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=329",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=327",
"results": [
{
"id": "jvasp-91509",
"created_at": "2022-09-04T14:35:57.767326Z",
"updated_at": "2022-09-04T14:35:57.767347Z",
"structure_string": "V8 Cd4 O24\n1.0\n4.926935 -0.000000 0.000000\n0.000000 5.814406 0.000000\n0.000000 0.000000 14.295457\nV Cd O\n8 4 24\ndirect\n0.231645 0.186542 0.667140 V\n0.231645 0.686542 0.832860 V\n0.731644 0.313457 0.832860 V\n0.268355 0.186542 0.332860 V\n0.268355 0.686542 0.167140 V\n0.768354 0.313457 0.167140 V\n0.731644 0.813459 0.667140 V\n0.768354 0.813459 0.332860 V\n0.749999 0.783992 0.000000 Cd\n0.250000 0.716009 0.500000 Cd\n0.250000 0.216009 0.000000 Cd\n0.749999 0.283991 0.500000 Cd\n0.902240 0.149330 0.746537 O\n0.402241 0.350670 0.753463 O\n0.617090 0.617360 0.590291 O\n0.882908 0.117359 0.090291 O\n0.097759 0.850670 0.253463 O\n0.402241 0.850670 0.746537 O\n0.617090 0.117359 0.909709 O\n0.975115 0.578844 0.106190 O\n0.524884 0.578844 0.893811 O\n0.024884 0.421157 0.893811 O\n0.475115 0.921157 0.393810 O\n0.524884 0.078843 0.606190 O\n0.117091 0.382641 0.590291 O\n0.097759 0.350670 0.246537 O\n0.975115 0.078843 0.393810 O\n0.117091 0.882642 0.909709 O\n0.597758 0.649331 0.246537 O\n0.024884 0.921157 0.606190 O\n0.475115 0.421157 0.106190 O\n0.382909 0.382641 0.409709 O\n0.382909 0.882642 0.090291 O\n0.902240 0.649331 0.753463 O\n0.882908 0.617360 0.409709 O\n0.597758 0.149330 0.253463 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 5.032655445473974,
"density_atomic": 0.08790675944124768,
"volume": 409.5248218546895,
"volume_molar": 6.8506003386746235,
"formula_full": "V8 Cd4 O24",
"formula_reduced": "V2CdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.551187683333333,
"spacegroup": 60
},
{
"id": "jvasp-22777",
"created_at": "2022-09-04T14:37:51.490088Z",
"updated_at": "2022-09-04T14:37:51.490115Z",
"structure_string": "Y2 Al20 Fe4\n1.0\n6.769007 -0.005798 -0.000000\n-0.846343 6.715892 0.000000\n-0.000000 0.000000 9.008442\nY Al Fe\n2 20 4\ndirect\n0.873607 0.126393 0.250000 Y\n0.126394 0.873607 0.750000 Y\n0.227838 0.227838 0.500000 Al\n0.772163 0.772162 0.000000 Al\n0.772163 0.772162 0.500000 Al\n0.227838 0.227838 0.000000 Al\n0.373527 0.626473 0.546319 Al\n0.626473 0.373527 0.046319 Al\n0.626473 0.373527 0.453681 Al\n0.156236 0.843764 0.097206 Al\n0.583734 0.863334 0.750000 Al\n0.843764 0.156236 0.902794 Al\n0.156236 0.843764 0.402794 Al\n0.781526 0.521587 0.750000 Al\n0.218474 0.478412 0.250000 Al\n0.521588 0.781525 0.250000 Al\n0.478413 0.218474 0.750000 Al\n0.136666 0.416267 0.750000 Al\n0.863335 0.583733 0.250000 Al\n0.416267 0.136666 0.250000 Al\n0.843764 0.156236 0.597206 Al\n0.373527 0.626473 0.953681 Al\n0.500000 -0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 3.815270266115402,
"density_atomic": 0.06349534338994521,
"volume": 409.47884698135556,
"volume_molar": 9.484381749093169,
"formula_full": "Y2 Al20 Fe4",
"formula_reduced": "Y(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.4908941884615383,
"spacegroup": 63
},
{
"id": "jvasp-50344",
"created_at": "2022-09-04T14:35:51.146195Z",
