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&page=718",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=716",
"results": [
{
"id": "jvasp-36866",
"created_at": "2022-09-04T14:38:13.908691Z",
"updated_at": "2022-09-04T14:38:13.908720Z",
"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n0.000000 4.720725 -0.012504\n6.036889 0.000000 0.000000\n0.000000 -0.198125 -10.126371\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500001 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 Li\n0.478448 0.750000 0.218232 Fe\n0.521554 0.250000 0.781768 Fe\n0.949813 0.250000 0.283287 Cu\n0.050189 0.750000 0.716712 Cu\n0.576560 0.750000 0.905764 P\n0.084828 0.250000 0.594268 P\n0.915174 0.750000 0.405732 P\n0.423442 0.250000 0.094235 P\n0.702286 0.959701 0.837302 O\n0.702286 0.540299 0.837302 O\n0.229733 0.450500 0.667224 O\n0.229733 0.049500 0.667224 O\n0.760000 0.250000 0.600184 O\n0.801100 0.750000 0.548117 O\n0.198902 0.250000 0.451883 O\n0.748713 0.250000 0.093542 O\n0.770269 0.950500 0.332776 O\n0.770269 0.549500 0.332776 O\n0.297716 0.459701 0.162698 O\n0.297716 0.040299 0.162698 O\n0.251289 0.750000 0.906457 O\n0.711235 0.750000 0.048094 O\n0.240002 0.750000 0.399816 O\n0.288767 0.250000 0.951905 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Fe-Li-O-P",
"density": 3.7194038861580436,
"density_atomic": 0.09701967115580494,
"volume": 288.60126679912673,
"volume_molar": 6.207133757780913,
"formula_full": "Li4 Fe2 Cu2 P4 O16",
"formula_reduced": "Li2FeCu(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.4716403535714284,
"spacegroup": 11
},
{
"id": "jvasp-28744",
"created_at": "2022-09-04T14:37:56.894682Z",
"updated_at": "2022-09-04T14:37:56.894709Z",
"structure_string": "Mo3 W1 S8\n1.0\n3.191442 -0.000000 -0.000000\n-1.595721 2.763794 0.000147\n-0.000000 0.001797 32.719154\nMo W S\n3 1 8\ndirect\n0.333478 0.666956 0.089457 Mo\n0.666652 0.333304 0.280063 Mo\n0.666601 0.333203 0.662269 Mo\n0.333270 0.666539 0.471127 W\n0.333275 0.666551 0.327945 S\n0.333235 0.666470 0.710116 S\n0.666854 0.333708 0.041610 S\n0.666619 0.333236 0.422963 S\n0.666770 0.333539 0.137346 S\n0.666586 0.333172 0.519291 S\n0.333356 0.666713 0.232180 S\n0.333302 0.666604 0.614381 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-W",
"density": 4.189798660863398,
"density_atomic": 0.04158019824850731,
"volume": 288.5989125949102,
"volume_molar": 14.483193956912382,
"formula_full": "Mo3 W1 S8",
"formula_reduced": "Mo3WS8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.096498975,
"spacegroup": 156
},
{
"id": "jvasp-57156",
"created_at": "2022-09-04T14:37:31.404944Z",
"updated_at": "2022-09-04T14:37:31.404956Z",
"structure_string": "Zr12 O4\n1.0\n5.430121 -0.022273 9.474623\n2.505481 4.817601 9.474623\n-0.036859 -0.022273 10.920319\nZr O\n12 4\ndirect\n0.500000 0.840143 0.159857 Zr\n0.159856 0.500000 0.840143 Zr\n0.415284 0.076132 0.757733 Zr\n-0.000000 0.341929 0.658071 Zr\n0.341929 0.658071 -0.000000 Zr\n0.242266 0.923869 0.584716 Zr\n0.658070 0.000001 0.341929 Zr\n0.923868 0.584716 0.242267 Zr\n0.757733 0.415285 0.076131 Zr\n0.840143 0.159857 0.500000 Zr\n0.584715 0.242268 0.923869 Zr\n0.076131 0.757733 0.415284 Zr\n0.291527 0.291528 0.291527 O\n0.125161 0.125161 0.125161 O\n0.708472 0.708473 0.708473 O\n0.874838 0.874840 0.874839 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 6.666952235166176,
"density_atomic": 0.055441199668648106,
"volume": 288.59404370082507,
"volume_molar": 10.862212210399749,
"formula_full": "Zr12 O4",
