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=3650",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3648",
"results": [
{
"id": "jvasp-117346",
"created_at": "2022-09-04T14:38:26.955336Z",
"updated_at": "2022-09-04T14:38:26.955361Z",
"structure_string": "Tb4 W4 O20\n1.0\n12.661927 0.000000 0.000000\n-0.000000 4.713662 2.370164\n-0.000000 0.018182 6.929403\nTb W O\n4 4 20\ndirect\n0.556509 0.643407 0.214014 Tb\n0.443492 0.356593 0.785985 Tb\n0.056509 0.356593 0.285986 Tb\n0.943492 0.643406 0.714014 Tb\n0.862065 0.889777 0.154916 W\n0.137935 0.110222 0.845083 W\n0.362065 0.110222 0.345083 W\n0.637935 0.889777 0.654916 W\n0.564519 0.691596 0.535326 O\n0.728097 0.783489 0.219365 O\n0.271903 0.216510 0.780634 O\n0.851142 0.223276 0.919806 O\n0.771903 0.783489 0.719365 O\n0.148858 0.776723 0.080194 O\n0.435481 0.308403 0.464673 O\n0.228097 0.216510 0.280634 O\n0.064519 0.308403 0.964673 O\n0.573276 0.010177 0.843091 O\n0.073276 0.989822 0.656909 O\n0.926724 0.010177 0.343091 O\n0.648858 0.223276 0.419806 O\n0.426724 0.989822 0.156909 O\n0.584531 0.496939 0.948246 O\n0.415469 0.503060 0.051753 O\n0.084531 0.503060 0.551753 O\n0.915469 0.496939 0.448246 O\n0.935481 0.691596 0.035326 O\n0.351142 0.776723 0.580193 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"W",
"O"
],
"chemical_system": "O-Tb-W",
"density": 6.7986815891363666,
"density_atomic": 0.06779182741425296,
"volume": 413.0291374047414,
"volume_molar": 8.88328429797405,
"formula_full": "Tb4 W4 O20",
"formula_reduced": "TbWO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1207379857142863,
"spacegroup": 14
},
{
"id": "jvasp-117345",
"created_at": "2022-09-04T14:38:26.473708Z",
"updated_at": "2022-09-04T14:38:26.473718Z",
"structure_string": "Tm4 Co4 B16\n1.0\n3.361474 -0.000000 0.000000\n0.000000 5.846258 0.000000\n0.000000 -0.000000 11.322305\nTm Co B\n4 4 16\ndirect\n0.499999 0.371632 0.149908 Tm\n0.499999 0.628369 0.850091 Tm\n0.499999 0.128368 0.649908 Tm\n0.499999 0.871632 0.350092 Tm\n0.499999 0.364048 0.409912 Co\n0.499999 0.635952 0.590087 Co\n0.499999 0.135952 0.909912 Co\n0.499999 0.864048 0.090087 Co\n-0.000000 0.784766 0.684970 B\n-0.000000 0.215235 0.315030 B\n-0.000000 0.522595 0.308468 B\n-0.000000 0.477406 0.691532 B\n-0.000000 0.977406 0.808468 B\n-0.000000 0.022594 0.191532 B\n-0.000000 0.637769 0.031984 B\n-0.000000 0.611716 0.453463 B\n-0.000000 0.862232 0.531984 B\n-0.000000 0.137769 0.468016 B\n-0.000000 0.284766 0.815030 B\n-0.000000 0.388285 0.546536 B\n-0.000000 0.888285 0.953463 B\n-0.000000 0.111716 0.046537 B\n-0.000000 0.362232 0.968016 B\n-0.000000 0.715235 0.184970 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Co",
"B"
],
"chemical_system": "B-Co-Tm",
"density": 8.093088566032884,
"density_atomic": 0.10786204706800726,
"volume": 222.50643903381462,
"volume_molar": 5.583187899449959,
"formula_full": "Tm4 Co4 B16",
"formula_reduced": "TmCoB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.061062580555556,
"spacegroup": 55
},
{
"id": "jvasp-117344",
"created_at": "2022-09-04T14:38:26.216981Z",
"updated_at": "2022-09-04T14:38:26.216998Z",
