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=-id&page=491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=489",
"results": [
{
"id": "jvasp-87318",
"created_at": "2022-09-04T14:36:22.166582Z",
"updated_at": "2022-09-04T14:36:22.166607Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-O-Si",
"density": 2.5649860518484178,
"density_atomic": 0.10171737498479104,
"volume": 334.2595107776202,
"volume_molar": 5.920464189034017,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 2.927907311764706,
"spacegroup": 9
},
{
"id": "jvasp-87317",
"created_at": "2022-09-04T14:36:16.487887Z",
"updated_at": "2022-09-04T14:36:16.487909Z",
"structure_string": "Cr4 H48 I6 N18\n1.0\n7.606984 0.000000 0.000000\n-3.803492 6.587918 0.000000\n0.000000 -0.000000 17.362185\nCr H I N\n4 48 6 18\ndirect\n0.333336 0.666671 0.329197 Cr\n0.666664 0.333329 0.670803 Cr\n0.666664 0.333329 0.829197 Cr\n0.333336 0.666671 0.170803 Cr\n0.682287 0.731359 0.390105 H\n0.049071 0.731359 0.390105 H\n0.682269 0.950934 0.390111 H\n0.268658 0.317728 0.390107 H\n0.731334 0.049066 0.609889 H\n0.950930 0.682273 0.609893 H\n0.317712 0.268642 0.609895 H\n0.317731 0.049066 0.609889 H\n0.731342 0.682273 0.609893 H\n0.731334 0.049066 0.890111 H\n0.317712 0.268642 0.890105 H\n0.049069 0.317728 0.390107 H\n0.950929 0.268642 0.890105 H\n0.317731 0.049066 0.890111 H\n0.731342 0.682273 0.890108 H\n0.268665 0.950934 0.109889 H\n0.049069 0.317728 0.109893 H\n0.682287 0.731359 0.109895 H\n0.049071 0.731359 0.109895 H\n0.682269 0.950934 0.109889 H\n0.268658 0.317728 0.109893 H\n0.950930 0.682273 0.890108 H\n0.268665 0.950934 0.390111 H\n0.950929 0.268642 0.609895 H\n0.221047 0.442093 0.041200 H\n0.557912 0.778947 0.041201 H\n0.603003 0.986919 0.250000 H\n0.013074 0.616084 0.250000 H\n0.603010 0.616084 0.250000 H\n0.013074 0.396996 0.250000 H\n0.383916 0.986919 0.250000 H\n0.616078 0.603004 0.750000 H\n0.396997 0.013081 0.750000 H\n0.986926 0.383916 0.750000 H\n0.396990 0.383916 0.750000 H\n0.986925 0.603004 0.750000 H\n0.383922 0.396996 0.250000 H\n0.221034 0.778947 0.458800 H\n0.221047 0.442093 0.458800 H\n0.616084 0.013081 0.750000 H\n0.557912 0.778947 0.458800 H\n0.778965 0.221054 0.541201 H\n0.778953 0.557907 0.541200 H\n0.442088 0.221054 0.541201 H\n0.778965 0.221054 0.958800 H\n0.778953 0.557907 0.958800 H\n0.442088 0.221054 0.958800 H\n0.221034 0.778947 0.041201 H\n0.333335 0.666670 0.594314 I\n0.666665 0.333331 0.405686 I\n0.666665 0.333331 0.094314 I\n-0.000002 -0.000005 0.750000 I\n0.000002 0.000005 0.250000 I\n0.333335 0.666670 0.905686 I\n0.797781 0.202219 0.598989 N\n0.202218 0.797781 0.098989 N\n0.404437 0.202219 0.901011 N\n0.797778 0.595557 0.901011 N\n0.797781 0.202219 0.901011 N\n0.404437 0.202219 0.598989 N\n0.797778 0.595557 0.598989 N\n0.595563 0.797781 0.401011 N\n0.447620 0.552386 0.250000 N\n0.202218 0.797781 0.401011 N\n0.895234 0.447614 0.750000 N\n0.552385 0.104771 0.750000 N\n0.552380 0.447614 0.750000 N\n0.104766 0.552386 0.250000 N\n0.447615 0.895230 0.250000 N\n0.202222 0.404443 0.098989 N\n0.202222 0.404443 0.401011 N\n0.595563 0.797781 0.098989 N\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Cr",
"H",
"I",
"N"
],
"chemical_system": "Cr-H-I-N",
"density": 2.4235834540950703,
"density_atomic": 0.0873471069520764,
