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=156",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=154",
"results": [
{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.616013052296296,
"density_atomic": 0.06983364765881184,
"volume": 429.59233844652965,
"volume_molar": 8.623551771808538,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1897498099999997,
"spacegroup": 194
},
{
"id": "jvasp-23927",
"created_at": "2022-09-04T14:37:42.505522Z",
"updated_at": "2022-09-04T14:37:42.505534Z",
"structure_string": "Ga8 Bi4 O18\n1.0\n5.980379 0.000000 0.000000\n0.000000 7.963963 0.000000\n0.000000 -0.000000 8.435411\nGa Bi O\n8 4 18\ndirect\n0.500000 0.148006 0.664763 Ga\n0.500000 0.851994 0.335237 Ga\n0.500000 0.648006 0.835237 Ga\n0.500000 0.351994 0.164763 Ga\n0.257514 0.500000 0.500000 Ga\n0.742486 0.000000 0.000000 Ga\n0.742486 0.500000 0.500000 Ga\n0.257514 0.000000 0.000000 Ga\n0.000000 0.170121 0.328428 Bi\n0.000000 0.829879 0.671572 Bi\n0.000000 0.670121 0.171572 Bi\n0.000000 0.329879 0.828428 Bi\n0.000000 0.349052 0.565764 O\n0.000000 0.650947 0.434236 O\n0.000000 0.849052 0.934236 O\n0.000000 0.150948 0.065764 O\n0.500000 0.632090 0.407506 O\n0.500000 0.367909 0.592494 O\n0.241505 0.372840 0.291396 O\n0.241505 0.627159 0.708604 O\n0.241505 0.872840 0.208604 O\n0.758496 0.127160 0.791396 O\n0.758496 0.627159 0.708604 O\n0.758496 0.372840 0.291396 O\n0.241505 0.127160 0.791396 O\n0.500000 0.132090 0.092494 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.758496 0.872840 0.208604 O\n0.500000 0.867909 0.907506 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"O"
],
"chemical_system": "Bi-Ga-O",
"density": 6.950756742471642,
"density_atomic": 0.07467187656074457,
"volume": 401.7576814959967,
"volume_molar": 8.064804364600464,
"formula_full": "Ga8 Bi4 O18",
"formula_reduced": "Ga4Bi2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 1.6803246266666667,
"spacegroup": 55
},
{
"id": "jvasp-30315",
"created_at": "2022-09-04T14:37:59.911030Z",
"updated_at": "2022-09-04T14:37:59.911041Z",
"structure_string": "Mn6 P24\n1.0\n4.819766 0.000000 -0.011639\n0.000000 13.711430 0.000000\n-1.471053 0.000000 6.867963\nMn P\n6 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.130140 0.335666 0.857490 Mn\n0.000000 0.000000 0.000000 Mn\n0.130140 0.164334 0.357490 Mn\n0.869861 0.835666 0.642509 Mn\n0.869861 0.664334 0.142509 Mn\n0.489977 0.278539 0.446831 P\n0.641985 0.890990 0.868951 P\n0.737453 0.113846 0.791649 P\n0.510024 0.778539 0.053169 P\n0.788349 0.448740 0.748114 P\n0.641985 0.609010 0.368951 P\n0.630423 0.556605 0.936745 P\n0.737453 0.386154 0.291649 P\n0.788349 0.051260 0.248115 P\n0.630423 0.943395 0.436745 P\n0.369578 0.443395 0.063255 P\n0.262548 0.886154 0.208351 P\n0.358016 0.109010 0.131049 P\n0.921125 0.224892 0.616197 P\n0.489977 0.221461 0.946831 P\n0.369578 0.056605 0.563255 P\n0.358017 0.390990 0.631048 P\n0.211652 0.551260 0.251885 P\n0.262549 0.613846 0.708350 P\n0.211652 0.948740 0.751885 P\n0.078876 0.775108 0.383803 P\n0.078877 0.724892 0.883803 P\n0.510024 0.721461 0.553168 P\n0.921125 0.275108 0.116197 P\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.9276816162018835,
"density_atomic": 0.0661316403038615,
"volume": 453.6406455692929,
"volume_molar": 9.106292740251838,
"formula_full": "Mn6 P24",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.374641848275862,
"spacegroup": 14
},
{
"id": "jvasp-21175",
"created_at": "2022-09-04T14:38:00.557941Z",
"updated_at": "2022-09-04T14:38:00.557961Z",