"structure_string": "K12 Sb4 S12\n1.0\n9.408350 -0.000000 0.000000\n0.000000 9.408350 0.000000\n-0.000000 -0.000000 9.408350\nK Sb S\n12 4 12\ndirect\n0.439132 0.939132 0.560868 K\n0.939132 0.560868 0.439132 K\n0.560868 0.439132 0.939132 K\n0.060868 0.060868 0.060868 K\n0.931594 0.431594 0.068406 K\n0.431594 0.068406 0.931594 K\n0.068406 0.931594 0.431594 K\n0.568406 0.568406 0.568406 K\n0.677956 0.177956 0.322044 K\n0.177956 0.322044 0.677956 K\n0.322044 0.677956 0.177956 K\n0.822044 0.822044 0.822044 K\n0.281612 0.281612 0.281612 Sb\n0.781612 0.218388 0.718388 Sb\n0.718388 0.781612 0.218388 Sb\n0.218388 0.718388 0.781612 Sb\n0.146494 0.969685 0.752368 S\n0.247632 0.646494 0.530315 S\n0.469685 0.747632 0.853506 S\n0.646494 0.530315 0.247632 S\n0.747632 0.853506 0.469685 S\n0.969685 0.752368 0.146494 S\n0.853506 0.469685 0.747632 S\n0.752368 0.146494 0.969685 S\n0.530315 0.247632 0.646494 S\n0.353506 0.030315 0.252368 S\n0.252368 0.353506 0.030315 S\n0.030315 0.252368 0.353506 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"S"
],
"chemical_system": "K-S-Sb",
"density": 2.6738519082186487,
"density_atomic": 0.033621542609785546,
"volume": 832.7993847566829,
"volume_molar": 17.91155399945051,
"formula_full": "K12 Sb4 S12",
"formula_reduced": "K3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5744371571428571,
"spacegroup": 198
},
{
"id": "jvasp-117343",
"created_at": "2022-09-04T14:38:26.945595Z",
"updated_at": "2022-09-04T14:38:26.945613Z",
"structure_string": "Zr6 Ga16 Pt7\n1.0\n7.684054 -0.000000 4.436391\n2.561351 7.244596 4.436391\n0.000000 -0.000000 8.872782\nZr Ga Pt\n6 16 7\ndirect\n0.701070 0.701071 0.298930 Zr\n0.298929 0.701071 0.298929 Zr\n0.701070 0.298930 0.298930 Zr\n0.298929 0.298930 0.701070 Zr\n0.701070 0.298930 0.701070 Zr\n0.298929 0.701071 0.701070 Zr\n0.347744 0.347745 0.347744 Ga\n0.956767 0.347745 0.347744 Ga\n0.347744 0.956768 0.347744 Ga\n0.347744 0.347745 0.956768 Ga\n0.652255 0.652256 0.652256 Ga\n0.043232 0.652256 0.652255 Ga\n0.652255 0.043232 0.652256 Ga\n0.652255 0.652256 0.043232 Ga\n0.631155 0.122949 0.122949 Ga\n0.122948 0.631156 0.122948 Ga\n0.122948 0.122949 0.631155 Ga\n0.877051 0.877052 0.877051 Ga\n0.368844 0.877052 0.877051 Ga\n0.877051 0.368845 0.877051 Ga\n0.877051 0.877052 0.368844 Ga\n0.122948 0.122949 0.122948 Ga\n-0.000000 0.500000 -0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 10.18151215927991,
"density_atomic": 0.05871291010159155,
"volume": 493.9288471619105,
"volume_molar": 10.256927734598452,
"formula_full": "Zr6 Ga16 Pt7",
"formula_reduced": "Zr6Ga16Pt7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.626539103448276,
"spacegroup": 225
},
{
"id": "jvasp-117342",
"created_at": "2022-09-04T14:38:26.368490Z",
"updated_at": "2022-09-04T14:38:26.368523Z",
"structure_string": "U6 Al8 Fe5 Si9\n1.0\n10.209228 0.012822 -4.414004\n-0.496789 3.998724 -10.367032\n0.000328 -0.012822 11.122580\nU Al Fe Si\n6 8 5 9\ndirect\n0.872715 0.872714 -0.000001 U\n0.127285 0.127285 -0.000000 U\n0.189145 0.874758 0.314386 U\n0.439628 0.125241 0.314386 U\n0.560373 0.874758 0.685614 U\n0.810856 0.125241 0.685614 U\n0.150834 0.000000 0.150834 Al\n0.263980 0.763980 0.500000 Al\n0.736020 0.236019 0.500000 Al\n0.849166 0.000000 0.849166 Al\n0.336453 0.500000 0.836453 Al\n0.617121 0.617120 -0.000000 Al\n0.382879 0.382879 -0.000000 Al\n0.663547 0.499999 0.163547 Al\n0.028388 0.713559 0.314829 Fe\n0.601270 0.286440 0.314829 Fe\n0.000000 0.500000 0.500000 Fe\n0.971612 0.286440 0.685171 Fe\n0.398731 0.713559 0.685171 Fe\n0.933711 0.588507 0.345202 Si\n0.871215 0.739493 0.131720 Si\n0.392227 0.260506 0.131720 Si\n0.607774 0.739493 0.868279 Si\n0.128786 0.260506 0.868280 Si\n0.066290 0.411492 0.654798 Si\n0.243305 0.588508 0.654798 Si\n0.756695 0.411491 0.345202 Si\n0.500000 0.000000 0.500000 Si\n",
