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=1027",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1025",
"results": [
{
"id": "jvasp-55816",
"created_at": "2022-09-04T14:38:13.504475Z",
"updated_at": "2022-09-04T14:38:13.504496Z",
"structure_string": "Lu4 V4 O14\n1.0\n6.071406 -0.000000 3.505328\n2.023802 5.724176 3.505328\n-0.000000 -0.000000 7.010655\nLu V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.000000 -0.000000 Lu\n0.000001 0.499999 1.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.500000 0.499999 0.500001 V\n0.500000 0.499999 0.000001 V\n0.000001 0.499999 0.500000 V\n0.499999 0.000000 0.500000 V\n0.582499 0.167502 0.582498 O\n0.167501 0.582498 0.167502 O\n0.167502 0.167502 0.582498 O\n0.875000 0.875002 0.875000 O\n0.417503 0.417503 0.832498 O\n0.832498 0.417503 0.417502 O\n0.417502 0.832499 0.417502 O\n0.832498 0.417503 0.832498 O\n0.417502 0.832499 0.832498 O\n0.582499 0.582498 0.167502 O\n0.832499 0.832499 0.417501 O\n0.125001 0.124999 0.124999 O\n0.582499 0.167502 0.167502 O\n0.167501 0.582498 0.582498 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"V",
"O"
],
"chemical_system": "Lu-O-V",
"density": 7.6851646209726825,
"density_atomic": 0.09029461097724217,
"volume": 243.64687728202153,
"volume_molar": 6.669435412394455,
"formula_full": "Lu4 V4 O14",
"formula_reduced": "Lu2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8184576727272725,
"spacegroup": 227
},
{
"id": "jvasp-64134",
"created_at": "2022-09-04T14:35:54.331199Z",
"updated_at": "2022-09-04T14:35:54.331229Z",
"structure_string": "Ba4 W1 Cl1\n1.0\n0.000000 4.957281 4.957281\n4.957281 -0.000000 4.957281\n4.957281 4.957281 0.000000\nBa W Cl\n4 1 1\ndirect\n0.123410 0.625530 0.625530 Ba\n0.625530 0.625530 0.625530 Ba\n0.625530 0.123410 0.625530 Ba\n0.625530 0.625530 0.123410 Ba\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"W",
"Cl"
],
"chemical_system": "Ba-Cl-W",
"density": 5.238288759445347,
"density_atomic": 0.024625816720358563,
"volume": 243.64674147191644,
"volume_molar": 24.454582880986838,
"formula_full": "Ba4 W1 Cl1",
"formula_reduced": "Ba4WCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4518063245833333,
"spacegroup": 216
},
{
"id": "jvasp-44631",
"created_at": "2022-09-04T14:38:13.682203Z",
"updated_at": "2022-09-04T14:38:13.682232Z",
"structure_string": "Mn8 O16\n1.0\n5.685122 0.002677 -0.002737\n-2.840277 -4.924855 0.000349\n-0.004384 0.001455 -8.704160\nMn O\n8 16\ndirect\n0.830186 0.165495 0.788923 Mn\n0.664229 0.331408 0.514118 Mn\n0.332361 0.165496 0.788928 Mn\n0.830183 0.663323 0.788918 Mn\n0.164951 0.332860 0.288925 Mn\n0.330897 0.664760 0.014113 Mn\n0.662773 0.830687 0.288921 Mn\n0.164947 0.830683 0.288921 Mn\n0.665038 0.831834 0.901297 O\n0.330891 0.664744 0.400207 O\n0.036584 0.517589 0.159332 O\n0.478043 0.517597 0.159330 O\n0.831285 0.665536 0.401291 O\n0.163844 0.330641 0.901297 O\n0.517090 0.478583 0.659325 O\n0.997584 0.998115 0.680663 O\n0.330086 0.164335 0.401303 O\n0.997559 0.998082 0.180663 O\n0.478051 0.959066 0.159333 O\n0.664250 0.331440 0.900208 O\n0.517082 0.037117 0.659340 O\n0.831296 0.164331 0.401308 O\n0.958547 0.478592 0.659325 O\n0.163830 0.831839 0.901308 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.74024394694363,
