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=-nsites&page=116",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=114",
"results": [
{
"id": "jvasp-20823",
"created_at": "2022-09-04T14:38:34.048027Z",
"updated_at": "2022-09-04T14:38:34.048038Z",
"structure_string": "Co8 Ge12 S12\n1.0\n8.078237 0.001651 0.001651\n0.001651 8.078237 0.001651\n0.001651 0.001651 8.078237\nCo Ge S\n8 12 12\ndirect\n0.253333 0.258107 0.756359 Co\n0.745419 0.740644 0.242391 Co\n0.258107 0.756359 0.253333 Co\n0.740644 0.242391 0.745419 Co\n0.756359 0.253333 0.258107 Co\n0.754881 0.754881 0.754881 Co\n0.242391 0.745419 0.740644 Co\n0.243871 0.243871 0.243871 Co\n0.649256 0.831298 0.497355 Ge\n0.000231 0.149644 0.666862 Ge\n0.849102 0.331883 0.998518 Ge\n0.149644 0.666862 0.000231 Ge\n0.831298 0.497355 0.649256 Ge\n0.497355 0.649256 0.831298 Ge\n0.349496 0.167449 0.501398 Ge\n0.501398 0.349496 0.167449 Ge\n0.167449 0.501398 0.349496 Ge\n0.666862 0.000231 0.149644 Ge\n0.331883 0.998518 0.849102 Ge\n0.998518 0.849102 0.331883 Ge\n0.002908 0.147069 0.344967 S\n0.154001 0.498527 0.647587 S\n0.844747 0.500224 0.351167 S\n0.647587 0.154001 0.498527 S\n0.498527 0.647587 0.154001 S\n0.147069 0.344967 0.002908 S\n0.995844 0.851682 0.653783 S\n0.500224 0.351167 0.844747 S\n0.653783 0.995844 0.851682 S\n0.351167 0.844747 0.500224 S\n0.851682 0.653783 0.995844 S\n0.344967 0.002908 0.147069 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Co",
"Ge",
"S"
],
"chemical_system": "Co-Ge-S",
"density": 5.44282548482335,
"density_atomic": 0.0607016171933678,
"volume": 527.1688215169379,
"volume_molar": 9.92089014830724,
"formula_full": "Co8 Ge12 S12",
"formula_reduced": "Co2(GeS)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.07490995625,
"spacegroup": 148
},
{
"id": "jvasp-112144",
"created_at": "2022-09-04T14:38:44.652926Z",
"updated_at": "2022-09-04T14:38:44.652944Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n4.775671 0.003215 -0.116741\n-0.737323 6.051150 -0.943803\n0.068848 0.010499 8.837872\nMg H C O\n2 12 10 8\ndirect\n0.798590 0.729212 0.753872 Mg\n0.298598 0.229206 0.753864 Mg\n0.045365 0.240381 0.268672 H\n0.545361 0.740381 0.268666 H\n0.789121 0.008489 0.229520 H\n0.289120 0.508489 0.229516 H\n0.953785 0.677164 0.395640 H\n0.453781 0.177169 0.395637 H\n0.101572 0.941781 0.382548 H\n0.775228 0.453210 0.117836 H\n0.275222 0.953211 0.117834 H\n0.481260 0.249471 0.097226 H\n0.981246 0.749477 0.097231 H\n0.601576 0.441785 0.382549 H\n0.318314 0.689332 0.249261 C\n0.711779 0.274622 0.106875 C\n0.211767 0.774624 0.106876 C\n0.818317 0.189333 0.249263 C\n0.658597 0.276122 0.389991 C\n0.803937 0.305026 0.546610 C\n0.825087 0.170844 0.957809 C\n0.325057 0.670844 0.957805 C\n0.303938 0.805030 0.546610 C\n0.158599 0.776120 0.389990 C\n0.157299 0.884716 0.660161 O\n0.555839 0.769087 0.562564 O\n0.055841 0.269097 0.562563 O\n0.153878 0.578759 0.847137 O\n0.653916 0.078720 0.847145 O\n0.591098 0.675719 0.946647 O\n0.091133 0.175763 0.946650 O\n0.657289 0.384698 0.660165 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.006859420465397,
