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_molar&page=78",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=76",
"results": [
{
"id": "jvasp-114565",
"created_at": "2022-09-04T14:38:41.973863Z",
"updated_at": "2022-09-04T14:38:41.973889Z",
"structure_string": "Ba1 Cl2\n1.0\n5.484322 0.000000 -0.000000\n-2.742161 4.749562 0.000000\n-0.000000 -0.000000 5.299151\nBa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Cl\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 2.5050468452784656,
"density_atomic": 0.021733939458982252,
"volume": 138.03296018477465,
"volume_molar": 27.708463858406287,
"formula_full": "Ba1 Cl2",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.18937,
"spacegroup": 191
},
{
"id": "jvasp-66613",
"created_at": "2022-09-04T14:35:58.209121Z",
"updated_at": "2022-09-04T14:35:58.209148Z",
"structure_string": "Ba1 Li1 Mg1\n1.0\n-0.000000 4.101838 4.101838\n4.101838 0.000000 4.101838\n4.101838 4.101838 -0.000000\nBa Li Mg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 2.0280170653950536,
"density_atomic": 0.021734804925542684,
"volume": 138.02746379722083,
"volume_molar": 27.707360524422267,
"formula_full": "Ba1 Li1 Mg1",
"formula_reduced": "BaLiMg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1045915083333333,
"spacegroup": 216
},
{
"id": "jvasp-50415",
"created_at": "2022-09-04T14:36:06.940164Z",
"updated_at": "2022-09-04T14:36:06.940196Z",
"structure_string": "Ba3 Sr1 I8\n1.0\n0.000000 8.203170 0.000000\n4.101586 -4.101586 8.200495\n8.203170 0.000000 -0.000000\nBa Sr I\n3 1 8\ndirect\n0.250000 0.500000 0.250000 Ba\n0.500000 0.000000 0.500000 Ba\n0.750000 0.500000 0.750000 Ba\n0.000000 0.000000 0.000000 Sr\n0.877379 0.245835 0.122621 I\n0.368456 0.245835 0.122621 I\n0.631543 0.754165 0.368457 I\n0.122620 0.754165 0.368457 I\n0.877379 0.245835 0.631544 I\n0.368456 0.245835 0.631544 I\n0.122620 0.754165 0.877380 I\n0.631543 0.754165 0.877380 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.558389600501933,
"density_atomic": 0.02174591840981945,
"volume": 551.8276935400143,
"volume_molar": 27.69320038136757,
"formula_full": "Ba3 Sr1 I8",
"formula_reduced": "Ba3SrI8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-115542",
"created_at": "2022-09-04T14:38:46.163471Z",
"updated_at": "2022-09-04T14:38:46.163498Z",
"structure_string": "Ba1 H1 Br1\n1.0\n4.541789 -0.808915 0.000000\n-1.285034 5.933388 0.000000\n0.000000 0.000000 5.324508\nBa H Br\n1 1 1\ndirect\n0.390405 -0.026991 0.000000 Ba\n-0.186447 -0.180755 0.000000 H\n0.098667 0.389631 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 2.6269754594464656,
"density_atomic": 0.021746828492641156,
"volume": 137.9511500270102,
"volume_molar": 27.69204144888444,
"formula_full": "Ba1 H1 Br1",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3411200249999999,
"spacegroup": 38
},
{
"id": "jvasp-64069",
"created_at": "2022-09-04T14:36:07.374447Z",
"updated_at": "2022-09-04T14:36:07.374477Z",
"structure_string": "Ba1 Pb1 Br1\n1.0\n0.000000 4.100059 4.100059\n4.100059 -0.000000 4.100059\n4.100059 4.100059 -0.000000\nBa Pb Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"Br"
],
"chemical_system": "Ba-Br-Pb",
"density": 5.112765567821912,
"density_atomic": 0.021763109150565233,
"volume": 137.847950825633,
"volume_molar": 27.671325444984003,
"formula_full": "Ba1 Pb1 Br1",
"formula_reduced": "BaPbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0054541541666666,
"spacegroup": 216
},
{
"id": "jvasp-64693",
"created_at": "2022-09-04T14:36:05.559068Z",
"updated_at": "2022-09-04T14:36:05.559088Z",
"structure_string": "Ba1 Sr1 Sc1\n1.0\n0.000000 4.099799 4.099799\n4.099799 0.000000 4.099799\n4.099799 4.099799 -0.000000\nBa Sr Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Sc"
],
"chemical_system": "Ba-Sc-Sr",
"density": 3.2519134365362095,
"density_atomic": 0.02176724991495165,
"volume": 137.82172813384835,
"volume_molar": 27.66606155361623,
"formula_full": "Ba1 Sr1 Sc1",
"formula_reduced": "BaSrSc",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8206525099999997,
"spacegroup": 216
},
{
"id": "jvasp-118566",
"created_at": "2022-09-04T14:38:45.529925Z",
"updated_at": "2022-09-04T14:38:45.529956Z",
"structure_string": "Rb1 I1 N1\n1.0\n5.893023 0.000000 -0.000000\n-2.946511 5.103507 0.000000\n-0.000000 0.000000 4.581868\nRb I N\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.000000 I\n0.333333 0.666666 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"I",
