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=-nelements&page=493",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=491",
"results": [
{
"id": "jvasp-26829",
"created_at": "2022-09-04T14:38:29.654514Z",
"updated_at": "2022-09-04T14:38:29.654539Z",
"structure_string": "Na1 Li3 H8 N4\n1.0\n4.625051 -0.000000 -1.871027\n-0.756908 4.562696 -1.871028\n0.035699 0.042110 6.740164\nNa Li H N\n1 3 8 4\ndirect\n0.250000 0.750001 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.012104 0.512104 0.024209 Li\n0.487896 0.987897 0.975790 Li\n0.538919 0.435969 0.224306 H\n0.211662 0.461081 0.775693 H\n0.564032 0.314614 0.775693 H\n0.685387 0.788339 0.224306 H\n0.413262 0.263205 0.339260 H\n0.923944 0.586738 0.660739 H\n0.736795 0.074002 0.660739 H\n0.925998 0.076056 0.339259 H\n0.346024 0.333842 0.204963 N\n0.128878 0.653976 0.795036 N\n0.666158 0.141061 0.795036 N\n0.858939 0.871123 0.204963 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N-Na",
"density": 1.2532994823340435,
"density_atomic": 0.11191591936833215,
"volume": 142.9644691327745,
"volume_molar": 5.380950979976519,
"formula_full": "Na1 Li3 H8 N4",
"formula_reduced": "NaLi3(H2N)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.288481375,
"spacegroup": 82
},
{
"id": "jvasp-45315",
"created_at": "2022-09-04T14:38:29.634805Z",
"updated_at": "2022-09-04T14:38:29.634825Z",
"structure_string": "Na2 Sm6 Si2 S14\n1.0\n5.065728 -8.774099 0.000000\n5.065728 8.774099 -0.000000\n0.000000 -0.000000 5.746581\nNa Sm Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.980383 Na\n0.000000 0.000000 0.480383 Na\n0.361173 0.234507 0.249622 Sm\n0.234507 0.873333 0.749622 Sm\n0.873333 0.638827 0.249622 Sm\n0.765494 0.126668 0.249622 Sm\n0.126668 0.361173 0.749622 Sm\n0.638827 0.765494 0.749622 Sm\n0.333333 0.666667 0.335357 Si\n0.666667 0.333333 0.835357 Si\n0.477656 0.889244 0.483331 S\n0.889244 0.411587 0.983331 S\n0.588413 0.477656 0.983331 S\n0.522344 0.110756 0.983331 S\n0.333333 0.666667 0.967147 S\n0.666667 0.333333 0.467148 S\n0.831347 0.091165 0.728816 S\n0.110756 0.588413 0.483331 S\n0.740182 0.831347 0.228817 S\n0.091165 0.259818 0.228817 S\n0.411587 0.522344 0.483331 S\n0.259818 0.168654 0.728816 S\n0.908836 0.740182 0.728816 S\n0.168654 0.908836 0.228817 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Sm",
"Si",
"S"
],
"chemical_system": "Na-S-Si-Sm",
"density": 4.723856530090314,
"density_atomic": 0.046981547330349024,
"volume": 510.8388583127091,
"volume_molar": 12.818097960153459,
"formula_full": "Na2 Sm6 Si2 S14",
"formula_reduced": "NaSm3SiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.91372201875,
"spacegroup": 173
},
{
"id": "jvasp-40171",
"created_at": "2022-09-04T14:38:16.862745Z",
"updated_at": "2022-09-04T14:38:16.862763Z",
"structure_string": "K4 Si4 Bi4 S16\n1.0\n0.000000 6.546008 -0.016297\n6.712770 0.000000 0.000000\n0.000000 -5.215280 -16.227023\nK Si Bi S\n4 4 4 16\ndirect\n0.219886 0.246877 0.965105 K\n0.780114 0.746877 0.534895 K\n0.780114 0.753123 0.034895 K\n0.219886 0.253123 0.465105 K\n0.292665 0.734108 0.844536 Si\n0.707335 0.234108 0.655464 Si\n0.707335 0.265892 0.155464 Si\n0.292665 0.765892 0.344536 Si\n0.739016 0.711938 0.279076 Bi\n0.260984 0.211938 0.220924 Bi\n0.260984 0.288062 0.720924 Bi\n0.739016 0.788062 0.779076 Bi\n0.903478 0.190755 0.781610 S\n0.096523 0.690755 0.718390 S\n0.487650 0.504307 0.360819 S\n0.512351 0.004307 0.139181 S\n0.512351 0.495693 0.639181 S\n0.487650 0.995693 0.860819 S\n0.090242 0.757540 0.421342 S\n0.480961 0.996783 0.630735 S\n0.909758 0.242460 0.578658 S\n0.090242 0.742460 0.921342 S\n0.519039 0.003217 0.369265 S\n0.480961 0.503217 0.130735 S\n0.903478 0.309245 0.281610 S\n0.519039 0.496783 0.869265 S\n0.909758 0.257540 0.078658 S\n0.096523 0.809245 0.218390 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Si",
"Bi",
"S"
],
"chemical_system": "Bi-K-S-Si",
"density": 3.7642782004893944,
"density_atomic": 0.03923679451844472,
"volume": 713.615888954373,
"volume_molar": 15.348197613770582,
"formula_full": "K4 Si4 Bi4 S16",