"volume": 870.0917826814565,
"volume_molar": 6.894493670298765,
"formula_full": "Cr4 H48 I6 N18",
"formula_reduced": "Cr2H24(IN3)3",
"formula_anonymous": "A2B3C9D24",
"energy_above_hull": 3.970456917763158,
"spacegroup": 194
},
{
"id": "jvasp-87313",
"created_at": "2022-09-04T14:36:08.918935Z",
"updated_at": "2022-09-04T14:36:08.918952Z",
"structure_string": "Ag6 P3 H3 O12\n1.0\n6.424635 -0.000000 0.000000\n-3.212317 5.563896 0.000000\n-0.000000 0.000000 8.512652\nAg P H O\n6 3 3 12\ndirect\n0.137097 0.074300 0.005714 Ag\n0.925700 0.062798 0.339048 Ag\n0.937201 0.862904 0.672381 Ag\n0.605977 0.793777 0.001007 Ag\n0.206223 0.812200 0.334340 Ag\n0.187800 0.394023 0.667673 Ag\n0.991950 0.503280 0.997505 P\n0.496720 0.488672 0.330839 P\n0.511328 0.008049 0.664172 P\n0.698714 0.372370 0.493390 H\n0.627630 0.326345 0.826723 H\n0.673655 0.301286 0.160056 H\n0.702384 0.169343 0.543533 O\n0.154183 0.413576 0.923434 O\n0.586424 0.740608 0.256768 O\n0.259392 0.845818 0.590101 O\n0.150763 0.748050 0.080764 O\n0.597285 0.849238 0.747430 O\n0.251950 0.402714 0.414097 O\n0.833215 0.302256 0.121386 O\n0.697743 0.530960 0.454720 O\n0.469040 0.166785 0.788053 O\n0.830656 0.533042 0.876867 O\n0.466959 0.297616 0.210200 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"P",
"H",
"O"
],
"chemical_system": "Ag-H-O-P",
"density": 5.103130671553597,
"density_atomic": 0.07887128183588091,
"volume": 304.29326671703313,
"volume_molar": 7.635403685375819,
"formula_full": "Ag6 P3 H3 O12",
"formula_reduced": "Ag2PHO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9713855025,
"spacegroup": 144
},
{
"id": "jvasp-87310",
"created_at": "2022-09-04T14:35:59.230077Z",
"updated_at": "2022-09-04T14:35:59.230097Z",
"structure_string": "Ca4 B10 H4 Cl2 O20\n1.0\n11.470728 0.000000 -0.000103\n0.003282 5.680419 3.166268\n0.003282 -5.680419 3.166268\nCa B H Cl O\n4 10 4 2 20\ndirect\n0.502188 0.756530 0.253390 Ca\n0.002187 0.253390 0.756530 Ca\n0.777006 0.370836 0.321318 Ca\n0.277006 0.321317 0.370836 Ca\n0.061599 0.803268 0.291809 B\n0.561599 0.291809 0.803268 B\n0.336950 0.251090 0.779289 B\n0.836950 0.779290 0.251090 B\n0.225500 0.639353 0.013688 B\n0.725500 0.013688 0.639353 B\n0.271901 0.922328 0.854014 B\n0.771901 0.854014 0.922329 B\n0.264457 0.852308 0.450232 B\n0.764457 0.450233 0.852309 B\n0.512538 0.715088 0.783604 H\n0.012538 0.783603 0.715087 H\n0.543083 -0.009537 -0.046901 H\n0.043083 -0.046902 -0.009537 H\n0.026911 0.393296 0.411543 Cl\n0.526911 0.411543 0.393296 Cl\n0.502587 0.856262 0.949722 O\n0.095912 0.627945 0.061091 O\n0.595912 0.061091 0.627946 O\n0.240856 0.876056 0.028311 O\n0.740856 0.028311 0.876057 O\n0.254829 0.427885 0.784190 O\n0.754829 0.784190 0.427885 O\n0.450298 0.368431 0.872204 O\n0.950298 0.872204 0.368431 O\n0.292833 0.161915 0.935813 O\n0.293239 0.654538 0.212072 O\n0.793238 0.212072 0.654538 O\n0.143723 0.941850 0.466893 O\n0.643723 0.466893 0.941850 O\n0.347709 0.051643 0.524487 O\n0.847709 0.524487 0.051644 O\n0.274592 0.752322 0.611203 O\n0.774592 0.611203 0.752322 O\n0.792833 0.935813 0.161915 O\n0.002587 0.949722 0.856262 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Ca-Cl-H-O",
"density": 2.669570164343686,
"density_atomic": 0.0969417748779597,
"volume": 412.6188121721118,
"volume_molar": 6.212121417811147,