"formula_reduced": "Zr3O",
"formula_anonymous": "AB3",
"energy_above_hull": 3.45464675,
"spacegroup": 155
},
{
"id": "jvasp-45953",
"created_at": "2022-09-04T14:38:04.804191Z",
"updated_at": "2022-09-04T14:38:04.804220Z",
"structure_string": "Na4 Al2 P2 C2 O14\n1.0\n0.000000 5.136402 -0.022426\n6.361425 0.000000 0.000000\n0.000000 -0.235279 -8.831241\nNa Al P C O\n4 2 2 2 14\ndirect\n0.772547 0.508130 0.224404 Na\n0.772547 0.991871 0.224404 Na\n0.227452 0.491871 0.775596 Na\n0.227452 0.008129 0.775596 Na\n0.217786 0.250000 0.352313 Al\n0.782213 0.750001 0.647687 Al\n0.278836 0.750001 0.429780 P\n0.721164 0.250000 0.570220 P\n0.292440 0.250000 0.085435 C\n0.707559 0.750001 0.914565 C\n0.526884 0.750001 0.804950 O\n0.790917 0.052687 0.663083 O\n0.790917 0.447314 0.663083 O\n0.123681 0.750001 0.578378 O\n0.422415 0.250000 0.530389 O\n0.577585 0.750001 0.469612 O\n0.058547 0.250000 0.141242 O\n0.209082 0.552687 0.336917 O\n0.209082 0.947314 0.336917 O\n0.473115 0.250000 0.195051 O\n0.941453 0.750001 0.858758 O\n0.656158 0.750001 0.052464 O\n0.876319 0.250000 0.421623 O\n0.343841 0.250000 0.947536 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"C",
"O"
],
"chemical_system": "Al-C-Na-O-P",
"density": 2.623110102631917,
"density_atomic": 0.08316212406595462,
"volume": 288.59291738347093,
"volume_molar": 7.241446545092971,
"formula_full": "Na4 Al2 P2 C2 O14",
"formula_reduced": "Na2AlPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.464562566666666,
"spacegroup": 11
},
{
"id": "jvasp-107757",
"created_at": "2022-09-04T14:38:49.382528Z",
"updated_at": "2022-09-04T14:38:49.382555Z",
"structure_string": "Ge2 Sb2 Te5\n1.0\n5.738308 0.006559 4.927405\n2.459491 5.184508 4.927405\n0.067821 0.042946 9.786685\nGe Sb Te\n2 2 5\ndirect\n0.508821 0.508821 0.006624 Ge\n0.720952 0.720953 0.199675 Ge\n0.888889 0.888890 0.429402 Sb\n0.108284 0.108285 0.578193 Sb\n0.588859 0.588860 0.599082 Te\n0.786554 0.786556 0.811524 Te\n-0.002149 -0.002149 -0.003584 Te\n0.199227 0.199227 0.190389 Te\n0.400562 0.400562 0.388700 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Sb-Te",
"density": 5.90849146178921,
"density_atomic": 0.031187758616092888,
"volume": 288.57476136024724,
"volume_molar": 19.309309252164642,
"formula_full": "Ge2 Sb2 Te5",
"formula_reduced": "Ge2Sb2Te5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.225000325925926,
"spacegroup": 8
},
{
"id": "jvasp-47957",
"created_at": "2022-09-04T14:36:41.034986Z",
"updated_at": "2022-09-04T14:36:41.035005Z",
"structure_string": "Fe8 O2 F14\n1.0\n4.833451 -0.057423 0.000000\n-0.057423 4.833451 0.000000\n0.000000 0.000000 12.353483\nFe O F\n8 2 14\ndirect\n0.973227 0.973227 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.026774 0.026774 0.500000 Fe\n0.000000 0.000000 0.750000 Fe\n0.504580 0.504580 0.115348 Fe\n0.495420 0.495420 0.615348 Fe\n0.504580 0.504580 0.884652 Fe\n0.495420 0.495420 0.384652 Fe\n0.303259 0.303259 0.500000 O\n0.696742 0.696742 0.000000 O\n0.800476 0.206970 0.371568 F\n0.793030 0.199525 0.128432 F\n0.696792 0.696792 0.747340 F\n0.724136 0.724136 0.500000 F\n0.696792 0.696792 0.252659 F\n0.303209 0.303209 0.752659 F\n0.206970 0.800476 0.371568 F\n0.275864 0.275864 0.000000 F\n0.199525 0.793030 0.871568 F\n0.206970 0.800476 0.628432 F\n0.800476 0.206970 0.628432 F\n0.199525 0.793030 0.128432 F\n0.303209 0.303209 0.247341 F\n0.793030 0.199525 0.871568 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.2855734613229,
"density_atomic": 0.08317034079004393,
"volume": 288.564406157549,
