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=-formula_reduced&page=4462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4460",
"results": [
{
"id": "jvasp-11145",
"created_at": "2022-09-04T14:37:03.731358Z",
"updated_at": "2022-09-04T14:37:03.731379Z",
"structure_string": "Ba2 Mg1 U1 O6\n1.0\n5.167894 0.000000 2.983684\n1.722631 4.872336 2.983684\n0.000000 0.000000 5.967369\nBa Mg U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.499999 U\n0.251529 0.748471 0.748470 O\n0.251529 0.748471 0.251529 O\n0.748470 0.251530 0.748470 O\n0.251529 0.251530 0.748470 O\n0.748470 0.251530 0.251529 O\n0.748469 0.748471 0.251529 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"U",
"O"
],
"chemical_system": "Ba-Mg-O-U",
"density": 6.995331849468752,
"density_atomic": 0.06655279192460568,
"volume": 150.25665657014807,
"volume_molar": 9.048667359924105,
"formula_full": "Ba2 Mg1 U1 O6",
"formula_reduced": "Ba2MgUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.955150799,
"spacegroup": 225
},
{
"id": "jvasp-109020",
"created_at": "2022-09-04T14:37:47.395590Z",
"updated_at": "2022-09-04T14:37:47.395625Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n5.238969 -0.000000 3.024720\n1.746323 4.939347 3.024720\n-0.000000 -0.000000 6.049440\nBa Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 5.339271278010815,
"density_atomic": 0.025552267872672653,
"volume": 156.54187800206472,
"volume_molar": 23.567930604079535,
"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69040",
"created_at": "2022-09-04T14:36:18.577842Z",
"updated_at": "2022-09-04T14:36:18.577864Z",
"structure_string": "Ba2 Mg1 Te1\n1.0\n0.000000 4.252888 4.252888\n4.252888 0.000000 4.252888\n4.252888 4.252888 -0.000000\nBa Mg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Te"
],
"chemical_system": "Ba-Mg-Te",
"density": 4.604117242731322,
"density_atomic": 0.02600028799847415,
"volume": 153.84444973204694,
"volume_molar": 23.161823285778276,
"formula_full": "Ba2 Mg1 Te1",
"formula_reduced": "Ba2MgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69272",
"created_at": "2022-09-04T14:35:41.598843Z",
"updated_at": "2022-09-04T14:35:41.598866Z",
"structure_string": "Ba2 Mg1 Sn1\n1.0\n0.000000 4.254230 4.254230\n4.254230 0.000000 4.254230\n4.254230 4.254230 0.000000\nBa Mg Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 4.503896966519163,
"density_atomic": 0.025975690329221056,
"volume": 153.9901326703239,
"volume_molar": 23.18375636479413,
"formula_full": "Ba2 Mg1 Sn1",
"formula_reduced": "Ba2MgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45373",
"created_at": "2022-09-04T14:37:14.219996Z",
"updated_at": "2022-09-04T14:37:14.220018Z",
"structure_string": "Ba4 Mg2 Si4 O14\n1.0\n8.271139 0.000000 0.000000\n0.000000 8.271139 0.000000\n0.000000 -0.000000 5.463503\nBa Mg Si O\n4 2 4 14\ndirect\n0.664424 0.164424 0.509623 Ba\n0.835576 0.664424 0.490377 Ba\n0.164424 0.335576 0.490377 Ba\n0.335576 0.835576 0.509623 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.862643 0.362642 0.955492 Si\n0.137358 0.637358 0.955492 Si\n0.637358 0.862643 0.044507 Si\n0.362642 0.137358 0.044507 Si\n0.000000 0.500000 0.860429 O\n0.500000 0.000000 0.139571 O\n0.640225 0.859775 0.747484 O\n0.859775 0.359775 0.252516 O\n0.077531 0.806304 0.822182 O\n0.193697 0.077531 0.177817 O\n0.306303 0.577531 0.822182 O\n0.922469 0.193697 0.822182 O\n0.577531 0.693697 0.177817 O\n0.422469 0.306303 0.177817 O\n0.140225 0.640225 0.252516 O\n0.693697 0.422469 0.822182 O\n0.806304 0.922469 0.177817 O\n0.359775 0.140225 0.747484 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si",
"density": 4.150602306707732,
"density_atomic": 0.06421099756445713,
"volume": 373.76774867744433,
"volume_molar": 9.378674975349472,
"formula_full": "Ba4 Mg2 Si4 O14",
"formula_reduced": "Ba2MgSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.953120224166667,
"spacegroup": 113
},
{
"id": "jvasp-69353",
"created_at": "2022-09-04T14:35:43.284201Z",
"updated_at": "2022-09-04T14:35:43.284231Z",
"structure_string": "Ba2 Mg1 Sb1\n1.0\n0.000000 4.232935 4.232935\n4.232935 0.000000 4.232935\n4.232935 4.232935 0.000000\nBa Mg Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 4.605602249309816,
"density_atomic": 0.026369700478943096,
"volume": 151.68924664859603,
"volume_molar": 22.837349877405085,
"formula_full": "Ba2 Mg1 Sb1",