"density_atomic": 0.1252362402076651,
"volume": 255.51709271164654,
"volume_molar": 4.808624684048455,
"formula_full": "Mg2 H12 C10 O8",
"formula_reduced": "MgH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.190170815625,
"spacegroup": 1
},
{
"id": "jvasp-27230",
"created_at": "2022-09-04T14:38:34.249500Z",
"updated_at": "2022-09-04T14:38:34.249526Z",
"structure_string": "Y4 Al4 Ge4 O20\n1.0\n5.667750 0.000000 0.000000\n0.000000 7.289390 0.000000\n0.000000 -0.000000 8.401224\nY Al Ge O\n4 4 4 20\ndirect\n0.000000 0.358161 0.326422 Y\n0.000000 0.641839 0.673578 Y\n0.000000 0.858161 0.173578 Y\n0.000000 0.141839 0.826422 Y\n0.249037 0.500000 0.000000 Al\n0.750963 0.000000 0.500000 Al\n0.750963 0.500000 0.000000 Al\n0.249037 0.000000 0.500000 Al\n0.500000 0.380126 0.645121 Ge\n0.500000 0.619874 0.354878 Ge\n0.500000 0.119874 0.145122 Ge\n0.500000 0.880126 0.854878 Ge\n0.747919 0.606623 0.211762 O\n0.715706 0.500000 0.500000 O\n0.284294 0.000000 0.000000 O\n0.252081 0.606623 0.211762 O\n0.252081 0.393377 0.788238 O\n0.747919 0.106623 0.288238 O\n0.747919 0.893377 0.711761 O\n0.747919 0.393377 0.788238 O\n0.252081 0.893377 0.711761 O\n0.000000 0.161941 0.553882 O\n0.500000 0.152555 0.569687 O\n0.500000 0.847445 0.430313 O\n0.500000 0.652555 0.930313 O\n0.500000 0.347445 0.069687 O\n0.715706 0.000000 0.000000 O\n0.000000 0.838059 0.446118 O\n0.000000 0.661941 0.946117 O\n0.000000 0.338059 0.053882 O\n0.252081 0.106623 0.288238 O\n0.284294 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-O-Y",
"density": 5.1386423119375975,
"density_atomic": 0.09219461216112176,
"volume": 347.0918663237711,
"volume_molar": 6.531987736415167,
"formula_full": "Y4 Al4 Ge4 O20",
"formula_reduced": "YAlGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1666627125,
"spacegroup": 55
},
{
"id": "jvasp-20879",
"created_at": "2022-09-04T14:38:34.091320Z",
"updated_at": "2022-09-04T14:38:34.091340Z",
"structure_string": "Ag4 Sb4 F24\n1.0\n7.971226 0.000000 -2.818253\n-3.985613 6.903284 -2.818253\n-0.000000 -0.000000 8.454761\nAg Sb F\n4 4 24\ndirect\n0.000000 0.500000 0.000000 Ag\n0.500000 -0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.413504 0.676657 0.966523 F\n0.823343 0.236847 0.289867 F\n0.086496 0.053018 0.263153 F\n0.533478 0.210134 0.446982 F\n0.033477 0.586496 0.323343 F\n0.763154 0.710133 0.176658 F\n0.736847 0.913504 0.946982 F\n0.789867 0.553018 0.466523 F\n0.966523 0.413504 0.676658 F\n0.710134 0.176657 0.763154 F\n0.946982 0.736846 0.913505 F\n0.586496 0.323342 0.033478 F\n0.176658 0.763153 0.710134 F\n0.913505 0.946981 0.736847 F\n0.466523 0.789866 0.553019 F\n0.053018 0.263153 0.086496 F\n0.289866 0.823342 0.236847 F\n0.676658 0.966522 0.413505 F\n0.446982 0.533477 0.210134 F\n0.210134 0.446981 0.533478 F\n0.263153 0.086496 0.053019 F\n0.236847 0.289866 0.823343 F\n0.323343 0.033477 0.586496 F\n0.553019 0.466522 0.789867 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"F"
