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=-density&page=3516",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3514",
"results": [
{
"id": "jvasp-110721",
"created_at": "2022-09-04T14:38:39.440708Z",
"updated_at": "2022-09-04T14:38:39.440731Z",
"structure_string": "Rb2 In2 Br6\n1.0\n6.998293 -0.000000 4.040466\n2.332764 6.598054 4.040466\n-0.000000 -0.000000 8.080932\nRb In Br\n2 2 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 In\n0.761757 0.238242 0.238243 Br\n0.238242 0.238242 0.761758 Br\n0.238242 0.761757 0.761758 Br\n0.238242 0.761757 0.238243 Br\n0.761757 0.238242 0.761758 Br\n0.761757 0.761757 0.238244 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.9161575818276204,
"density_atomic": 0.02679973877625883,
"volume": 373.13796539161535,
"volume_molar": 22.47089350488316,
"formula_full": "Rb2 In2 Br6",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101687",
"created_at": "2022-09-04T14:36:49.057924Z",
"updated_at": "2022-09-04T14:36:49.057940Z",
"structure_string": "Ti3 Se2 S4\n1.0\n3.452714 0.000000 0.000000\n-1.726357 2.990138 0.000000\n-0.000000 -0.000000 17.652119\nTi Se S\n3 2 4\ndirect\n0.666666 0.333334 0.009709 Ti\n0.666666 0.333334 0.330035 Ti\n0.666666 0.333334 0.670768 Ti\n0.333333 0.666667 0.578322 Se\n0.333333 0.666667 0.917089 Se\n0.000000 0.000000 0.086365 S\n0.000000 0.000000 0.409738 S\n0.000000 0.000000 0.747744 S\n0.333333 0.666667 0.250231 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Se",
"S"
],
"chemical_system": "S-Se-Ti",
"density": 3.9160445606494934,
"density_atomic": 0.04938485977121381,
"volume": 182.24208880402765,
"volume_molar": 12.19430567971416,
"formula_full": "Ti3 Se2 S4",
"formula_reduced": "Ti3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.7226168592592592,
"spacegroup": 156
},
{
"id": "jvasp-48396",
"created_at": "2022-09-04T14:36:14.179936Z",
"updated_at": "2022-09-04T14:36:14.179967Z",
"structure_string": "Li5 Ti1 V3 O8\n1.0\n4.074848 -0.000959 -0.000130\n-2.035734 6.156949 0.074127\n-0.000183 -1.991987 6.118572\nLi Ti V O\n5 1 3 8\ndirect\n0.941759 0.896709 0.641720 Li\n0.810490 0.634184 0.008995 Li\n0.172283 0.357839 0.004826 Li\n0.495911 0.005061 0.003768 Li\n0.047109 0.107485 0.359686 Li\n0.277858 0.568841 0.678264 Ti\n0.710746 0.434833 0.338801 V\n0.611806 0.236883 0.674129 V\n0.379121 0.771431 0.325827 V\n0.651604 0.316472 0.005523 O\n0.880205 0.773605 0.324655 O\n0.440567 0.894343 0.664277 O\n0.784203 0.581548 0.682849 O\n0.333421 0.680039 0.997850 O\n0.209230 0.431791 0.333336 O\n0.545302 0.103860 0.336657 O\n0.108557 0.230378 0.679281 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.9159149592349736,
"density_atomic": 0.110320970084481,
"volume": 154.09581684227243,
"volume_molar": 5.45874529147849,
"formula_full": "Li5 Ti1 V3 O8",
"formula_reduced": "Li5TiV3O8",
"formula_anonymous": "AB3C5D8",
"energy_above_hull": 2.7806675843137256,
"spacegroup": 8
},
{
"id": "jvasp-55611",
"created_at": "2022-09-04T14:36:43.704761Z",
"updated_at": "2022-09-04T14:36:43.704781Z",