"formula_reduced": "KSiBiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6164529857142855,
"spacegroup": 14
},
{
"id": "jvasp-44749",
"created_at": "2022-09-04T14:38:09.182172Z",
"updated_at": "2022-09-04T14:38:09.182201Z",
"structure_string": "Li4 Ti1 V3 O10\n1.0\n6.644193 0.000000 0.000000\n0.000000 6.644193 0.000000\n0.000000 0.000000 4.519162\nLi Ti V O\n4 1 3 10\ndirect\n0.751019 0.751019 0.000000 Li\n0.751019 0.248980 0.000000 Li\n0.248980 0.248980 0.000000 Li\n0.248980 0.751019 0.000000 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.606579 V\n0.500000 0.000000 0.393420 V\n0.000000 0.000000 0.500000 V\n0.500000 0.279045 0.258191 O\n0.500000 0.720955 0.258191 O\n0.279045 0.500000 0.741809 O\n0.217491 0.000000 0.264851 O\n0.782508 0.000000 0.264851 O\n0.000000 0.217491 0.735148 O\n0.000000 0.500000 0.235851 O\n0.500000 0.000000 0.764149 O\n0.000000 0.782508 0.735148 O\n0.720955 0.500000 0.741809 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.233264811124479,
"density_atomic": 0.09022567016977869,
"volume": 199.49976504612482,
"volume_molar": 6.674531481637175,
"formula_full": "Li4 Ti1 V3 O10",
"formula_reduced": "Li4TiV3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.913665885185185,
"spacegroup": 115
},
{
"id": "jvasp-11723",
"created_at": "2022-09-04T14:38:09.182770Z",
"updated_at": "2022-09-04T14:38:09.182797Z",
"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736583 -4.739902 0.000000\n2.736583 4.739902 -0.000000\n-0.000000 -0.000000 7.727790\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.242624 Fe\n0.666666 0.333332 0.242624 Fe\n0.333332 0.666666 0.757376 Fe\n0.666666 0.333332 0.757376 Fe\n0.328022 -0.000000 0.303633 O\n0.671977 0.671977 0.303633 O\n-0.000000 0.328022 0.303633 O\n0.671977 -0.000000 0.696367 O\n-0.000000 0.671977 0.696367 O\n0.328022 0.328022 0.696367 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Fe-O",
"density": 4.3798676529246015,
"density_atomic": 0.06983364985163393,
"volume": 200.47641831329022,
"volume_molar": 8.623551501023396,
"formula_full": "Ba1 Ca1 Fe4 O8",
"formula_reduced": "BaCa(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.7224954564285717,
"spacegroup": 162
},
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S-Si",
"density": 3.8799449554133387,
"density_atomic": 0.042435084989538054,
"volume": 659.831363761923,
"volume_molar": 14.191419108703796,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.230908629821428,
"spacegroup": 15
},
{
"id": "jvasp-109886",
"created_at": "2022-09-04T14:38:09.216779Z",
"updated_at": "2022-09-04T14:38:09.216803Z",
"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n6.966020 -0.000000 4.021834\n2.322007 6.567627 4.021834\n-0.000000 -0.000000 8.043667\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753165 0.246836 0.246835 Br\n0.246835 0.246836 0.753165 Br\n0.246836 0.753165 0.753164 Br\n0.246836 0.753165 0.246835 Br\n0.753165 0.246836 0.753164 Br\n0.753165 0.753165 0.246835 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Pr-Rb",
"density": 4.057204875840929,
"density_atomic": 0.027173946776223697,
"volume": 367.9995431782353,
"volume_molar": 22.161450486350308,
"formula_full": "Rb2 Pr1 Ag1 Br6",
"formula_reduced": "Rb2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-46500",
"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.513201210881948,
"density_atomic": 0.09944743594974502,
"volume": 100.55563428556792,
"volume_molar": 6.0556018387877195,
"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.39655921,
"spacegroup": 12
},
{
"id": "jvasp-25831",
"created_at": "2022-09-04T14:38:29.632361Z",
"updated_at": "2022-09-04T14:38:29.632384Z",
"structure_string": "K1 As4 Cl1 O6\n1.0\n2.659766 -4.606850 0.000000\n2.659766 4.606850 0.000000\n0.000000 -0.000000 8.796992\nK As Cl O\n1 4 1 6\ndirect\n0.000000 0.000000 0.500000 K\n0.666668 0.333334 0.794331 As\n0.333334 0.666668 0.794331 As\n0.333334 0.666668 0.205669 As\n0.666668 0.333334 0.205669 As\n0.000000 0.000000 0.000000 Cl\n0.500001 0.500001 0.680968 O\n0.500001 0.500001 0.319032 O\n0.000000 0.500000 0.680968 O\n0.500000 0.000000 0.680968 O\n0.000000 0.500000 0.319032 O\n0.500000 0.000000 0.319032 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-K-O",