],
"chemical_system": "Ag-F-Sb",
"density": 4.905729285562564,
"density_atomic": 0.0687808882233502,
"volume": 465.24551843656513,
"volume_molar": 8.755543749950533,
"formula_full": "Ag4 Sb4 F24",
"formula_reduced": "AgSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 206
},
{
"id": "jvasp-20757",
"created_at": "2022-09-04T14:38:33.753192Z",
"updated_at": "2022-09-04T14:38:33.753227Z",
"structure_string": "Na2 B30\n1.0\n5.344620 -0.000000 2.349816\n2.147399 6.525366 2.368811\n-0.005933 -0.022016 7.266530\nNa B\n2 30\ndirect\n0.750000 0.912557 0.587444 Na\n0.250000 0.087443 0.412557 Na\n0.665970 0.546206 0.616917 B\n0.829092 0.453794 0.383083 B\n0.834031 0.883083 0.953794 B\n0.670908 0.116917 0.046206 B\n0.334031 0.453794 0.383083 B\n0.170908 0.546206 0.616917 B\n0.165970 0.116917 0.046206 B\n0.329093 0.883083 0.953794 B\n0.613912 0.712460 0.381153 B\n0.707525 0.287540 0.618848 B\n0.886089 0.118847 0.787541 B\n0.792475 0.881153 0.212460 B\n0.386088 0.287540 0.618847 B\n0.292476 0.712460 0.381153 B\n0.250000 0.494356 0.005645 B\n0.645665 0.750880 0.957791 B\n0.354335 0.249120 0.042209 B\n0.854336 0.542209 0.749120 B\n0.145664 0.457791 0.250880 B\n0.664786 0.286885 0.383545 B\n0.335215 0.713115 0.616455 B\n0.835215 0.116455 0.213115 B\n0.164786 0.883545 0.786885 B\n0.603042 0.547812 0.246104 B\n0.396959 0.452188 0.753896 B\n0.896959 0.253895 0.952189 B\n0.103042 0.746105 0.047811 B\n0.750001 0.505644 0.994356 B\n0.207525 0.118847 0.787540 B\n0.113912 0.881153 0.212460 B\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Na",
"B"
],
"chemical_system": "B-Na",
"density": 2.423942198555396,
"density_atomic": 0.12614157270147733,
"volume": 253.68321731432818,
"volume_molar": 4.77411263473923,
"formula_full": "Na2 B30",
"formula_reduced": "NaB15",
"formula_anonymous": "AB15",
"energy_above_hull": 5.177404859375001,
"spacegroup": 74
},
{
"id": "jvasp-112056",
"created_at": "2022-09-04T14:38:44.058877Z",
"updated_at": "2022-09-04T14:38:44.058905Z",
"structure_string": "H12 C14 S2 N4\n1.0\n5.449074 0.015182 0.030190\n0.200088 7.254472 0.112026\n-0.066141 0.113825 7.771132\nH C S N\n12 14 2 4\ndirect\n0.027897 0.883675 0.372696 H\n0.808202 0.615772 0.581624 H\n0.823142 0.641695 0.899276 H\n0.543280 0.381594 0.906953 H\n0.532446 0.362812 0.591080 H\n0.339718 0.379148 0.360236 H\n0.391187 0.461611 0.135350 H\n0.842917 0.140280 0.893096 H\n0.976902 0.970936 0.138104 H\n0.562253 0.881637 0.933074 H\n0.576559 0.860017 0.613197 H\n0.857314 0.116768 0.573471 H\n0.168929 0.488455 0.564695 C\n0.970260 0.567038 0.652774 C\n0.977825 0.580207 0.831970 C\n0.182838 0.511968 0.924809 C\n0.383379 0.435401 0.835019 C\n0.377085 0.424437 0.658826 C\n0.069336 0.532359 0.243790 C\n0.411772 0.938673 0.853765 C\n0.004315 0.080685 0.830637 C\n0.201327 0.012076 0.932362 C\n0.419426 0.926167 0.674671 C\n0.218081 0.987232 0.574502 C\n0.300635 0.018106 0.253152 C\n0.012406 0.068040 0.653216 C\n0.573726 0.124398 0.253452 S\n0.788788 0.639053 0.241490 S\n0.185977 0.459044 0.387322 N\n0.190711 0.946818 0.396622 N\n0.155903 0.001270 0.111395 N\n0.217786 0.510446 0.103982 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6242365172940965,