"density_atomic": 0.09850742672487439,
"volume": 243.6364525796682,
"volume_molar": 6.113387548757613,
"formula_full": "Mn8 O16",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0909880804597707,
"spacegroup": 186
},
{
"id": "jvasp-7974",
"created_at": "2022-09-04T14:36:45.655176Z",
"updated_at": "2022-09-04T14:36:45.655186Z",
"structure_string": "In4 Se4\n1.0\n2.036679 -3.527632 -0.000000\n2.036679 3.527632 0.000000\n0.000000 0.000000 16.952517\nIn Se\n4 4\ndirect\n0.333333 0.666667 0.332989 In\n0.666667 0.333333 0.832989 In\n0.666667 0.333333 0.667011 In\n0.333333 0.666667 0.167011 In\n0.333333 0.666667 0.591472 Se\n0.666667 0.333333 0.091472 Se\n0.666667 0.333333 0.408528 Se\n0.333333 0.666667 0.908528 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Se"
],
"chemical_system": "In-Se",
"density": 5.283765255873178,
"density_atomic": 0.03284127003546518,
"volume": 243.59593862724634,
"volume_molar": 18.33711288721998,
"formula_full": "In4 Se4",
"formula_reduced": "InSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0890594555555555,
"spacegroup": 194
},
{
"id": "jvasp-46821",
"created_at": "2022-09-04T14:38:10.749918Z",
"updated_at": "2022-09-04T14:38:10.749939Z",
"structure_string": "Li3 Co4 S8\n1.0\n-0.000000 -0.000000 -6.735094\n1.954695 6.202296 -3.367547\n5.833104 0.005952 -3.367547\nLi Co S\n3 4 8\ndirect\n0.356474 0.426537 0.359227 Li\n0.857761 0.426537 0.359227 Li\n0.356520 0.426527 0.860435 Li\n0.998734 0.999122 0.003411 Co\n0.996716 0.990449 0.508781 Co\n0.504053 0.990449 0.508781 Co\n0.504047 0.990492 0.001415 Co\n0.267651 0.193227 0.271471 S\n0.769414 0.187594 0.273578 S\n0.730312 0.807757 0.233719 S\n0.228212 0.807757 0.233719 S\n0.269766 0.187583 0.773230 S\n0.769421 0.187583 0.773230 S\n0.228193 0.807762 0.735853 S\n0.730183 0.803875 0.735760 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Co",
"S"
],
"chemical_system": "Co-Li-S",
"density": 3.4976345052693825,
"density_atomic": 0.06157934601310998,
"volume": 243.58816666884647,
"volume_molar": 9.779481514334224,
"formula_full": "Li3 Co4 S8",
"formula_reduced": "Li3(CoS2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.46800624,
"spacegroup": 160
},
{
"id": "jvasp-56672",
"created_at": "2022-09-04T14:38:30.919075Z",
"updated_at": "2022-09-04T14:38:30.919097Z",
"structure_string": "Y2 Mo2 Cl2 O8\n1.0\n6.094277 -0.002274 1.518874\n1.778964 5.828850 1.518874\n0.009334 0.006908 6.859892\nY Mo Cl O\n2 2 2 8\ndirect\n0.778352 0.778353 0.110256 Y\n0.221646 0.221648 0.889743 Y\n0.362654 0.362654 0.269265 Mo\n0.637345 0.637347 0.730734 Mo\n0.990215 0.990217 0.762517 Cl\n0.009784 0.009784 0.237482 Cl\n0.889515 0.509246 0.846258 O\n0.110483 0.490755 0.153740 O\n0.457696 0.457698 0.798704 O\n0.294801 0.294802 0.535285 O\n0.542302 0.542303 0.201295 O\n0.705198 0.705199 0.464714 O\n0.490754 0.110484 0.153740 O\n0.509244 0.889517 0.846259 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Y",