"formula_reduced": "Ba2MgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1072673404166666,
"spacegroup": 225
},
{
"id": "jvasp-23797",
"created_at": "2022-09-04T14:37:35.637114Z",
"updated_at": "2022-09-04T14:37:35.637133Z",
"structure_string": "Ba2 Mg1 Re1 O6\n1.0\n4.989968 0.000000 2.880959\n1.663323 4.704587 2.880959\n0.000000 0.000000 5.761919\nBa Mg Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Re\n0.260281 0.739719 0.739719 O\n0.260281 0.739719 0.260282 O\n0.739719 0.260282 0.739719 O\n0.260281 0.260282 0.739719 O\n0.739719 0.260282 0.260281 O\n0.739718 0.739719 0.260282 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Re",
"O"
],
"chemical_system": "Ba-Mg-O-Re",
"density": 7.134444971512681,
"density_atomic": 0.0739287880251221,
"volume": 135.26530418166536,
"volume_molar": 8.145867017262054,
"formula_full": "Ba2 Mg1 Re1 O6",
"formula_reduced": "Ba2MgReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.134329999,
"spacegroup": 225
},
{
"id": "jvasp-100274",
"created_at": "2022-09-04T14:36:37.343584Z",
"updated_at": "2022-09-04T14:36:37.343604Z",
"structure_string": "Ba2 Mg1 Mo1 O6\n1.0\n4.990867 -0.000000 2.881479\n1.663623 4.705436 2.881479\n-0.000000 0.000000 5.762958\nBa Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n0.761456 0.238545 0.238545 O\n0.238544 0.761456 0.761456 O\n0.238544 0.761456 0.238545 O\n0.761456 0.238545 0.761456 O\n0.238544 0.238545 0.761456 O\n0.761455 0.761456 0.238545 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Mo",
"O"
],
"chemical_system": "Ba-Mg-Mo-O",
"density": 6.023053738290178,
"density_atomic": 0.07388881099631892,
"volume": 135.33848853648752,
"volume_molar": 8.150274282123744,
"formula_full": "Ba2 Mg1 Mo1 O6",
"formula_reduced": "Ba2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.999057789,
"spacegroup": 225
},
{
"id": "jvasp-65565",
"created_at": "2022-09-04T14:35:49.140472Z",
"updated_at": "2022-09-04T14:35:49.140498Z",
"structure_string": "Ba2 Mg1 Mn1\n1.0\n-0.000000 4.192380 4.192380\n4.192380 -0.000000 4.192380\n4.192380 4.192380 -0.000000\nBa Mg Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Mn"
],
"chemical_system": "Ba-Mg-Mn",
"density": 3.987623224032191,
"density_atomic": 0.027142389234999807,
"volume": 147.37096153797856,
"volume_molar": 22.187216857956326,
"formula_full": "Ba2 Mg1 Mn1",
"formula_reduced": "Ba2MgMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8053070578448274,
"spacegroup": 225
},
{
"id": "jvasp-80775",
"created_at": "2022-09-04T14:37:06.351377Z",
"updated_at": "2022-09-04T14:37:06.351410Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n-12.161893 0.000000 -7.021672\n-7.766608 -0.573264 -0.591185\n-6.372595 3.369602 -3.005687\nBa Mg In\n2 1 1\ndirect\n0.750832 0.000000 -0.000000 Ba\n0.249167 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 4.183762452497664,
"density_atomic": 0.024356314057137708,
"volume": 164.22846209883656,
"volume_molar": 24.725172888937973,
"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.18353,
"spacegroup": 139
},
{
"id": "jvasp-109923",
"created_at": "2022-09-04T14:38:19.501985Z",
"updated_at": "2022-09-04T14:38:19.501994Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n5.235917 -0.000000 3.022958\n1.745306 4.936470 3.022958\n-0.000000 -0.000000 6.045917\nBa Mg In\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 4.396873871898934,
"density_atomic": 0.025596969739441318,
"volume": 156.26849743220052,
"volume_molar": 23.52677219726025,
"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85665",
"created_at": "2022-09-04T14:35:45.848452Z",
"updated_at": "2022-09-04T14:35:45.848488Z",
"structure_string": "Ba2 Mg1 H6\n1.0\n5.717813 0.000016 0.000046\n-2.858894 4.951832 0.000009\n0.000035 0.000029 4.529616\nBa Mg H\n2 1 6\ndirect\n0.666667 0.333333 0.267215 Ba\n0.333335 0.666668 0.732787 Ba\n0.000000 0.000000 0.000000 Mg\n0.829307 0.658612 0.773261 H\n0.829307 0.170695 0.773260 H\n0.341389 0.170694 0.773258 H\n0.170695 0.341389 0.226741 H\n0.170695 0.829306 0.226742 H\n0.658613 0.829306 0.226744 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"H"
],
"chemical_system": "Ba-H-Mg",
"density": 3.9491211225874094,
"density_atomic": 0.0701753475204877,
"volume": 128.25016644730474,
"volume_molar": 8.581561720434426,
"formula_full": "Ba2 Mg1 H6",
"formula_reduced": "Ba2MgH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7910056655555555,
"spacegroup": 164
}
]
}