"structure_string": "Ba6 Tb2 Ru4 O18\n1.0\n2.967793 -5.140368 -0.000000\n2.967793 5.140368 0.000000\n-0.000000 -0.000000 14.537202\nTb Ba Ru O\n2 6 4 18\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333332 0.404659 Ba\n0.000000 0.000000 0.750000 Ba\n0.333332 0.666667 0.595341 Ba\n0.333332 0.666667 0.904659 Ba\n0.666667 0.333332 0.095341 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333332 0.835185 Ru\n0.333332 0.666667 0.335185 Ru\n0.333332 0.666667 0.164815 Ru\n0.666667 0.333332 0.664815 Ru\n0.509103 0.490896 0.750000 O\n0.490896 0.509103 0.250000 O\n0.018208 0.509103 0.250000 O\n0.509103 0.018208 0.750000 O\n0.823064 0.646127 0.588861 O\n0.646127 0.823064 0.088861 O\n0.176935 0.823064 0.088861 O\n0.823064 0.176935 0.588861 O\n0.823064 0.176935 0.911139 O\n0.176935 0.353872 0.411139 O\n0.646127 0.823064 0.411139 O\n0.176935 0.353872 0.088861 O\n0.176935 0.823064 0.411139 O\n0.981791 0.490896 0.750000 O\n0.823064 0.646127 0.911139 O\n0.353872 0.176935 0.911139 O\n0.353872 0.176935 0.588861 O\n0.490896 0.981791 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Tb",
"density": 6.866401337553382,
"density_atomic": 0.06763673211706943,
"volume": 443.54597067277473,
"volume_molar": 8.903654229740939,
"formula_full": "Ba6 Tb2 Ru4 O18",
"formula_reduced": "Ba3TbRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.434556587333333,
"spacegroup": 194
},
{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 2.5558118483215737,
"density_atomic": 0.02220364687839022,
"volume": 1351.1293961893084,
"volume_molar": 27.122304696086076,
"formula_full": "Al6 Br24",
"formula_reduced": "AlBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.144219844,
"spacegroup": 226
},
{
"id": "jvasp-23918",
"created_at": "2022-09-04T14:37:43.845829Z",
"updated_at": "2022-09-04T14:37:43.845856Z",
"structure_string": "Al8 Bi4 O18\n1.0\n5.750568 0.000000 0.000000\n0.000000 7.742160 0.000000\n0.000000 -0.000000 8.228629\nAl Bi O\n8 4 18\ndirect\n0.500000 0.147963 0.838046 Al\n0.500000 0.852037 0.161954 Al\n0.500000 0.647963 0.661954 Al\n0.500000 0.352037 0.338046 Al\n0.260323 0.000000 0.500000 Al\n0.739678 0.500000 0.000000 Al\n0.739678 0.000000 0.500000 Al\n0.260323 0.500000 0.000000 Al\n0.000000 0.165681 0.167453 Bi\n0.000000 0.834319 0.832547 Bi\n0.000000 0.665681 0.332547 Bi\n0.000000 0.334319 0.667453 Bi\n0.250676 0.623982 0.792755 O\n0.250676 0.376018 0.207245 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.749324 0.623982 0.792755 O\n0.749324 0.376018 0.207245 O\n0.250676 0.123982 0.707245 O\n0.250676 0.876018 0.292755 O\n0.000000 0.855355 0.565792 O\n0.500000 0.861760 0.585566 O\n0.500000 0.638240 0.085566 O\n0.500000 0.361760 0.914434 O\n0.000000 0.144645 0.434208 O\n0.749324 0.876018 0.292755 O\n0.000000 0.644645 0.065792 O\n0.000000 0.355355 0.934208 O\n0.500000 0.138240 0.414434 O\n0.749324 0.123982 0.707245 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.072628941113425,
"density_atomic": 0.08188811747181471,
"volume": 366.3535189989656,
"volume_molar": 7.354108197777019,
"formula_full": "Al8 Bi4 O18",
"formula_reduced": "Al4Bi2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.3262087533333333,
"spacegroup": 55
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-22439",
"created_at": "2022-09-04T14:37:59.656937Z",
"updated_at": "2022-09-04T14:37:59.656963Z",