"updated_at": "2022-09-04T14:35:51.146215Z",
"structure_string": "Ba8 Hf2 O12\n1.0\n5.222363 3.015133 4.332445\n-5.222363 3.015133 4.332445\n-0.000000 -6.030265 4.332445\nBa Hf O\n8 2 12\ndirect\n0.111379 0.749999 0.388620 Ba\n0.250000 0.611379 0.888620 Ba\n0.611379 0.888619 0.250000 Ba\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.388620 0.111379 0.749999 Ba\n0.749999 0.388620 0.111380 Ba\n0.888619 0.250000 0.611379 Ba\n0.499999 0.499999 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.558416 0.228876 0.426665 O\n0.926665 0.728875 0.058417 O\n0.771123 0.573334 0.441583 O\n0.573334 0.441583 0.771123 O\n0.426665 0.558416 0.228876 O\n0.058416 0.926665 0.728875 O\n0.073334 0.271124 0.941583 O\n0.441583 0.771123 0.573334 O\n0.271124 0.941583 0.073334 O\n0.728875 0.058416 0.926665 O\n0.228876 0.426665 0.558416 O\n0.941583 0.073334 0.271124 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O",
"density": 6.684056899272103,
"density_atomic": 0.053748319556546756,
"volume": 409.3151224356802,
"volume_molar": 11.204333102292274,
"formula_full": "Ba8 Hf2 O12",
"formula_reduced": "Ba4HfO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.804556170909091,
"spacegroup": 167
},
{
"id": "jvasp-99106",
"created_at": "2022-09-04T14:35:49.144511Z",
"updated_at": "2022-09-04T14:35:49.144534Z",
"structure_string": "Ba2 Nb4 Bi4 O18\n1.0\n5.702360 0.000000 -0.000000\n0.000000 5.566961 -1.208993\n0.000000 -0.109532 12.917029\nBa Nb Bi O\n2 4 4 18\ndirect\n0.466937 0.248218 0.000000 Ba\n0.966937 0.751782 0.000000 Ba\n0.476359 0.834746 0.173637 Nb\n0.976359 0.338891 0.173637 Nb\n0.476359 0.661109 0.826363 Nb\n0.976359 0.165254 0.826363 Nb\n0.052184 0.518367 0.598198 Bi\n0.552184 0.079832 0.598198 Bi\n0.052184 0.920168 0.401803 Bi\n0.552184 0.481633 0.401803 Bi\n0.701826 0.920826 0.829189 O\n0.442979 0.854592 0.321948 O\n0.262564 0.738414 0.504428 O\n0.762564 0.261586 0.495572 O\n0.262564 0.233986 0.495572 O\n0.708873 0.578491 0.150070 O\n0.208873 0.571577 0.150070 O\n0.701826 0.091638 0.170812 O\n0.708873 0.428423 0.849931 O\n0.942979 0.145408 0.678052 O\n0.201826 0.908362 0.829189 O\n0.201826 0.079174 0.170812 O\n0.955494 0.230830 0.000000 O\n0.442979 0.532645 0.678052 O\n0.208873 0.421509 0.849931 O\n0.762564 0.766014 0.504428 O\n0.942979 0.467355 0.321948 O\n0.455494 0.769170 0.000000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nb-O",
"density": 7.181813568728567,
"density_atomic": 0.06841055275126648,
"volume": 409.29357933716796,
"volume_molar": 8.802941239045188,
"formula_full": "Ba2 Nb4 Bi4 O18",
"formula_reduced": "BaNb2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.850944633571429,
"spacegroup": 36
},
{
"id": "jvasp-10569",
"created_at": "2022-09-04T14:37:18.521122Z",
"updated_at": "2022-09-04T14:37:18.521146Z",
"structure_string": "Rb4 Ge2 Se6\n1.0\n6.555267 0.000000 2.803626\n2.847623 6.834614 2.407236\n-0.025381 0.004896 9.124718\nRb Ge Se\n4 2 6\ndirect\n0.806417 0.565213 0.821956 Rb\n0.193583 0.434787 0.178045 Rb\n0.587792 0.194470 0.629948 Rb\n0.412208 0.805530 0.370053 Rb\n0.879503 0.052673 0.188324 Ge\n0.120498 0.947327 0.811677 Ge\n0.302941 0.621485 0.772634 Se\n0.697060 0.378515 0.227367 Se\n0.254739 -0.000000 0.000000 Se\n0.745261 -0.000000 0.000000 Se\n0.890192 0.806924 0.412693 Se\n0.109808 0.193076 0.587308 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Se"