"formula_full": "Ca4 B10 H4 Cl2 O20",
"formula_reduced": "Ca2B5H2ClO10",
"formula_anonymous": "AB2C2D5E10",
"energy_above_hull": 3.088476641208334,
"spacegroup": 9
},
{
"id": "jvasp-8731",
"created_at": "2022-09-04T14:36:39.755351Z",
"updated_at": "2022-09-04T14:36:39.755369Z",
"structure_string": "Y6 Co1 Bi2\n1.0\n4.186690 -7.251560 0.000000\n4.186690 7.251560 -0.000000\n-0.000000 -0.000000 4.090633\nY Co Bi\n6 1 2\ndirect\n-0.000000 0.768348 0.000000 Y\n0.396784 -0.000000 0.500000 Y\n0.603216 0.603216 0.500000 Y\n0.231652 0.231652 0.000000 Y\n0.768348 -0.000000 0.000000 Y\n-0.000000 0.396784 0.500000 Y\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Y",
"density": 6.754437605131933,
"density_atomic": 0.036234289208625384,
"volume": 248.38351176646228,
"volume_molar": 16.620005225786137,
"formula_full": "Y6 Co1 Bi2",
"formula_reduced": "Y6CoBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.906341355555556,
"spacegroup": 189
},
{
"id": "jvasp-87305",
"created_at": "2022-09-04T14:35:49.384230Z",
"updated_at": "2022-09-04T14:35:49.384258Z",
"structure_string": "Mg16 Si16 O48\n1.0\n5.511450 -0.000000 0.000000\n0.000000 8.124339 0.000000\n0.000000 0.000000 19.671819\nMg Si O\n16 16 48\ndirect\n0.963118 0.558075 0.117967 Mg\n0.462895 0.942599 0.367871 Mg\n0.463118 0.441925 0.382033 Mg\n0.036882 0.441925 0.882034 Mg\n0.037105 0.942599 0.867871 Mg\n0.536882 0.558075 0.617967 Mg\n0.463118 0.941925 0.117967 Mg\n0.537105 0.057401 0.632129 Mg\n0.036882 0.941925 0.617967 Mg\n0.962895 0.557401 0.367871 Mg\n0.536882 0.058075 0.882034 Mg\n0.462895 0.442599 0.132129 Mg\n0.037105 0.442599 0.632129 Mg\n0.537105 0.557401 0.867871 Mg\n0.962895 0.057401 0.132129 Mg\n0.963118 0.058075 0.382033 Mg\n0.254703 0.649779 0.008438 Si\n0.750314 0.349816 0.241747 Si\n0.250314 0.650184 0.258253 Si\n0.245297 0.149779 0.991562 Si\n0.749686 0.849816 0.758253 Si\n0.745297 0.350221 0.991562 Si\n0.745297 0.850221 0.508438 Si\n0.249686 0.650184 0.758253 Si\n0.754703 0.850221 0.008438 Si\n0.750314 0.849816 0.258253 Si\n0.749686 0.349816 0.741747 Si\n0.754703 0.350221 0.491562 Si\n0.254703 0.149779 0.491562 Si\n0.245297 0.649779 0.508438 Si\n0.250314 0.150184 0.241747 Si\n0.249686 0.150184 0.741747 Si\n0.257323 0.485014 0.555126 O\n0.242677 0.985014 0.444874 O\n0.748386 0.880810 0.177403 O\n0.003673 0.257157 0.962008 O\n0.758468 0.014750 0.804922 O\n0.258468 0.985250 0.695078 O\n0.744398 0.382290 0.072328 O\n0.755602 0.382290 0.572328 O\n0.503673 0.742843 0.537993 O\n0.242677 0.485014 0.055126 O\n0.755602 0.882290 0.927672 O\n0.758468 0.514750 0.695078 O\n0.996326 0.742843 0.037993 O\n0.241532 0.985250 0.195078 O\n0.496327 0.257157 0.462007 O\n0.757323 0.014986 0.555126 O\n0.258468 0.485250 0.804922 O\n0.748386 0.380810 0.322597 O\n0.741532 0.014750 0.304922 O\n0.742677 0.014986 0.055126 O\n0.490177 0.259013 0.212142 O\n0.257323 0.985014 0.944874 O\n0.757323 0.514986 0.944874 O\n0.241532 0.485250 0.304922 O\n0.009823 0.759013 0.787858 O\n0.255602 0.617710 0.927672 O\n0.244398 0.617710 0.427672 O\n0.003673 0.757157 0.537993 O\n0.741532 0.514750 0.195078 O\n0.744398 0.882290 0.427672 O\n0.251614 0.619190 0.677403 O\n0.251614 0.119190 0.822597 O\n0.990177 0.240987 0.212142 O\n0.490177 0.759013 0.287858 O\n0.248386 0.619190 0.177403 O\n0.751614 0.880810 0.677403 O\n0.244398 0.117710 0.072328 O\n0.248386 0.119190 0.322597 O\n0.509823 0.240987 0.712142 O\n0.742677 0.514986 0.444874 O\n0.255602 0.117710 0.572328 O\n0.496327 0.757157 0.037993 O\n0.503673 0.242843 0.962008 O\n0.009823 0.259013 0.712142 O\n0.509823 0.740987 0.787858 O\n0.990177 0.740987 0.287858 O\n0.996326 0.242843 0.462007 O\n0.751614 0.380810 0.822597 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.0279972895727756,