"nsites": 28,
"nelements": 4,
"elements": [
"U",
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si-U",
"density": 7.980784462347183,
"density_atomic": 0.06184314673762152,
"volume": 452.75833260545494,
"volume_molar": 9.737765747189096,
"formula_full": "U6 Al8 Fe5 Si9",
"formula_reduced": "U6Al8Fe5Si9",
"formula_anonymous": "A5B6C8D9",
"energy_above_hull": 4.327426189285715,
"spacegroup": 71
},
{
"id": "jvasp-117340",
"created_at": "2022-09-04T14:38:26.436691Z",
"updated_at": "2022-09-04T14:38:26.436712Z",
"structure_string": "La6 Mg23 P1\n1.0\n8.898631 0.000000 5.137627\n2.966210 8.389710 5.137627\n-0.000000 -0.000000 10.275254\nLa Mg P\n6 23 1\ndirect\n0.797528 0.797528 0.202473 La\n0.202472 0.797528 0.202473 La\n0.797528 0.202472 0.202473 La\n0.202472 0.202472 0.797528 La\n0.797528 0.202472 0.797528 La\n0.202472 0.797528 0.797528 La\n0.378318 0.865046 0.378318 Mg\n0.865046 0.378318 0.378318 Mg\n0.378318 0.378318 0.378318 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.378318 0.378318 0.865046 Mg\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621682 0.621682 0.621682 Mg\n0.621682 0.621682 0.134955 Mg\n0.621682 0.134954 0.621682 Mg\n0.500000 0.500000 0.500000 Mg\n0.171552 0.171552 0.171552 Mg\n0.485343 0.171552 0.171552 Mg\n0.171552 0.485343 0.171552 Mg\n0.171552 0.171552 0.485343 Mg\n0.828448 0.828448 0.828448 Mg\n0.514657 0.828448 0.828448 Mg\n0.828448 0.514657 0.828448 Mg\n0.828448 0.828448 0.514657 Mg\n0.134954 0.621682 0.621682 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"La",
"Mg",
"P"
],
"chemical_system": "La-Mg-P",
"density": 3.0812002903482374,
"density_atomic": 0.03910736376197992,
"volume": 767.1189544401334,
"volume_molar": 15.398994411008367,
"formula_full": "La6 Mg23 P1",
"formula_reduced": "La6Mg23P",
"formula_anonymous": "AB6C23",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117339",
"created_at": "2022-09-04T14:38:26.361585Z",
"updated_at": "2022-09-04T14:38:26.361610Z",
"structure_string": "Pb4 Se2 N4 O18\n1.0\n5.550806 -0.000000 0.000000\n0.000000 7.300724 0.000000\n-0.000000 -0.000000 10.121949\nPb Se N O\n4 2 4 18\ndirect\n0.500000 0.895402 0.160284 Pb\n-0.000000 0.395402 0.839716 Pb\n0.500000 0.097911 0.528710 Pb\n-0.000000 0.597911 0.471290 Pb\n0.500000 0.639964 0.682186 Se\n-0.000000 0.139965 0.317814 Se\n0.500000 0.496899 0.271076 N\n0.000000 -0.003101 0.728925 N\n0.500000 0.262251 -0.003919 N\n-0.000000 0.762251 0.003919 N\n0.698995 0.204757 0.043323 O\n0.801302 0.078732 0.754260 O\n0.198698 0.078732 0.754260 O\n-0.000000 0.839004 0.680210 O\n0.500000 0.339004 0.319790 O\n0.801006 0.704757 0.956677 O\n0.198995 0.704757 0.956677 O\n0.301005 0.204757 0.043323 O\n0.739393 0.489987 0.650084 O\n0.500000 0.374903 0.900737 O\n0.760608 0.989986 0.349917 O\n0.239393 0.989986 0.349917 O\n0.301302 0.578732 0.245740 O\n0.260608 0.489987 0.650084 O\n-0.000000 0.260760 0.464612 O\n0.500000 0.760760 0.535388 O\n-0.000000 0.874903 0.099263 O\n0.698699 0.578732 0.245740 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pb",
"Se",
"N",