"density": 3.8762054723952177,
"density_atomic": 0.05747570356316166,
"volume": 243.58118530232534,
"volume_molar": 10.477715602701759,
"formula_full": "Y2 Mo2 Cl2 O8",
"formula_reduced": "YMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6526999167857146,
"spacegroup": 12
},
{
"id": "jvasp-19054",
"created_at": "2022-09-04T14:37:03.876258Z",
"updated_at": "2022-09-04T14:37:03.876276Z",
"structure_string": "Li8 Sn4 O12\n1.0\n5.247841 0.000000 0.941932\n2.623920 4.629275 0.470967\n0.027714 -0.000000 10.031459\nLi Sn O\n8 4 12\ndirect\n0.843263 0.845579 0.999077 Li\n0.311156 0.845579 0.500924 Li\n0.156736 0.154421 0.000923 Li\n0.688844 0.154421 0.499077 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.085233 0.829535 0.250000 Li\n0.914767 0.170464 0.750000 Li\n0.250468 0.499064 0.750000 Sn\n0.582942 0.834117 0.750000 Sn\n0.749532 0.500935 0.250000 Sn\n0.417058 0.165883 0.250000 Sn\n0.470216 0.833964 0.131937 O\n0.393298 0.483149 0.368059 O\n0.876447 0.516850 0.868059 O\n0.606702 0.516850 0.631941 O\n0.304180 0.166035 0.631937 O\n0.695820 0.833964 0.368064 O\n0.529783 0.166035 0.868063 O\n0.775187 0.183088 0.129171 O\n0.123553 0.483149 0.131941 O\n0.958275 0.816911 0.629171 O\n0.224812 0.816911 0.870829 O\n0.041725 0.183088 0.370829 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.924486219936759,
"density_atomic": 0.09853009475836877,
"volume": 243.58040108310695,
"volume_molar": 6.111981090415527,
"formula_full": "Li8 Sn4 O12",
"formula_reduced": "Li2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.329592033333333,
"spacegroup": 15
},
{
"id": "jvasp-64502",
"created_at": "2022-09-04T14:36:14.915942Z",
"updated_at": "2022-09-04T14:36:14.915976Z",
"structure_string": "Ba4 Ge1 Pb1\n1.0\n0.000000 4.956763 4.956763\n4.956763 0.000000 4.956763\n4.956763 4.956763 0.000000\nBa Ge Pb\n4 1 1\ndirect\n0.125713 0.624762 0.624762 Ba\n0.624762 0.624762 0.624762 Ba\n0.624762 0.125713 0.624762 Ba\n0.624762 0.624762 0.125713 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pb"
],
"chemical_system": "Ba-Ge-Pb",
"density": 5.652709882512104,
"density_atomic": 0.024633537992996384,
"volume": 243.57037148727372,
"volume_molar": 24.446917701030877,
"formula_full": "Ba4 Ge1 Pb1",
"formula_reduced": "Ba4GePb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0537151083333332,
"spacegroup": 216
},
{
"id": "jvasp-11092",
"created_at": "2022-09-04T14:38:14.849251Z",
"updated_at": "2022-09-04T14:38:14.849275Z",
"structure_string": "Mg1 Ti4 S8\n1.0\n6.984383 0.029454 0.020827\n3.517700 6.092834 0.000000\n3.517700 2.030945 5.744380\nMg Ti S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500000 Ti\n0.500000 -0.000001 0.500000 Ti\n0.248734 0.253887 0.253888 S\n0.248734 0.253887 0.743491 S\n0.248734 0.743490 0.253888 S\n0.739830 0.253389 0.253390 S\n0.260171 0.746609 0.746610 S\n0.751266 0.746111 0.256510 S\n0.751266 0.256508 0.746113 S\n0.751267 0.746111 0.746113 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 3.2200236021340394,
"density_atomic": 0.0533754809113349,