"structure_string": "Ba8 Cl12 O2\n1.0\n5.028559 -8.709721 0.000000\n5.028559 8.709721 -0.000000\n0.000000 -0.000000 7.532997\nBa Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.068169 Ba\n0.333333 0.666667 0.568169 Ba\n0.389824 0.194911 0.506714 Ba\n0.194911 0.805089 0.006713 Ba\n0.194911 0.389824 0.006713 Ba\n0.805089 0.610177 0.506714 Ba\n0.805089 0.194911 0.506714 Ba\n0.610177 0.805089 0.006713 Ba\n0.289603 0.144802 0.103909 Cl\n0.144802 0.855198 0.603909 Cl\n0.144802 0.289603 0.603909 Cl\n0.855198 0.710397 0.103909 Cl\n0.855198 0.144802 0.103909 Cl\n0.710397 0.855198 0.603909 Cl\n0.057187 0.528593 0.290426 Cl\n0.528593 0.057187 0.790426 Cl\n0.942813 0.471407 0.790426 Cl\n0.471407 0.942813 0.290426 Cl\n0.528593 0.471407 0.790426 Cl\n0.471407 0.528593 0.290426 Cl\n0.666667 0.333333 0.403590 O\n0.333333 0.666667 0.903590 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O",
"density": 3.9158611591345154,
"density_atomic": 0.033340882978347,
"volume": 659.8505508773641,
"volume_molar": 18.062331354304675,
"formula_full": "Ba8 Cl12 O2",
"formula_reduced": "Ba4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-110652",
"created_at": "2022-09-04T14:38:35.890766Z",
"updated_at": "2022-09-04T14:38:35.890780Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n4.617157 -0.000000 2.665717\n1.539052 4.353097 2.665717\n-0.000000 -0.000000 5.331433\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.9157043884430327,
"density_atomic": 0.027996536792874963,
"volume": 107.15611085023528,
"volume_molar": 21.510306094476007,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155266666666666,
"spacegroup": 216
},
{
"id": "jvasp-100902",
"created_at": "2022-09-04T14:37:08.290462Z",
"updated_at": "2022-09-04T14:37:08.290482Z",
"structure_string": "K2 Tl1 Au1 Cl6\n1.0\n6.460601 0.000000 3.730030\n2.153534 6.091113 3.730030\n0.000000 0.000000 7.460060\nK Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.742947 0.257052 0.257053 Cl\n0.257052 0.257052 0.742948 Cl\n0.257052 0.742947 0.742948 Cl\n0.257052 0.742947 0.257053 Cl\n0.742947 0.257052 0.742948 Cl\n0.742947 0.742947 0.257053 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Tl",
"density": 3.9156984752814146,
"density_atomic": 0.034063408503508086,
"volume": 293.5701516473353,
"volume_molar": 17.679207761547993,
"formula_full": "K2 Tl1 Au1 Cl6",
"formula_reduced": "K2TlAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99564",
"created_at": "2022-09-04T14:36:03.168704Z",
"updated_at": "2022-09-04T14:36:03.168729Z",
"structure_string": "V1 Cu1 O3\n1.0\n3.062440 -0.038854 -0.883362\n-0.438254 4.033526 -1.712336\n-0.043512 0.031695 5.584365\nV Cu O\n1 1 3\ndirect\n0.724354 0.337092 0.101007 V\n0.406396 0.009840 0.464530 Cu\n0.857774 0.215586 0.367918 O\n0.580772 -0.007402 0.812876 O\n0.239307 0.559186 0.131571 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 3.9156834550480006,
"density_atomic": 0.07256268381171761,
"volume": 68.90594086863952,
"volume_molar": 8.299225502223676,
"formula_full": "V1 Cu1 O3",
"formula_reduced": "VCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.01110103,
"spacegroup": 8
},
{
"id": "jvasp-90042",
"created_at": "2022-09-04T14:38:06.988530Z",
"updated_at": "2022-09-04T14:38:06.988552Z",
"structure_string": "Sn1 Br6 N2\n1.0\n-5.101497 -5.101497 0.000000\n-5.101497 -0.000000 -5.101497\n0.000000 -5.101497 -5.101497\nSn Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.743034 0.256967 0.256967 Br\n0.743034 0.256967 0.743034 Br\n0.743034 0.743034 0.256967 Br\n0.256967 0.743034 0.743034 Br\n0.256967 0.743034 0.256967 Br\n0.256967 0.256967 0.743034 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sn",