],
"chemical_system": "Ge-Rb-Se",
"density": 3.898815439566348,
"density_atomic": 0.02932118853327184,
"volume": 409.2603540399856,
"volume_molar": 20.538528829301903,
"formula_full": "Rb4 Ge2 Se6",
"formula_reduced": "Rb2GeSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4207843416666668,
"spacegroup": 12
},
{
"id": "jvasp-34014",
"created_at": "2022-09-04T14:37:52.972071Z",
"updated_at": "2022-09-04T14:37:52.972085Z",
"structure_string": "Te6 Mo6 S6\n1.0\n-1.514512 3.023231 0.000000\n-0.000002 -0.000007 -13.856129\n-7.050825 -5.423468 -0.000003\nTe Mo S\n6 6 6\ndirect\n0.106058 0.114775 0.212131 Te\n0.781946 0.116173 0.563908 Te\n0.222152 0.618610 0.444290 Te\n0.222151 0.881390 0.444290 Te\n0.781947 0.383825 0.563908 Te\n0.106058 0.385225 0.212131 Te\n0.786723 0.750000 0.573409 Mo\n0.894904 0.250000 0.789815 Mo\n0.445730 0.750000 0.891445 Mo\n0.548250 0.250000 0.096516 Mo\n0.103197 0.750000 0.206385 Mo\n0.221382 0.250000 0.442798 Mo\n0.552508 0.639050 0.105024 S\n0.894083 0.860945 0.788148 S\n0.894082 0.639055 0.788148 S\n0.443156 0.138301 0.886317 S\n0.552508 0.860950 0.105024 S\n0.443156 0.361699 0.886317 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.223886719089112,
"density_atomic": 0.04399106657882502,
"volume": 409.1739846258752,
"volume_molar": 13.689462948594981,
"formula_full": "Te6 Mo6 S6",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4145878888888888,
"spacegroup": 38
},
{
"id": "jvasp-109834",
"created_at": "2022-09-04T14:38:06.988615Z",
"updated_at": "2022-09-04T14:38:06.988642Z",
"structure_string": "K2 Li1 Y1 I6\n1.0\n7.216502 -0.000000 4.166449\n2.405501 6.803783 4.166449\n-0.000000 -0.000000 8.332898\nK Li Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746251 0.253749 0.253749 I\n0.253749 0.253749 0.746251 I\n0.253749 0.746251 0.746251 I\n0.253749 0.746251 0.253749 I\n0.746251 0.253749 0.746251 I\n0.746251 0.746251 0.253749 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Y",
"I"
],
"chemical_system": "I-K-Li-Y",
"density": 3.7966960581612716,
"density_atomic": 0.024441437452721735,
"volume": 409.14123890395103,
"volume_molar": 24.63906131400381,
"formula_full": "K2 Li1 Y1 I6",
"formula_reduced": "K2LiYI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-62662",
"created_at": "2022-09-04T14:35:58.775413Z",
"updated_at": "2022-09-04T14:35:58.775444Z",
"structure_string": "Na4 B4 H32 N8\n1.0\n0.000000 7.474775 -0.063990\n6.331148 0.000000 0.000000\n0.000000 -2.726094 -8.620425\nNa B H N\n4 4 32 8\ndirect\n0.596357 0.738052 0.650425 Na\n0.403643 0.238052 0.849576 Na\n0.403643 0.261949 0.349576 Na\n0.596357 0.761949 0.150425 Na\n0.319086 0.726048 0.333078 B\n0.680913 0.226048 0.166922 B\n0.680914 0.273952 0.666923 B\n0.319087 0.773952 0.833078 B\n0.558607 0.137041 0.636058 H\n0.441394 0.637041 0.863942 H\n0.336452 0.611994 0.447115 H\n0.663547 0.111993 0.052886 H\n0.663548 