"O"
],
"chemical_system": "N-O-Pb-Se",
"density": 5.387098036084161,
"density_atomic": 0.06826088381377138,
"volume": 410.1909971806006,
"volume_molar": 8.822242583951216,
"formula_full": "Pb4 Se2 N4 O18",
"formula_reduced": "Pb2SeN2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.933826643333333,
"spacegroup": 31
},
{
"id": "jvasp-117338",
"created_at": "2022-09-04T14:38:26.338391Z",
"updated_at": "2022-09-04T14:38:26.338413Z",
"structure_string": "Pr2 Mn3 Cu9 As7\n1.0\n9.912616 -0.000000 0.000000\n-4.956308 8.584577 0.000000\n-0.000000 0.000000 4.009233\nPr Mn Cu As\n2 3 9 7\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 Pr\n0.427101 0.541247 0.500000 Mn\n0.114146 0.572900 0.500000 Mn\n0.458754 0.885854 0.500000 Mn\n0.288969 0.042219 0.500000 Cu\n0.957781 0.246750 0.500000 Cu\n0.753250 0.711031 0.500000 Cu\n0.175096 0.385056 -0.000000 Cu\n0.209960 0.824905 -0.000000 Cu\n0.713385 0.095405 -0.000000 Cu\n0.904596 0.617980 -0.000000 Cu\n0.382020 0.286616 -0.000000 Cu\n0.614944 0.790040 -0.000000 Cu\n0.035713 0.782588 0.500000 As\n0.622057 0.543892 -0.000000 As\n0.921836 0.377943 -0.000000 As\n0.456108 0.078165 -0.000000 As\n0.746874 0.964287 0.500000 As\n0.217412 0.253127 0.500000 As\n0.333333 0.666667 -0.000000 As\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Cu",
"As"
],
"chemical_system": "As-Cu-Mn-Pr",
"density": 7.510088141743642,
"density_atomic": 0.06155322545431571,
"volume": 341.16814911000927,
"volume_molar": 9.783631508424499,
"formula_full": "Pr2 Mn3 Cu9 As7",
"formula_reduced": "Pr2Mn3Cu9As7",
"formula_anonymous": "A2B3C7D9",
"energy_above_hull": 1.7088041773399012,
"spacegroup": 174
},
{
"id": "jvasp-117337",
"created_at": "2022-09-04T14:38:26.115511Z",
"updated_at": "2022-09-04T14:38:26.115540Z",
"structure_string": "Nd4 C4 O16\n1.0\n4.971678 0.000000 0.000000\n0.000000 7.420506 0.000000\n-0.000000 0.000000 7.972397\nNd C O\n4 4 16\ndirect\n0.250000 0.353654 0.326249 Nd\n0.250000 0.853654 0.173751 Nd\n0.750000 0.646347 0.673752 Nd\n0.750000 0.146347 0.826249 Nd\n0.250000 0.309300 0.692240 C\n0.250000 0.809300 0.807760 C\n0.750000 0.690701 0.307760 C\n0.750000 0.190701 0.192240 C\n0.475985 0.857650 0.876362 O\n0.024016 0.357650 0.623639 O\n0.024016 0.857650 0.876362 O\n0.475985 0.357650 0.623639 O\n0.524016 0.142351 0.123639 O\n0.975985 0.642351 0.376361 O\n0.250000 0.203764 0.818898 O\n0.750000 0.461024 0.919540 O\n0.750000 0.796237 0.181102 O\n0.750000 0.296236 0.318898 O\n0.524016 0.642351 0.376361 O\n0.750000 0.961024 0.580460 O\n0.250000 0.538977 0.080460 O\n0.250000 0.038977 0.419540 O\n0.250000 0.703764 0.681102 O\n0.975985 0.142351 0.123639 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"C",
"O"
],
"chemical_system": "C-Nd-O",
"density": 4.973935701506149,
"density_atomic": 0.08159918311850857,
"volume": 294.1205914420024,
"volume_molar": 7.3801483419924585,
"formula_full": "Nd4 C4 O16",
"formula_reduced": "NdCO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.843552583333333,
"spacegroup": 62
},
{
"id": "jvasp-117336",
"created_at": "2022-09-04T14:38:26.318855Z",
"updated_at": "2022-09-04T14:38:26.318883Z",