"structure_string": "Ba4 Si10 N16\n1.0\n5.831452 0.000000 0.000000\n0.000000 7.019025 0.000000\n0.000000 0.000000 9.463898\nBa Si N\n4 10 16\ndirect\n0.500000 0.121599 0.132275 Ba\n0.000000 0.878402 0.632275 Ba\n0.500000 0.145553 0.499610 Ba\n0.000000 0.854448 -0.000390 Ba\n0.250944 0.663597 0.320856 Si\n0.249056 0.336404 0.820856 Si\n0.749056 0.663597 0.320856 Si\n0.000000 0.052316 0.322473 Si\n0.750944 0.336404 0.820856 Si\n0.000000 0.419330 0.539416 Si\n0.500000 0.580671 0.039416 Si\n0.000000 0.399555 0.103477 Si\n0.500000 0.600446 0.603477 Si\n0.500000 0.947685 0.822473 Si\n0.253245 0.553722 0.493232 N\n0.238405 0.905144 0.330370 N\n0.261595 0.094857 0.830371 N\n0.761594 0.905144 0.330370 N\n0.738405 0.094857 0.830371 N\n0.246755 0.446278 0.993232 N\n0.753245 0.446278 0.993232 N\n0.500000 0.580564 0.229574 N\n0.000000 0.576180 0.235412 N\n0.500000 0.423821 0.735413 N\n0.000000 0.175222 0.164723 N\n0.500000 0.824779 0.664724 N\n0.000000 0.419437 0.729575 N\n0.000000 0.198035 0.471165 N\n0.746755 0.553722 0.493232 N\n0.500000 0.801965 0.971165 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 4.519365677491622,
"density_atomic": 0.07744577129802019,
"volume": 387.367825217423,
"volume_molar": 7.775945231181329,
"formula_full": "Ba4 Si10 N16",
"formula_reduced": "Ba2Si5N8",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.586508729333333,
"spacegroup": 31
},
{
"id": "jvasp-23779",
"created_at": "2022-09-04T14:37:43.585780Z",
"updated_at": "2022-09-04T14:37:43.585802Z",
"structure_string": "Ba6 In2 Ru4 O18\n1.0\n2.932141 -5.078618 0.000000\n2.932141 5.078618 -0.000000\n-0.000000 -0.000000 14.431373\nBa In Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.588361 Ba\n0.666667 0.333333 0.088361 Ba\n0.666667 0.333333 0.411639 Ba\n0.333333 0.666667 0.911639 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.162657 Ru\n0.666667 0.333333 0.662657 Ru\n0.666667 0.333333 0.837342 Ru\n0.333333 0.666667 0.337343 Ru\n0.025111 0.512556 0.250000 O\n0.974888 0.487444 0.750000 O\n0.512556 0.487444 0.750000 O\n0.487444 0.974888 0.250000 O\n0.173445 0.346890 0.414585 O\n0.826555 0.173444 0.914585 O\n0.346890 0.173445 0.914585 O\n0.653110 0.826555 0.414585 O\n0.653110 0.826555 0.085415 O\n0.826555 0.653110 0.585415 O\n0.826555 0.173444 0.585415 O\n0.826555 0.653110 0.914585 O\n0.346890 0.173445 0.585415 O\n0.487444 0.512556 0.250000 O\n0.173445 0.346890 0.085415 O\n0.173444 0.826555 0.085415 O\n0.173444 0.826555 0.414585 O\n0.512556 0.025111 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"In",
"Ru",
"O"
],
"chemical_system": "Ba-In-O-Ru",
"density": 6.745160025620372,
"density_atomic": 0.06979964421758185,
"volume": 429.80161770571453,
"volume_molar": 8.627752802331738,
"formula_full": "Ba6 In2 Ru4 O18",
"formula_reduced": "Ba3InRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.301096692,
"spacegroup": 194
},
{
"id": "jvasp-23225",
"created_at": "2022-09-04T14:37:41.387776Z",
"updated_at": "2022-09-04T14:37:41.387800Z",
"structure_string": "Y6 Mn6 O18\n1.0\n2.934808 -5.083236 -0.000000\n2.934808 5.083236 -0.000000\n0.000000 -0.000000 11.926896\nY Mn O\n6 6 18\ndirect\n0.666668 0.333333 0.231203 Y\n0.333333 0.666668 0.731203 Y\n0.666668 0.333333 0.731203 Y\n0.333333 0.666668 0.231203 Y\n0.000000 0.000000 0.782938 Y\n0.000000 0.000000 0.282938 Y\n0.336536 -0.000000 0.001411 Mn\n0.336536 0.336536 0.501411 Mn\n-0.000000 0.663465 0.501411 Mn\n0.663465 0.663465 0.001411 Mn\n0.663465 -0.000000 0.501411 Mn\n-0.000000 0.336536 0.001411 Mn\n-0.000000 0.366301 0.841896 O\n-0.000000 0.299468 0.161715 O\n-0.000000 0.700533 0.661715 O\n0.299468 0.299468 0.661715 O\n0.299468 -0.000000 0.161715 O\n0.633699 -0.000000 0.341896 O\n0.633699 0.633699 0.841896 O\n-0.000000 0.633699 0.341896 O\n0.666668 0.333333 0.515997 O\n0.366301 -0.000000 0.841896 O\n0.000000 0.000000 0.482600 O\n0.000000 0.000000 0.982600 O\n0.333333 0.666668 0.015997 O\n0.700533 0.700533 0.161715 O\n0.333333 0.666668 0.515997 O\n0.666668 0.333333 0.015997 O\n0.366301 0.366301 0.341896 O\n0.700533 -0.000000 0.661715 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.371144803141388,