0.388007 0.552886 H\n0.336453 0.888007 0.947115 H\n0.164133 0.810040 0.297572 H\n0.334218 0.617007 0.224113 H\n0.835867 0.189960 0.702429 H\n0.164133 0.689960 0.797572 H\n0.558606 0.362960 0.136058 H\n0.665782 0.117006 0.275888 H\n0.665782 0.382994 0.775888 H\n0.334218 0.882994 0.724113 H\n0.835867 0.310040 0.202428 H\n0.441394 0.862960 0.363942 H\n0.808622 0.526374 0.418439 H\n0.191378 0.026374 0.081561 H\n0.972832 0.695344 0.106828 H\n0.027168 0.195343 0.393172 H\n0.027168 0.304657 0.893173 H\n0.814774 0.539457 0.989049 H\n0.185227 0.039457 0.510952 H\n0.185226 0.460543 0.010951 H\n0.972833 0.804657 0.606828 H\n0.963549 0.821321 0.869554 H\n0.036451 0.321320 0.630447 H\n0.036451 0.178680 0.130446 H\n0.963549 0.678680 0.369554 H\n0.808622 0.973626 0.918439 H\n0.191378 0.473626 0.581562 H\n0.814773 0.960544 0.489049 H\n0.156939 0.307684 0.974097 N\n0.837175 0.821536 0.893618 N\n0.162825 0.321536 0.606383 N\n0.162825 0.178464 0.106383 N\n0.837175 0.678464 0.393618 N\n0.843061 0.692316 0.025904 N\n0.156939 0.192316 0.474096 N\n0.843061 0.807684 0.525904 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"N"
],
"chemical_system": "B-H-N-Na",
"density": 1.134655981588091,
"density_atomic": 0.1173431710418598,
"volume": 409.056612104653,
"volume_molar": 5.132076035214459,
"formula_full": "Na4 B4 H32 N8",
"formula_reduced": "NaB(H4N)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.505299840277777,
"spacegroup": 14
},
{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Yb",
"Rb",
"Zn",
"Te"
],
"chemical_system": "Rb-Te-Yb-Zn",
"density": 5.738151505640678,
"density_atomic": 0.02933788138143814,
"volume": 409.0274905669334,
"volume_molar": 20.52684269086371,
"formula_full": "Rb2 Yb2 Zn2 Te6",
"formula_reduced": "RbYbZnTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-99412",
"created_at": "2022-09-04T14:36:36.151892Z",
"updated_at": "2022-09-04T14:36:36.151916Z",
"structure_string": "K2 Rb1 Tl1 Br6\n1.0\n7.215757 -0.000000 4.166019\n2.405252 6.803081 4.166019\n-0.000000 -0.000000 8.332039\nK Rb Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766522 0.233478 0.233478 Br\n0.233478 0.233478 0.766522 Br\n0.233478 0.766522 0.766522 Br\n0.233478 0.766522 0.233478 Br\n0.766522 0.233478 0.766522 Br\n0.766522 0.766522 0.233478 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-K-Rb-Tl",
"density": 3.4406101538660816,
"density_atomic": 0.02444900361159805,
"volume": 409.0146232076398,
"volume_molar": 24.631436338547694,
"formula_full": "K2 Rb1 Tl1 Br6",
"formula_reduced": "K2RbTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96866",
"created_at": "2022-09-04T14:36:17.867520Z",
"updated_at": "2022-09-04T14:36:17.867541Z",