"density_atomic": 0.1041951501827614,
"volume": 307.11602165620036,
"volume_molar": 5.779674725202646,
"formula_full": "H12 C14 S2 N4",
"formula_reduced": "H6C7SN2",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.44937478125,
"spacegroup": 1
},
{
"id": "jvasp-33324",
"created_at": "2022-09-04T14:36:50.822596Z",
"updated_at": "2022-09-04T14:36:50.822619Z",
"structure_string": "As2 H6 C2 N2 O2 F18\n1.0\n4.978324 0.080428 -0.499917\n-1.711862 8.052392 -0.023528\n-0.029471 0.112198 8.831820\nAs H C N O F\n2 6 2 2 2 18\ndirect\n0.966113 0.750603 0.660933 As\n0.033887 0.249398 0.339066 As\n0.338142 0.738829 0.364861 H\n0.661858 0.261171 0.635138 H\n0.589968 0.883902 0.298230 H\n0.410032 0.116098 0.701769 H\n0.544675 0.547527 0.302148 H\n0.455325 0.452473 0.697851 H\n0.288424 0.773674 0.126295 C\n0.711576 0.226327 0.873705 C\n0.536561 0.232801 0.724390 N\n0.463439 0.767200 0.275609 N\n0.639218 0.654650 0.263254 O\n0.360782 0.345350 0.736745 O\n0.867942 0.113964 0.857923 F\n0.132058 0.886037 0.142076 F\n0.546638 0.181468 0.982035 F\n0.453362 0.818532 0.017964 F\n0.169423 0.263969 0.163603 F\n0.830577 0.736031 0.836397 F\n0.782096 0.362166 0.271052 F\n0.217904 0.637834 0.728948 F\n0.897467 0.232016 0.519138 F\n0.718314 0.864050 0.583642 F\n0.258833 0.438202 0.403063 F\n0.741167 0.561798 0.596936 F\n0.806071 0.061593 0.277767 F\n0.193929 0.938408 0.722232 F\n0.136720 0.624034 0.097358 F\n0.102533 0.767984 0.480861 F\n0.281686 0.135951 0.416358 F\n0.863280 0.375966 0.902641 F\n",
"nsites": 32,
"nelements": 6,
"elements": [
"As",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "As-C-F-H-N-O",
"density": 2.7199344686913665,
"density_atomic": 0.09007705429906306,
"volume": 355.2514039120044,
"volume_molar": 6.685543623580329,
"formula_full": "As2 H6 C2 N2 O2 F18",
"formula_reduced": "AsH3CNOF9",
"formula_anonymous": "ABCDE3F9",
"energy_above_hull": 1.64476694015625,
"spacegroup": 2
},
{
"id": "jvasp-103900",
"created_at": "2022-09-04T14:37:01.870945Z",
"updated_at": "2022-09-04T14:37:01.870981Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4658350509312699,
"density_atomic": 0.10754292077039213,
"volume": 297.55561566270933,
"volume_molar": 5.599755629529051,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533833152109374,
"spacegroup": 1
},
{
"id": "jvasp-103850",
"created_at": "2022-09-04T14:37:00.321586Z",