"Br",
"N"
],
"chemical_system": "Br-N-Sn",
"density": 3.9156401822201548,
"density_atomic": 0.03389374884554607,
"volume": 265.535690401585,
"volume_molar": 17.76770338224584,
"formula_full": "Sn1 Br6 N2",
"formula_reduced": "Sn(Br3N)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.448716981111111,
"spacegroup": 225
},
{
"id": "jvasp-8745",
"created_at": "2022-09-04T14:37:02.633602Z",
"updated_at": "2022-09-04T14:37:02.633626Z",
"structure_string": "Mg6 In3\n1.0\n4.136462 -7.164562 -0.000000\n4.136462 7.164562 0.000000\n-0.000000 -0.000000 3.507922\nMg In\n6 3\ndirect\n0.289667 0.289667 0.000000 Mg\n0.710332 -0.000000 0.000000 Mg\n-0.000000 0.710332 0.000000 Mg\n0.629154 0.629154 0.500000 Mg\n0.370846 -0.000000 0.500000 Mg\n-0.000000 0.370846 0.500000 Mg\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 3.9155990103828717,
"density_atomic": 0.04328564580437477,
"volume": 207.9211210264626,
"volume_molar": 13.912558419981703,
"formula_full": "Mg6 In3",
"formula_reduced": "Mg2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1392733333333333,
"spacegroup": 189
},
{
"id": "jvasp-49997",
"created_at": "2022-09-04T14:38:06.378863Z",
"updated_at": "2022-09-04T14:38:06.378881Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.896423 -0.000028 0.000048\n-1.448235 2.508417 -0.000096\n-0.000034 0.000060 10.134218\nLi Ti O\n2 2 4\ndirect\n0.333234 0.666720 0.240230 Li\n0.666765 0.333485 0.740230 Li\n0.333403 0.666648 0.499761 Ti\n0.666597 0.333244 0.999762 Ti\n0.333277 0.666590 0.881990 O\n0.999923 0.999915 0.119078 O\n0.000075 0.999990 0.619078 O\n0.666722 0.333312 0.381990 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.9154645718155057,
"density_atomic": 0.10865268066748077,
"volume": 73.62910837407772,
"volume_molar": 5.542560683274885,
"formula_full": "Li2 Ti2 O4",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6306238333333334,
"spacegroup": 186
},
{
"id": "jvasp-108892",
"created_at": "2022-09-04T14:38:02.287841Z",
"updated_at": "2022-09-04T14:38:02.287872Z",
"structure_string": "Sr2 I4\n1.0\n7.669813 0.000000 0.000000\n0.000000 7.669813 0.000000\n-0.000000 -0.000000 4.923060\nSr I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.300969 0.300969 -0.000000 I\n0.699031 0.699031 -0.000000 I\n0.199031 0.800969 0.500000 I\n0.800969 0.199031 0.500000 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"I"
],
"chemical_system": "I-Sr",
"density": 3.915387439366081,
"density_atomic": 0.020717939988871687,
"volume": 289.60408241469975,
"volume_molar": 29.067275816199377,
"formula_full": "Sr2 I4",
"formula_reduced": "SrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0052933333333333,
"spacegroup": 136
},
{
"id": "jvasp-66176",
"created_at": "2022-09-04T14:36:06.770961Z",
"updated_at": "2022-09-04T14:36:06.770990Z",
"structure_string": "Ba1 Sr1 Mn1\n1.0\n0.000000 3.900738 3.900738\n3.900738 -0.000000 3.900738\n3.900738 3.900738 0.000000\nBa Sr Mn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mn"
],
"chemical_system": "Ba-Mn-Sr",
"density": 3.9152405679089686,
"density_atomic": 0.025272657727058886,
"volume": 118.7053626254735,
"volume_molar": 23.828680089914823,
"formula_full": "Ba1 Sr1 Mn1",
"formula_reduced": "BaSrMn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3510931737931031,
"spacegroup": 216
}
]
}