"structure_string": "Tl4 P4 H8 O16\n1.0\n14.002568 0.000000 -0.574493\n0.000000 4.511307 0.000000\n-0.067145 0.000000 6.476943\nTl P H O\n4 4 8 16\ndirect\n0.625634 0.520643 0.265722 Tl\n0.874366 0.020642 0.734278 Tl\n0.374365 0.479358 0.734278 Tl\n0.125634 0.979358 0.265722 Tl\n0.875986 0.483798 0.235990 P\n0.624014 0.983798 0.764010 P\n0.124014 0.516203 0.764010 P\n0.375985 0.016202 0.235990 P\n0.187506 0.980189 0.763822 H\n0.687506 0.519812 0.763823 H\n0.812493 0.019812 0.236178 H\n0.312493 0.480188 0.236177 H\n-0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.680412 0.229305 0.662439 O\n0.819588 0.729306 0.337561 O\n0.304889 0.272820 0.162711 O\n0.195111 0.772820 0.837289 O\n0.695111 0.727181 0.837289 O\n0.804889 0.227181 0.162711 O\n0.452674 0.160320 0.386121 O\n0.547326 0.839680 0.613879 O\n0.952674 0.339680 0.386121 O\n0.423984 0.896237 0.041741 O\n0.076016 0.396236 0.958258 O\n0.576016 0.103764 0.958259 O\n0.923984 0.603764 0.041742 O\n0.180412 0.270695 0.662439 O\n0.047326 0.660321 0.613879 O\n0.319588 0.770696 0.337561 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tl",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Tl",
"density": 4.8945694546789005,
"density_atomic": 0.07824463805983793,
"volume": 408.97371108711445,
"volume_molar": 7.696553922831799,
"formula_full": "Tl4 P4 H8 O16",
"formula_reduced": "TlP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2927390125,
"spacegroup": 14
},
{
"id": "jvasp-96541",
"created_at": "2022-09-04T14:35:42.093591Z",
"updated_at": "2022-09-04T14:35:42.093614Z",
"structure_string": "Mg4 B48 C2\n1.0\n5.085742 0.000000 0.000000\n-0.000000 8.967342 0.000000\n0.000000 0.000000 8.967342\nMg B C\n4 48 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.000000 0.500000 Mg\n0.250000 0.500000 0.000000 Mg\n0.412788 0.407359 0.730867 B\n0.914839 0.248375 0.735490 B\n0.375407 0.883945 0.128257 B\n0.901676 0.579525 0.825137 B\n0.901676 0.420475 0.174863 B\n0.417158 0.694055 0.098506 B\n0.584688 0.577587 0.740946 B\n0.624592 0.871742 0.883945 B\n0.417158 0.305944 0.901493 B\n0.412788 0.592640 0.269132 B\n0.401676 0.079525 0.674862 B\n0.401676 0.920475 0.325137 B\n0.415312 0.259054 0.577587 B\n0.587212 0.269132 0.407359 B\n0.582842 0.098506 0.305944 B\n0.917158 0.194056 0.401493 B\n0.585161 0.764510 0.251625 B\n0.087212 0.230868 0.907359 B\n0.098324 0.174863 0.579525 B\n0.624592 0.128257 0.116054 B\n0.098324 0.825137 0.420475 B\n0.598323 0.674862 0.920475 B\n0.124592 0.371743 0.616054 B\n0.912788 0.092641 0.230868 B\n0.414839 0.748375 0.764510 B\n0.915312 0.240946 0.077587 B\n0.875407 0.616054 0.628257 B\n0.914839 0.751625 0.264510 B\n0.414839 0.251625 0.235490 B\n0.082842 0.401493 0.805944 B\n0.085161 0.264510 0.248375 B\n0.587212 0.730867 0.592640 B\n0.084688 0.922413 0.240946 B\n0.598323 0.325137 0.079525 B\n0.415312 0.740946 0.422413 B\n0.915312 0.759054 0.922413 B\n0.912788 0.907359 0.769132 B\n0.875407 0.383945 0.371743 B\n0.084688 0.077587 0.759054 B\n0.584688 0.422413 0.259054 B\n0.582842 0.901493 0.694055 B\n0.585161 0.235490 0.748375 B\n0.375407 0.116054 0.871742 B\n0.917158 0.805944 0.598506 B\n0.124592 0.628257 0.383945 B\n0.087212 0.769132 0.092641 B\n0.085161 0.735490 0.751625 B\n0.082842 0.598506 0.194056 B\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.5993347762295675,
"density_atomic": 0.13204196188575448,
"volume": 408.9609032522703,
"volume_molar": 4.560778008744284,
"formula_full": "Mg4 B48 C2",
"formula_reduced": "Mg2B24C",
"formula_anonymous": "AB2C24",
"energy_above_hull": 5.300892225925925,
"spacegroup": 118
}
]
}