"density_atomic": 0.08430316103991133,
"volume": 355.8585423125144,
"volume_molar": 7.143434108181259,
"formula_full": "Y6 Mn6 O18",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.550442638275862,
"spacegroup": 185
},
{
"id": "jvasp-27242",
"created_at": "2022-09-04T14:37:59.056578Z",
"updated_at": "2022-09-04T14:37:59.056611Z",
"structure_string": "Ba6 Sr2 Ta4 O18\n1.0\n3.068102 -5.314109 -0.000000\n3.068102 5.314109 0.000000\n-0.000000 0.000000 15.438739\nBa Sr Ta O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.116959 Ba\n0.666667 0.333333 0.616959 Ba\n0.666667 0.333333 0.883041 Ba\n0.333333 0.666667 0.383041 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.653951 Ta\n0.666667 0.333333 0.153950 Ta\n0.666667 0.333333 0.346050 Ta\n0.333333 0.666667 0.846050 Ta\n0.114880 0.759531 0.902803 O\n0.885120 0.240468 0.402803 O\n0.759531 0.644650 0.402803 O\n0.644650 0.885120 0.902803 O\n0.644650 0.885120 0.597197 O\n0.759531 0.644650 0.097197 O\n0.885120 0.240468 0.097197 O\n0.114880 0.759531 0.597197 O\n0.525050 0.569580 0.750000 O\n0.355350 0.114880 0.097197 O\n0.044531 0.474950 0.750000 O\n0.569581 0.044530 0.250000 O\n0.474950 0.430419 0.250000 O\n0.240469 0.355349 0.902803 O\n0.430419 0.955469 0.750000 O\n0.955469 0.525049 0.250000 O\n0.240469 0.355349 0.597197 O\n0.355350 0.114880 0.402803 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sr-Ta",
"density": 6.633081956751068,
"density_atomic": 0.05959079533509183,
"volume": 503.4334553063701,
"volume_molar": 10.105823770493766,
"formula_full": "Ba6 Sr2 Ta4 O18",
"formula_reduced": "Ba3SrTa2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.5861149413333333,
"spacegroup": 176
},
{
"id": "jvasp-20342",
"created_at": "2022-09-04T14:37:43.529012Z",
"updated_at": "2022-09-04T14:37:43.529034Z",
"structure_string": "Ho12 S18\n1.0\n0.000000 10.131281 0.002138\n3.989965 0.000000 0.000000\n0.000000 -2.631711 -17.347403\nHo S\n12 18\ndirect\n0.549317 0.750001 0.115016 Ho\n0.811057 0.250000 0.979347 Ho\n0.188942 0.750001 0.020652 Ho\n0.124334 0.750001 0.430139 Ho\n0.170045 0.250000 0.218829 Ho\n0.829955 0.750001 0.781171 Ho\n0.875666 0.250000 0.569860 Ho\n0.187869 0.750001 0.720671 Ho\n0.513822 0.250000 0.601463 Ho\n0.486178 0.750001 0.398537 Ho\n0.450683 0.250000 0.884984 Ho\n0.812131 0.250000 0.279328 Ho\n0.993400 0.250000 0.732331 S\n0.267131 0.750001 0.873263 S\n0.732869 0.250000 0.126737 S\n0.053279 0.750001 0.575293 S\n0.946721 0.250000 0.424706 S\n0.363383 0.250000 0.718343 S\n0.636617 0.750001 0.281657 S\n0.006600 0.750001 0.267669 S\n0.320167 0.750001 0.182656 S\n0.711015 0.750001 0.630802 S\n0.047846 0.250000 0.076247 S\n0.952154 0.750001 0.923753 S\n0.679833 0.250000 0.817343 S\n0.384979 0.250000 0.033137 S\n0.632955 0.250000 0.468159 S\n0.367045 0.750001 0.531840 S\n0.288985 0.250000 0.369198 S\n0.615021 0.750001 0.966863 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Ho",
"S"
],
"chemical_system": "Ho-S",
"density": 6.053585150794258,
"density_atomic": 0.04278260686013581,
"volume": 701.2195422797752,
"volume_molar": 14.07614262423859,
"formula_full": "Ho12 S18",
"formula_reduced": "Ho2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3607422266666669,
"spacegroup": 11
}
]
}