"volume_molar": 7.240731134194045,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3724047897916662,
"spacegroup": 63
},
{
"id": "jvasp-54780",
"created_at": "2022-09-04T14:37:04.711996Z",
"updated_at": "2022-09-04T14:37:04.712012Z",
"structure_string": "Sb4 H4 O12\n1.0\n5.373006 5.362724 0.000000\n0.000000 5.362724 5.007192\n5.373006 0.000000 5.007192\nSb H O\n4 4 12\ndirect\n0.997968 0.496866 0.002440 Sb\n0.997275 0.997559 0.503134 Sb\n0.496867 0.997967 0.002726 Sb\n0.997561 0.997273 0.002033 Sb\n0.588216 0.052082 0.264499 H\n0.052083 0.588215 0.595205 H\n0.404796 0.735501 0.947918 H\n0.735502 0.404794 0.411785 H\n0.308745 0.308743 0.941256 O\n0.930911 0.930910 0.319090 O\n0.897364 0.337506 0.341910 O\n0.337508 0.897362 0.923221 O\n0.681711 0.070252 0.690165 O\n0.076780 0.658090 0.662493 O\n0.680911 0.680910 0.069090 O\n0.058745 0.058744 0.691256 O\n0.942128 0.309834 0.929748 O\n0.658091 0.076779 0.102637 O\n0.070253 0.681710 0.057873 O\n0.309836 0.942127 0.318290 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"H",
"O"
],
"chemical_system": "H-O-Sb",
"density": 3.930826169198034,
"density_atomic": 0.0693111307141529,
"volume": 288.5539421147565,
"volume_molar": 8.688562281339777,
"formula_full": "Sb4 H4 O12",
"formula_reduced": "SbHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1932513200000003,
"spacegroup": 43
},
{
"id": "jvasp-21710",
"created_at": "2022-09-04T14:38:31.164085Z",
"updated_at": "2022-09-04T14:38:31.164114Z",
"structure_string": "Cu4 Sn2 Se6\n1.0\n7.003576 -0.017716 -1.178055\n-1.783974 5.849328 -3.520639\n-0.019661 -0.006332 7.056322\nCu Sn Se\n4 2 6\ndirect\n0.381145 0.383543 0.888099 Cu\n0.881146 0.888100 0.383542 Cu\n0.879677 0.200443 0.037529 Cu\n0.379676 0.037530 0.200443 Cu\n0.896695 0.550617 0.733939 Sn\n0.396695 0.733940 0.550617 Sn\n0.994426 0.582921 0.396075 Se\n0.519679 0.761441 0.235725 Se\n0.018383 0.949051 0.118612 Se\n0.494425 0.396076 0.582920 Se\n0.518383 0.118612 0.949050 Se\n0.019678 0.235726 0.761441 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.555609467657451,
"density_atomic": 0.04158845231442285,
"volume": 288.5416343285852,
"volume_molar": 14.480319475393236,
"formula_full": "Cu4 Sn2 Se6",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6462221166666666,
"spacegroup": 9
},
{
"id": "jvasp-30660",
"created_at": "2022-09-04T14:37:42.272183Z",
"updated_at": "2022-09-04T14:37:42.272211Z",
"structure_string": "Ta4 Mo2 O16\n1.0\n5.064156 0.003567 -0.016369\n-0.008447 5.674927 -1.742749\n-0.006029 -0.018475 10.045464\nTa Mo O\n4 2 16\ndirect\n0.755996 0.324642 0.277013 Ta\n0.743402 0.048041 0.722515 Ta\n0.243506 0.672465 0.722479 Ta\n0.256101 0.949065 0.276976 Ta\n0.749785 0.668240 0.999538 Mo\n0.249723 0.328864 0.999952 Mo\n0.880566 0.587523 0.385108 O\n0.618884 0.202754 0.614314 O\n0.118932 0.409587 0.614384 O\n0.380615 0.794356 0.385178 O\n0.079602 0.921026 0.661734 O\n0.419786 0.258417 0.337730 O\n0.069949 0.667037 0.107883 O\n0.569534 0.437947 0.108038 O\n0.929553 0.330070 0.891609 O\n0.919901 0.076079 0.337757 O\n0.580606 0.905054 0.118527 O\n0.919118 0.786941 0.881039 O\n0.418897 0.092043 0.880965 O\n0.080385 0.210169 0.118453 O\n0.429966 0.559155 0.891454 O\n0.579717 0.738690 0.661761 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"O"
],
"chemical_system": "Mo-O-Ta",
"density": 6.743102272464757,
"density_atomic": 0.0762484491493605,
"volume": 288.5304585920816,
"volume_molar": 7.898050159949395,
"formula_full": "Ta4 Mo2 O16",