"density_atomic": 0.09082210400676255,
"volume": 880.8428396906909,
"volume_molar": 6.630699460069319,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.44775163,
"spacegroup": 61
},
{
"id": "jvasp-87304",
"created_at": "2022-09-04T14:35:44.657378Z",
"updated_at": "2022-09-04T14:35:44.657401Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.492348 0.000000 0.000000\n0.000000 8.434219 0.000000\n0.000000 0.000000 9.549996\nMg Si O\n8 8 24\ndirect\n-0.017602 0.892924 0.694681 Mg\n0.942592 0.625364 0.537172 Mg\n0.017602 0.107076 0.194681 Mg\n0.517602 0.392924 0.194681 Mg\n0.057408 0.374636 0.037172 Mg\n0.557408 0.125364 0.037172 Mg\n0.482398 0.607076 0.694681 Mg\n0.442592 0.874636 0.537172 Mg\n0.254361 0.835943 0.964610 Si\n0.245639 0.335943 0.464610 Si\n0.745639 0.164057 0.464610 Si\n0.754362 0.664057 0.964610 Si\n0.285058 0.180878 0.756271 Si\n0.714943 0.819123 0.256271 Si\n0.785058 0.319123 0.756271 Si\n0.214942 0.680878 0.256271 Si\n0.025596 0.210910 0.405166 O\n0.245496 0.545215 0.136799 O\n0.529584 0.258889 0.840190 O\n0.765530 0.154377 0.635565 O\n0.745496 0.954785 0.136799 O\n0.322854 0.008005 0.900266 O\n0.789492 0.272770 0.129281 O\n0.234470 0.845624 0.135565 O\n0.254505 0.045215 0.636799 O\n0.474404 0.710910 0.905167 O\n0.029584 0.241111 0.840190 O\n0.210509 0.727230 0.629281 O\n0.734470 0.654376 0.135565 O\n0.525596 0.289090 0.405166 O\n0.470416 0.741111 0.340190 O\n0.677146 0.991995 0.400266 O\n0.710509 0.772770 0.629281 O\n0.970417 0.758890 0.340190 O\n0.265530 0.345623 0.635565 O\n0.822855 0.491995 0.900266 O\n0.177146 0.508005 0.400266 O\n0.289492 0.227230 0.129281 O\n-0.025596 0.789090 0.905167 O\n0.754505 0.454785 0.636799 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.014517468089157,
"density_atomic": 0.0904177886683725,
"volume": 442.3908236321612,
"volume_molar": 6.660349527113023,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47031563,
"spacegroup": 33
},
{
"id": "jvasp-873",
"created_at": "2022-09-04T14:38:29.378197Z",
"updated_at": "2022-09-04T14:38:29.378222Z",
"structure_string": "Er2\n1.0\n1.768811 -3.063672 0.000000\n1.768811 3.063672 0.000000\n0.000000 0.000000 5.508748\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.303834785398362,
"density_atomic": 0.03349834849234765,
"volume": 59.70443589052992,
"volume_molar": 17.977425846458356,
"formula_full": "Er2",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy_above_hull": 0.0036100000000001,
"spacegroup": 194
},
{
"id": "jvasp-8729",
"created_at": "2022-09-04T14:37:05.119253Z",
"updated_at": "2022-09-04T14:37:05.119266Z",
"structure_string": "Sc1 Ru1\n1.0\n3.200884 -0.000000 -0.000000\n-0.000000 3.200884 -0.000000\n0.000000 -0.000000 3.200884\nSc Ru\n1 1\ndirect\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ru"
],
"chemical_system": "Ru-Sc",
"density": 7.393825862253365,