"density": 3.6220256591029423,
"density_atomic": 0.055663377104265915,
"volume": 215.5816018406894,
"volume_molar": 10.818856262924223,
"formula_full": "K1 As4 Cl1 O6",
"formula_reduced": "KAs4ClO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 2.211507505625,
"spacegroup": 191
},
{
"id": "jvasp-56665",
"created_at": "2022-09-04T14:38:14.677377Z",
"updated_at": "2022-09-04T14:38:14.677405Z",
"structure_string": "Mo2 Pb6 Cl4 O10\n1.0\n5.632647 0.000000 0.000000\n-2.816324 6.552494 -0.000000\n0.000000 0.000000 11.130250\nMo Pb Cl O\n2 6 4 10\ndirect\n0.233735 0.467470 0.250000 Mo\n0.766265 0.532530 0.750000 Mo\n0.349456 0.698911 0.532809 Pb\n0.650544 0.301089 0.032809 Pb\n0.349456 0.698911 0.967191 Pb\n0.100802 0.201604 0.750000 Pb\n0.650544 0.301089 0.467191 Pb\n0.899199 0.798395 0.250000 Pb\n0.000000 0.000000 0.000000 Cl\n0.517840 0.035680 0.750000 Cl\n0.482161 0.964319 0.250000 Cl\n0.000000 0.000000 0.500000 Cl\n0.103722 0.207444 0.250000 O\n0.037768 0.541645 0.368839 O\n0.496124 0.458354 0.631161 O\n0.962232 0.458354 0.868839 O\n0.962232 0.458354 0.631161 O\n0.896278 0.792556 0.750000 O\n0.496124 0.458354 0.868839 O\n0.037768 0.541645 0.131161 O\n0.503876 0.541645 0.368839 O\n0.503876 0.541645 0.131161 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mo",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Pb",
"density": 7.0209572093805175,
"density_atomic": 0.05355482381616471,
"volume": 410.7939944965263,
"volume_molar": 11.244814810094304,
"formula_full": "Mo2 Pb6 Cl4 O10",
"formula_reduced": "MoPb3Cl2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 1.935434908636364,
"spacegroup": 63
},
{
"id": "jvasp-26736",
"created_at": "2022-09-04T14:38:28.964422Z",
"updated_at": "2022-09-04T14:38:28.964460Z",
"structure_string": "Na2 Sr6 Bi2 O12\n1.0\n7.007306 -0.008358 -0.163340\n-0.166997 7.005322 -0.163340\n-0.008171 -0.008358 7.009206\nNa Sr Bi O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750000 Na\n0.750000 0.398919 0.101080 Sr\n0.898920 0.250000 0.601081 Sr\n0.101080 0.750000 0.398920 Sr\n0.250000 0.601080 0.898920 Sr\n0.398920 0.101080 0.750000 Sr\n0.601080 0.898919 0.250000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.445515 0.793564 0.573112 O\n0.926888 0.706435 0.054485 O\n0.293564 0.945514 0.073112 O\n0.945515 0.073111 0.293565 O\n0.426888 0.554485 0.206436 O\n0.573112 0.445514 0.793565 O\n0.073112 0.293564 0.945515 O\n0.206436 0.426888 0.554486 O\n0.793565 0.573111 0.445515 O\n0.054485 0.926888 0.706436 O\n0.554486 0.206435 0.426888 O\n0.706436 0.054485 0.926889 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O-Sr",
"density": 5.703318548206379,
"density_atomic": 0.06394567845037259,
"volume": 344.0420139896383,
"volume_molar": 9.41758834363405,
"formula_full": "Na2 Sr6 Bi2 O12",
"formula_reduced": "NaSr3BiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.2124402936363634,
"spacegroup": 167
},
{
"id": "jvasp-46517",
"created_at": "2022-09-04T14:38:29.940446Z",
"updated_at": "2022-09-04T14:38:29.940474Z",
"structure_string": "Li3 Al2 V1 O6\n1.0\n2.490928 4.312284 0.013878\n-2.490928 4.312284 -0.013878\n-1.692513 0.000000 4.748198\nLi Al V O\n3 2 1 6\ndirect\n0.167951 0.167951 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.832048 0.832048 0.500000 Li\n0.333466 0.333466 0.000000 Al\n0.666533 0.666533 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.273990 0.726009 0.778796 O\n0.420678 0.926545 0.219272 O\n0.073454 0.579321 0.219272 O\n0.926545 0.420677 0.780728 O\n0.579322 0.073454 0.780728 O\n0.726010 0.273990 0.221205 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Al",
"V",
"O"
],
"chemical_system": "Al-Li-O-V",
"density": 3.602241113984046,
"density_atomic": 0.11740653395081443,
"volume": 102.2089622799631,
"volume_molar": 5.129306314862236,
"formula_full": "Li3 Al2 V1 O6",
"formula_reduced": "Li3Al2VO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.238832566666667,
"spacegroup": 12
}
]
}