"formula_reduced": "Ta2MoO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.0376293,
"spacegroup": 15
},
{
"id": "jvasp-120665",
"created_at": "2022-09-04T14:38:51.628668Z",
"updated_at": "2022-09-04T14:38:51.628684Z",
"structure_string": "Cd8 Sn2 N8\n1.0\n6.038327 0.005758 0.372028\n2.091482 5.237165 2.243933\n0.005761 -0.017283 9.120491\nCd Sn N\n8 2 8\ndirect\n0.714783 0.633177 0.207688 Cd\n0.285216 0.366825 0.792311 Cd\n0.751350 0.238638 0.995424 Cd\n0.248649 0.761364 0.004575 Cd\n0.750053 0.478929 0.588941 Cd\n0.249947 0.521072 0.411058 Cd\n0.248080 0.924045 0.585574 Cd\n0.751919 0.075957 0.414426 Cd\n0.272901 0.159903 0.212859 Sn\n0.727098 0.840099 0.787140 Sn\n0.955125 0.704714 0.622238 N\n0.044874 0.295288 0.377762 N\n0.853692 0.834223 0.993402 N\n0.146307 0.165779 0.006598 N\n0.476444 0.662915 0.811839 N\n0.523555 0.337087 0.188160 N\n0.444549 0.781272 0.370468 N\n0.555450 0.218730 0.629532 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"N"
],
"chemical_system": "Cd-N-Sn",
"density": 7.186995370297549,
"density_atomic": 0.06238658843885248,
"volume": 288.52355050064165,
"volume_molar": 9.652941298276847,
"formula_full": "Cd8 Sn2 N8",
"formula_reduced": "Cd4SnN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.808571522222222,
"spacegroup": 2
},
{
"id": "jvasp-119743",
"created_at": "2022-09-04T14:38:50.500678Z",
"updated_at": "2022-09-04T14:38:50.500700Z",
"structure_string": "V6 O6 F12\n1.0\n5.035259 -0.000791 -0.025062\n-2.516673 4.353381 -0.014665\n0.007756 -0.022615 13.162768\nV O F\n6 6 12\ndirect\n0.011601 0.017388 0.500873 V\n0.980407 0.979001 0.998320 V\n0.602566 0.305499 0.165508 V\n0.301911 0.694466 0.334796 V\n0.732424 0.359834 0.667013 V\n0.354223 0.661628 0.835369 V\n0.937471 0.269793 0.582043 O\n0.073511 0.748089 0.417111 O\n0.663537 0.735726 0.917269 O\n0.321905 0.255475 0.084326 O\n0.391379 0.001284 0.250319 O\n0.009699 0.595395 0.749031 O\n0.933451 0.649438 0.085415 F\n-0.003017 0.391763 0.250505 F\n0.339494 0.065069 0.585438 F\n0.051636 0.330273 0.916722 F\n0.286821 0.349734 0.413953 F\n0.620921 -0.005308 0.745791 F\n0.715058 0.049435 0.087495 F\n0.399779 0.378314 0.749209 F\n0.607732 0.611201 0.249792 F\n0.277262 0.942829 0.915923 F\n0.720618 0.665934 0.584105 F\n0.669637 0.947749 0.413673 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6239235390867894,
"density_atomic": 0.08318755350040637,
"volume": 288.50469800007716,
"volume_molar": 7.239232921990646,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.90742456625,
"spacegroup": 1
},
{
"id": "jvasp-111768",
"created_at": "2022-09-04T14:38:41.304875Z",
"updated_at": "2022-09-04T14:38:41.304901Z",
"structure_string": "Ti2 Cr2 Cu2 Se8\n1.0\n6.484385 0.003509 -3.597087\n-2.130689 5.999020 -3.802397\n0.004950 -0.003509 7.415273\nTi Cr Cu Se\n2 2 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.499999 Cr\n0.623847 0.873846 0.749999 Cu\n0.376154 0.126153 0.250000 Cu\n0.233519 0.743279 0.490239 Se\n0.753039 0.743279 0.009760 Se\n0.755313 0.739422 0.484108 Se\n0.755313 0.271204 0.015891 Se\n0.766482 0.256721 0.509760 Se\n0.246961 0.256721 0.990239 Se\n0.244688 0.260578 0.515891 Se\n0.244687 0.728796 0.984108 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Cu",
"Se"
],
"chemical_system": "Cr-Cu-Se-Ti",
"density": 5.516844182726141,
"density_atomic": 0.04852643137272798,
"volume": 288.5025666212094,
"volume_molar": 12.41002189867286,
"formula_full": "Ti2 Cr2 Cu2 Se8",
"formula_reduced": "TiCrCuSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.13864137857143,
"spacegroup": 74
}
]
}