"updated_at": "2022-09-04T14:37:00.321617Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.731971 -0.083535 0.482342\n0.988187 8.655428 2.651449\n0.057139 -0.157274 10.409020\nH C S N O\n10 16 2 2 2\ndirect\n0.103126 0.356060 0.152757 H\n0.537952 0.995534 0.828921 H\n0.142489 0.227123 0.374841 H\n0.642489 0.727122 0.874841 H\n0.046928 0.372849 0.548880 H\n0.037951 0.495534 0.328921 H\n0.864648 0.825274 0.472913 H\n0.364649 0.325274 0.972913 H\n0.603126 0.856060 0.652757 H\n0.546928 0.872849 0.048880 H\n0.799257 0.191524 0.702752 C\n0.671671 0.045034 0.729769 C\n0.171671 0.545033 0.229769 C\n0.704578 0.968558 0.631754 C\n0.204578 0.468558 0.131754 C\n0.206882 0.920055 0.316105 C\n0.706882 0.420054 0.816105 C\n0.299256 0.691524 0.202752 C\n0.945883 0.260627 0.570768 C\n0.387770 0.531211 0.004285 C\n0.445884 0.760627 0.070767 C\n0.999433 0.179732 0.472708 C\n0.499434 0.679732 0.972708 C\n0.305391 0.751592 0.317960 C\n0.805393 0.251591 0.817960 C\n0.887771 0.031211 0.504285 C\n0.925231 0.137559 0.962632 S\n0.425230 0.637559 0.462633 S\n0.458006 0.429241 0.924176 N\n0.958006 0.929240 0.424176 N\n0.848922 0.528120 0.734566 O\n0.348920 0.028119 0.234567 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6020005915794957,
"density_atomic": 0.09458515568656127,
"volume": 338.3194727303978,
"volume_molar": 6.366898395723242,
"formula_full": "H10 C16 S2 N2 O2",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.503247296874999,
"spacegroup": 1
},
{
"id": "jvasp-98412",
"created_at": "2022-09-04T14:35:47.700078Z",
"updated_at": "2022-09-04T14:35:47.700113Z",
"structure_string": "Rb4 Au4 C8 S8 N8\n1.0\n6.133351 -0.000000 1.132315\n2.992248 6.348219 0.969304\n-0.005404 0.124122 17.206524\nRb Au C S N\n4 4 8 8 8\ndirect\n0.190737 0.702650 0.938953 Rb\n0.832340 0.797350 0.561046 Rb\n0.167660 0.202650 0.438954 Rb\n0.809264 0.297350 0.061046 Rb\n0.665198 0.250000 0.750000 Au\n0.334802 0.750000 0.250000 Au\n0.163276 0.250000 0.750000 Au\n0.836725 0.750000 0.250000 Au\n0.712588 0.109381 0.356195 C\n0.287413 0.890619 0.643804 C\n0.408463 0.133283 0.913900 C\n0.455646 0.366716 0.586100 C\n0.178164 0.390619 0.143805 C\n0.821837 0.609381 0.856195 C\n0.591538 0.866717 0.086100 C\n0.544355 0.633284 0.413900 C\n0.991060 0.609875 0.769708 S\n0.659786 0.167304 0.887124 S\n0.629357 0.109875 0.269708 S\n0.370644 0.890125 0.730291 S\n0.340214 0.832696 0.112876 S\n0.008941 0.390125 0.230291 S\n0.714215 0.332695 0.612876 S\n0.285786 0.667305 0.387124 S\n0.709480 0.614720 0.919366 N\n0.770097 0.888355 0.064622 N\n0.290521 0.385280 0.080634 N\n0.723073 0.611645 0.435378 N\n0.756435 0.114720 0.419366 N\n0.243566 0.885280 0.580634 N\n0.276927 0.388354 0.564622 N\n0.229904 0.111645 0.935378 N\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Rb",
"Au",
"C",
"S",
"N"
],
"chemical_system": "Au-C-N-Rb-S",
"density": 3.9535132974440406,
"density_atomic": 0.047784572439924,
"volume": 669.6722051919838,
"volume_molar": 12.602688383517906,
"formula_full": "Rb4 Au4 C8 S8 N8",
"formula_reduced": "RbAuC2(SN)2",
"formula_anonymous": "ABC2D2E2",
"energy_above_hull": 3.71588175875,
"spacegroup": 15
},
{
"id": "jvasp-87890",
"created_at": "2022-09-04T14:35:47.725416Z",
"updated_at": "2022-09-04T14:35:47.725429Z",