"N"
],
"chemical_system": "I-N-Rb",
"density": 2.7279458972607142,
"density_atomic": 0.02177067178719699,
"volume": 137.80006558016532,
"volume_molar": 27.661713055366224,
"formula_full": "Rb1 I1 N1",
"formula_reduced": "RbIN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4238931749999997,
"spacegroup": 187
},
{
"id": "jvasp-39405",
"created_at": "2022-09-04T14:38:01.241682Z",
"updated_at": "2022-09-04T14:38:01.241707Z",
"structure_string": "K3 Mo1\n1.0\n-3.179039 3.179039 4.544896\n3.179039 -3.179039 4.544896\n3.179039 3.179039 -4.544896\nK Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500001 0.500001 0.000000 K\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Mo"
],
"chemical_system": "K-Mo",
"density": 1.927221941837612,
"density_atomic": 0.021771298813688413,
"volume": 183.72812914060293,
"volume_molar": 27.660916381404217,
"formula_full": "K3 Mo1",
"formula_reduced": "K3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 1.089287475,
"spacegroup": 225
},
{
"id": "jvasp-50812",
"created_at": "2022-09-04T14:35:52.875605Z",
"updated_at": "2022-09-04T14:35:52.875633Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n4.780621 -0.003344 0.003965\n0.005847 7.155185 -1.683560\n-0.007763 -2.347900 8.608923\nBa Ca I\n1 1 4\ndirect\n0.505635 0.494946 -0.000452 Ba\n0.005673 -0.005361 0.499684 Ca\n0.005584 0.513228 0.279772 I\n0.505687 0.023577 0.273648 I\n0.005697 0.476121 0.719185 I\n0.505650 0.966068 0.725912 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.127653108706391,
"density_atomic": 0.021772097338709294,
"volume": 275.5820859450418,
"volume_molar": 27.659901874924323,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0045049999999999,
"spacegroup": 10
},
{
"id": "jvasp-50378",
"created_at": "2022-09-04T14:37:06.019654Z",
"updated_at": "2022-09-04T14:37:06.019681Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n7.560840 0.000000 0.000000\n0.000000 7.560840 0.000000\n0.000000 0.000000 14.456775\nSr Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333494 Sr\n0.000000 0.000000 0.666507 Sr\n0.500000 0.500000 0.166507 Sr\n0.500000 0.500000 0.833494 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.793104 0.206896 0.500000 I\n0.706896 0.706896 0.000000 I\n0.695821 0.695821 0.660215 I\n0.695821 0.695821 0.339786 I\n0.304179 0.304179 0.660215 I\n0.206896 0.793104 0.500000 I\n0.293104 0.293104 0.000000 I\n0.804179 0.195821 0.160215 I\n0.195821 0.804179 0.839786 I\n0.195821 0.804179 0.160215 I\n0.304179 0.304179 0.339786 I\n0.804179 0.195821 0.839786 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.9250816229590497,
"density_atomic": 0.02178015608263528,
"volume": 826.4403584486204,
"volume_molar": 27.64966760179137,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.77777777782018e-05,
"spacegroup": 136
},
{
"id": "jvasp-69225",
"created_at": "2022-09-04T14:36:14.771199Z",
"updated_at": "2022-09-04T14:36:14.771224Z",
"structure_string": "Ba1 Sr2 Bi1\n1.0\n4.328921 0.000000 0.000000\n0.000000 4.328921 -0.000000\n-0.000000 -0.000000 9.800223\nBa Sr Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.676394 Sr\n0.000000 0.000000 0.323606 Sr\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Bi"
],
"chemical_system": "Ba-Bi-Sr",
"density": 4.7157155809199685,
"density_atomic": 0.021780342896725556,
"volume": 183.65183775877824,
"volume_molar": 27.649430445401137,
"formula_full": "Ba1 Sr2 Bi1",
"formula_reduced": "BaSr2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-64571",
"created_at": "2022-09-04T14:36:15.545250Z",
"updated_at": "2022-09-04T14:36:15.545274Z",
"structure_string": "Ba4 Cr1 Cl1\n1.0\n0.000000 5.164151 5.164151\n5.164151 0.000000 5.164151\n5.164151 5.164151 0.000000\nBa Cr Cl\n4 1 1\ndirect\n0.122409 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122409 0.625863 Ba\n0.625863 0.625863 0.122409 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Cl"
],
"chemical_system": "Ba-Cl-Cr",
"density": 3.838805428261666,
"density_atomic": 0.02178333934296095,
"volume": 275.43986280224914,
"volume_molar": 27.64562707850387,
"formula_full": "Ba4 Cr1 Cl1",
"formula_reduced": "Ba4CrCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7976575579166666,
"spacegroup": 216
}
]
}