"volume": 243.557524504464,
"volume_molar": 11.282597659407934,
"formula_full": "Mg1 Ti4 S8",
"formula_reduced": "Mg(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.685540183333333,
"spacegroup": 166
},
{
"id": "jvasp-22272",
"created_at": "2022-09-04T14:37:55.996762Z",
"updated_at": "2022-09-04T14:37:55.996792Z",
"structure_string": "Pr1 Fe4 P12\n1.0\n6.424383 -0.000000 -2.271362\n-3.212191 5.563679 -2.271362\n0.000000 0.000000 6.814087\nPr Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.647505 0.496018 0.848515 P\n0.848514 0.352495 0.201010 P\n0.647505 0.798991 0.151488 P\n0.496018 0.848514 0.647506 P\n0.151487 0.647505 0.798992 P\n0.503982 0.151487 0.352495 P\n0.352495 0.503982 0.151487 P\n0.151487 0.352495 0.503982 P\n0.798991 0.151487 0.647505 P\n0.201009 0.848514 0.352496 P\n0.352495 0.201009 0.848515 P\n0.848514 0.647505 0.496019 P\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Pr",
"Fe",
"P"
],
"chemical_system": "Fe-P-Pr",
"density": 5.017757796400831,
"density_atomic": 0.06979876812120973,
"volume": 243.55730706419467,
"volume_molar": 8.627861095688955,
"formula_full": "Pr1 Fe4 P12",
"formula_reduced": "Pr(FeP3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.732588697058824,
"spacegroup": 204
},
{
"id": "jvasp-117228",
"created_at": "2022-09-04T14:38:43.856174Z",
"updated_at": "2022-09-04T14:38:43.856203Z",
"structure_string": "Al5 S8\n1.0\n6.070602 -0.000000 3.504863\n2.023534 5.723418 3.504863\n-0.000000 -0.000000 7.009727\nAl S\n5 8\ndirect\n0.633242 0.633243 0.100272 Al\n0.633242 0.100273 0.633242 Al\n0.100272 0.633243 0.633243 Al\n0.633242 0.633243 0.633242 Al\n0.250000 0.250000 0.250000 Al\n0.871786 0.871787 0.384638 S\n0.871786 0.384639 0.871787 S\n0.384638 0.871787 0.871787 S\n0.871786 0.871787 0.871787 S\n0.383488 0.383488 0.849536 S\n0.383487 0.849536 0.383488 S\n0.849536 0.383488 0.383488 S\n0.383488 0.383488 0.383488 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 2.6687771813768437,
"density_atomic": 0.05337710585425006,
"volume": 243.5501099572055,
"volume_molar": 11.282254186736683,
"formula_full": "Al5 S8",
"formula_reduced": "Al5S8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.143341846153846,
"spacegroup": 216
},
{
"id": "jvasp-85228",
"created_at": "2022-09-04T14:37:17.691902Z",
"updated_at": "2022-09-04T14:37:17.691931Z",
"structure_string": "Sn4 Bi4\n1.0\n6.575777 -0.094233 -0.000000\n-3.233789 5.726458 -0.000000\n-0.000000 -0.000000 6.520202\nSn Bi\n4 4\ndirect\n0.331779 0.331779 0.830470 Sn\n0.668221 0.668221 0.169530 Sn\n0.831780 0.831780 0.669529 Sn\n0.168221 0.168221 0.330470 Sn\n0.205660 0.794341 0.000000 Bi\n0.705660 0.294341 0.500000 Bi\n0.294341 0.705660 0.500000 Bi\n0.794341 0.205660 0.000000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Bi"
],
"chemical_system": "Bi-Sn",
"density": 8.937322229402255,
"density_atomic": 0.032849184780229794,
"volume": 243.5372461606652,
"volume_molar": 18.332694708528695,
"formula_full": "Sn4 Bi4",
"formula_reduced": "SnBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.463273,
"spacegroup": 64
}
]
}