"structure_string": "Tm24 Sb8\n1.0\n6.063420 0.000000 -0.000000\n0.000000 12.149853 0.000000\n0.000000 -0.000000 12.149853\nTm Sb\n24 8\ndirect\n0.736367 0.925727 0.035554 Tm\n0.715172 0.857325 0.333295 Tm\n0.215172 0.833295 0.142674 Tm\n0.784828 0.333295 0.642674 Tm\n0.284828 0.357325 0.833295 Tm\n0.284828 0.142674 0.666705 Tm\n0.784828 0.166705 0.857325 Tm\n0.035709 0.896659 0.779875 Tm\n0.535709 0.220125 0.396659 Tm\n0.535709 0.279875 0.103341 Tm\n0.035709 0.603341 0.720125 Tm\n0.964291 0.103341 0.220125 Tm\n0.464291 0.779875 0.603341 Tm\n0.464291 0.720125 0.896659 Tm\n0.964291 0.396659 0.279875 Tm\n0.215172 0.666705 0.357325 Tm\n0.236367 0.964445 0.425727 Tm\n0.236367 0.535554 0.074273 Tm\n0.736367 0.574273 0.464446 Tm\n0.263633 0.074273 0.964445 Tm\n0.763633 0.035554 0.574273 Tm\n0.763633 0.464446 0.925727 Tm\n0.263633 0.425727 0.535554 Tm\n0.715172 0.642674 0.166705 Tm\n0.960950 0.791391 0.551076 Sb\n0.460950 0.448923 0.291391 Sb\n0.460950 0.051077 0.208609 Sb\n0.960950 0.708608 0.948923 Sb\n0.039050 0.208609 0.448923 Sb\n0.539050 0.551076 0.708608 Sb\n0.539050 0.948923 0.791391 Sb\n0.039050 0.291391 0.051077 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tm",
"Sb"
],
"chemical_system": "Sb-Tm",
"density": 9.328846409271849,
"density_atomic": 0.035751171668904416,
"volume": 895.0755599384424,
"volume_molar": 16.84459691495349,
"formula_full": "Tm24 Sb8",
"formula_reduced": "Tm3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2761972125,
"spacegroup": 86
},
{
"id": "jvasp-14130",
"created_at": "2022-09-04T14:35:47.756587Z",
"updated_at": "2022-09-04T14:35:47.756604Z",
"structure_string": "Na4 Sn8 Cl20\n1.0\n8.177510 0.000000 0.000000\n0.000000 8.543837 0.000000\n-0.000000 0.000000 12.075291\nNa Sn Cl\n4 8 20\ndirect\n0.000000 0.251942 0.500000 Na\n0.500000 0.248058 0.000000 Na\n0.000000 0.748058 0.500000 Na\n0.500000 0.751942 0.000000 Na\n0.466491 0.500000 0.671770 Sn\n0.533509 0.500000 0.328230 Sn\n0.465198 0.000000 0.676620 Sn\n0.033509 0.000000 0.171770 Sn\n0.534802 0.000000 0.323380 Sn\n0.034802 0.500000 0.176620 Sn\n0.966491 0.000000 0.828230 Sn\n0.965198 0.500000 0.823380 Sn\n0.170641 0.271246 0.296958 Cl\n0.317269 0.500000 0.073646 Cl\n0.817269 0.000000 0.426354 Cl\n0.329359 0.771246 0.796958 Cl\n0.682731 0.500000 0.926354 Cl\n0.670641 0.771246 0.203042 Cl\n0.829358 0.728754 0.703042 Cl\n0.670641 0.228754 0.203042 Cl\n0.329359 0.228754 0.796958 Cl\n0.500000 0.283535 0.500000 Cl\n0.170641 0.728754 0.296958 Cl\n0.336053 0.000000 0.101204 Cl\n0.836053 0.500000 0.398796 Cl\n0.000000 0.216465 0.000000 Cl\n0.182731 0.000000 0.573646 Cl\n0.000000 0.783535 0.000000 Cl\n0.500000 0.716466 0.500000 Cl\n0.163947 0.500000 0.601204 Cl\n0.829358 0.271246 0.703042 Cl\n0.663947 0.000000 0.898796 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 3.4457911925339495,
"density_atomic": 0.03792960628242833,
"volume": 843.6681298963196,
"volume_molar": 15.877150728004999,
"formula_full": "Na4 Sn8 Cl20",
"formula_reduced": "NaSn2Cl5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0982124793749999,
"spacegroup": 58
}
]
}