n0.804393 0.750000 0.391215 K\n0.554393 0.250000 0.891215 K\n0.375000 0.250000 0.250000 V\n0.625000 0.750000 0.750001 V\n0.125000 0.750000 0.750001 Cu\n0.875000 0.250000 0.250000 Cu\n0.101505 0.449385 0.138020 S\n0.898495 0.550615 0.861981 S\n0.239524 0.949385 0.861981 S\n0.550889 0.550615 0.638020 S\n0.188909 0.050615 0.361980 S\n0.449111 0.449385 0.361980 S\n0.760476 0.050615 0.138020 S\n0.811091 0.949385 0.638021 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-V",
"density": 2.7453577515977012,
"density_atomic": 0.041210742487285235,
"volume": 388.2482827126079,
"volume_molar": 14.613036302022497,
"formula_full": "K4 V2 Cu2 S8",
"formula_reduced": "K2VCuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2648225812500002,
"spacegroup": 70
},
{
"id": "jvasp-54980",
"created_at": "2022-09-04T14:38:34.164807Z",
"updated_at": "2022-09-04T14:38:34.164834Z",
"structure_string": "K4 Sn2 Cl12\n1.0\n0.000000 7.015815 -0.002433\n7.077218 0.000000 0.000000\n0.000000 -6.934034 -9.977637\nK Sn Cl\n4 2 12\ndirect\n0.736389 0.545342 0.748285 K\n0.263611 0.454659 0.251715 K\n0.736389 0.954659 0.248285 K\n0.263611 0.045342 0.751715 K\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.229838 0.717825 0.025283 Cl\n0.186952 0.001271 0.244474 Cl\n0.311947 0.206534 0.030840 Cl\n0.813048 0.998729 0.755525 Cl\n0.311947 0.293466 0.530840 Cl\n0.770161 0.217825 0.474717 Cl\n0.229839 0.782176 0.525283 Cl\n0.186952 0.498729 0.744475 Cl\n0.688053 0.793466 0.969160 Cl\n0.770162 0.282175 0.974717 Cl\n0.688053 0.706534 0.469160 Cl\n0.813048 0.501271 0.255525 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Sn",
"Cl"
],
"chemical_system": "Cl-K-Sn",
"density": 2.745314273922089,
"density_atomic": 0.03632448367197287,
"volume": 495.53354047777924,
"volume_molar": 16.578737400324133,
"formula_full": "K4 Sn2 Cl12",
"formula_reduced": "K2SnCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}