"structure_string": "Th2 Fe17 H3\n1.0\n6.295368 0.029263 0.709639\n0.637396 6.263086 0.709639\n0.032241 0.029263 6.335157\nTh Fe H\n2 17 3\ndirect\n0.655576 0.655575 0.655576 Th\n0.344425 0.344424 0.344425 Th\n0.093750 0.093750 0.093750 Fe\n0.906251 0.906250 0.906251 Fe\n0.661847 0.149911 0.661847 Fe\n0.149912 0.661847 0.661847 Fe\n0.661847 0.661847 0.149912 Fe\n0.338154 0.850089 0.338154 Fe\n0.850089 0.338153 0.338154 Fe\n0.338153 0.338153 0.850089 Fe\n0.280042 0.719959 0.000000 Fe\n0.719959 -0.000001 0.280042 Fe\n0.000000 0.280041 0.719959 Fe\n0.280041 -0.000001 0.719959 Fe\n0.000000 0.719959 0.280041 Fe\n0.719959 0.280041 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 -0.000001 0.500000 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Fe",
"H"
],
"chemical_system": "Fe-H-Th",
"density": 9.430750585396591,
"density_atomic": 0.0882092263703625,
"volume": 249.40701676295168,
"volume_molar": 6.827109824900794,
"formula_full": "Th2 Fe17 H3",
"formula_reduced": "Th2Fe17H3",
"formula_anonymous": "A2B3C17",
"energy_above_hull": 4.203910213636363,
"spacegroup": 166
},
{
"id": "jvasp-117334",
"created_at": "2022-09-04T14:38:26.140225Z",
"updated_at": "2022-09-04T14:38:26.140253Z",
"structure_string": "Ga18 Rh4\n1.0\n6.465560 0.000000 0.000000\n0.000000 6.476755 0.340012\n-0.000000 -0.052518 8.917440\nGa Rh\n18 4\ndirect\n0.500000 -0.000000 0.500000 Ga\n0.604853 0.202756 0.957580 Ga\n0.104853 0.797244 0.542420 Ga\n0.395147 0.797245 0.042420 Ga\n0.895147 0.202756 0.457580 Ga\n0.197587 0.396508 0.004879 Ga\n0.697587 0.603493 0.495121 Ga\n0.802413 0.603493 0.995121 Ga\n0.284430 0.101757 0.772821 Ga\n0.302413 0.396507 0.504879 Ga\n0.715570 0.898243 0.227178 Ga\n0.215570 0.101757 0.272821 Ga\n0.990502 0.398609 0.727739 Ga\n0.490502 0.601391 0.772260 Ga\n0.009498 0.601391 0.272260 Ga\n0.509498 0.398609 0.227739 Ga\n0.000000 0.000000 0.000000 Ga\n0.784430 0.898243 0.727178 Ga\n0.128311 0.739593 0.831110 Rh\n0.871689 0.260407 0.168890 Rh\n0.371689 0.739593 0.331110 Rh\n0.628311 0.260407 0.668890 Rh\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 7.408866893087656,
"density_atomic": 0.0588958395828077,
"volume": 373.5408163944746,
"volume_molar": 10.225069890603827,
"formula_full": "Ga18 Rh4",
"formula_reduced": "Ga9Rh2",
"formula_anonymous": "A2B9",
"energy_above_hull": 0.1721515386363635,
"spacegroup": 14
},
{
"id": "jvasp-117331",
"created_at": "2022-09-04T14:38:26.135918Z",
"updated_at": "2022-09-04T14:38:26.135939Z",
"structure_string": "Lu3 Al9 Ni6\n1.0\n8.906755 -0.000000 0.000000\n-4.453377 7.713476 0.000000\n-0.000000 -0.000000 4.034384\nLu Al Ni\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666666 0.333334 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n-0.000000 0.703028 0.500000 Al\n0.703027 0.000000 0.500000 Al\n0.296972 0.296973 0.500000 Al\n0.296972 0.000000 0.500000 Al\n-0.000000 0.296973 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.703027 0.703028 0.500000 Al\n0.635157 0.817578 -0.000000 Ni\n0.817577 0.182422 -0.000000 Ni\n0.817577 0.635157 -0.000000 Ni\n0.364843 0.182422 -0.000000 Ni\n0.182422 0.817578 -0.000000 Ni\n0.182422 0.364843 -0.000000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ni"
],
"chemical_system": "Al-Lu-Ni",
"density": 6.7093373253461115,
"density_atomic": 0.06494199613507037,
"volume": 277.17041469687024,
"volume_molar": 9.273106954511809,
"formula_full": "Lu3 Al9 Ni6",
"formula_reduced": "LuAl3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4525781583333337,
"spacegroup": 191
}
]
}