"density_atomic": 0.06098460129844023,
"volume": 32.795163982668406,
"volume_molar": 9.874854687545568,
"formula_full": "Sc1 Ru1",
"formula_reduced": "ScRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.0645528750000004,
"spacegroup": 221
},
{
"id": "jvasp-87286",
"created_at": "2022-09-04T14:36:20.271177Z",
"updated_at": "2022-09-04T14:36:20.271192Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.361801 0.000000 -0.892206\n0.000000 7.898165 0.000000\n0.043184 0.000000 6.792202\nBa H O\n8 16 16\ndirect\n0.895134 0.144799 0.251644 Ba\n0.395134 0.355201 0.751645 Ba\n0.104865 0.855200 0.748355 Ba\n0.604865 0.644799 0.248355 Ba\n0.317925 0.050262 0.281608 Ba\n0.817925 0.449738 0.781608 Ba\n0.682074 0.949737 0.718391 Ba\n0.182074 0.550262 0.218391 Ba\n0.092656 0.238532 0.555485 H\n0.592656 0.261468 0.055485 H\n0.907343 0.761467 0.444514 H\n0.407343 0.738532 0.944514 H\n0.120476 0.274128 0.936538 H\n0.379523 0.774127 0.563461 H\n0.879523 0.725872 0.063461 H\n0.620476 0.225872 0.436538 H\n0.977026 0.148812 0.780831 H\n0.522973 0.648811 0.719168 H\n0.022974 0.851188 0.219168 H\n0.882459 0.539986 0.313275 H\n0.382459 0.960014 0.813275 H\n0.117540 0.460014 0.686724 H\n0.617540 0.039986 0.186724 H\n0.477026 0.351188 0.280831 H\n0.841096 0.702166 0.525720 O\n0.341097 0.797833 0.025721 O\n0.605576 0.339923 0.490605 O\n0.105576 0.160077 -0.009395 O\n0.394424 0.660076 0.509395 O\n0.894424 0.839923 0.009394 O\n0.417276 0.361556 0.152360 O\n0.880615 0.494090 0.177807 O\n0.582723 0.638444 0.847639 O\n0.082724 0.861555 0.347640 O\n0.380615 0.005910 0.677808 O\n0.119384 0.505909 0.822192 O\n0.619384 0.994090 0.322192 O\n0.658903 0.202167 0.974279 O\n0.917276 0.138444 0.652359 O\n0.158903 0.297833 0.474279 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.5294225163947095,
"density_atomic": 0.07959773700324589,
"volume": 502.52684945514034,
"volume_molar": 7.565718557745461,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6921165940000005,
"spacegroup": 14
},
{
"id": "jvasp-8728",
"created_at": "2022-09-04T14:36:38.833571Z",
"updated_at": "2022-09-04T14:36:38.833595Z",
"structure_string": "Ti1 Sn1 Pt1\n1.0\n3.810505 0.000000 2.199996\n1.270168 3.592580 2.199996\n0.000000 0.000000 4.399993\nTi Sn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"Pt"
],
"chemical_system": "Pt-Sn-Ti",
"density": 9.97033629313319,
"density_atomic": 0.04980584188165232,
"volume": 60.23389800595164,
"volume_molar": 12.091233743844137,
"formula_full": "Ti1 Sn1 Pt1",
"formula_reduced": "TiSnPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7606871444444447,
"spacegroup": 216
},
{
"id": "jvasp-8727",
"created_at": "2022-09-04T14:36:38.657012Z",
"updated_at": "2022-09-04T14:36:38.657036Z",
"structure_string": "Ta1 Pd3\n1.0\n3.595766 -0.000000 -1.572635\n-0.687805 3.529369 -1.572639\n-0.002084 -0.002536 4.892340\nTa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 -0.000001 Pd\n0.250000 0.750000 0.499999 Pd\n0.750001 0.249999 0.499999 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 13.384278405807127,
"density_atomic": 0.06445480911548476,
"volume": 62.05898450235316,
"volume_molar": 9.343198502395731,
"formula_full": "Ta1 Pd3",
"formula_reduced": "TaPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.803084075,
"spacegroup": 139
}
]
}