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=chemical_system&page=878",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=876",
"results": [
{
"id": "jvasp-66369",
"created_at": "2022-09-04T14:35:42.527081Z",
"updated_at": "2022-09-04T14:35:42.527103Z",
"structure_string": "Ba4 Nb1 Mo1\n1.0\n-0.000000 4.776903 4.776903\n4.776903 -0.000000 4.776903\n4.776903 4.776903 0.000000\nBa Nb Mo\n4 1 1\ndirect\n0.125687 0.624771 0.624771 Ba\n0.624771 0.624771 0.624771 Ba\n0.624771 0.125687 0.624771 Ba\n0.624771 0.624771 0.125687 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Mo"
],
"chemical_system": "Ba-Mo-Nb",
"density": 5.622468554349647,
"density_atomic": 0.027522126521556375,
"volume": 218.0064100534009,
"volume_molar": 21.88108813206432,
"formula_full": "Ba4 Nb1 Mo1",
"formula_reduced": "Ba4NbMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.222574863333333,
"spacegroup": 216
},
{
"id": "jvasp-59569",
"created_at": "2022-09-04T14:37:55.585111Z",
"updated_at": "2022-09-04T14:37:55.585145Z",
"structure_string": "Ba2 Nd1 Mo1 O6\n1.0\n5.265898 0.000000 3.040268\n1.755299 4.964736 3.040268\n0.000000 0.000000 6.080536\nBa Nd Mo O\n2 1 1 6\ndirect\n0.250000 0.249999 0.250000 Ba\n0.750000 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500001 0.500000 Mo\n0.270735 0.729267 0.729266 O\n0.270735 0.729267 0.270734 O\n0.729266 0.270733 0.729267 O\n0.270733 0.270733 0.729268 O\n0.729266 0.270733 0.270735 O\n0.729265 0.729267 0.270734 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-Nd-O",
"density": 6.380587900217467,
"density_atomic": 0.06290563251055643,
"volume": 158.96827678065014,
"volume_molar": 9.573293391477147,
"formula_full": "Ba2 Nd1 Mo1 O6",
"formula_reduced": "Ba2NdMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.290966034,
"spacegroup": 225
},
{
"id": "jvasp-66302",
"created_at": "2022-09-04T14:36:02.559859Z",
"updated_at": "2022-09-04T14:36:02.559873Z",
"structure_string": "Ba4 Ni1 Mo1\n1.0\n0.000000 4.856076 4.856076\n4.856076 -0.000000 4.856076\n4.856076 4.856076 -0.000000\nBa Ni Mo\n4 1 1\ndirect\n0.124174 0.625276 0.625276 Ba\n0.625276 0.625276 0.625276 Ba\n0.625276 0.124174 0.625276 Ba\n0.625276 0.625276 0.124174 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Mo"
],
"chemical_system": "Ba-Mo-Ni",
"density": 5.103865066796305,
"density_atomic": 0.026197800438714863,
"volume": 229.02686101590638,
"volume_molar": 22.987199914312413,
"formula_full": "Ba4 Ni1 Mo1",
"formula_reduced": "Ba4NiMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.345520363333333,
"spacegroup": 216
},
{
"id": "jvasp-65357",
"created_at": "2022-09-04T14:35:53.717198Z",
"updated_at": "2022-09-04T14:35:53.717228Z",
"structure_string": "Ba1 Ni1 Mo2\n1.0\n3.318310 0.000000 0.000000\n0.000000 3.339293 0.000000\n0.000000 0.000000 7.569102\nBa Ni Mo\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.851922 Mo\n0.000000 0.000000 0.148078 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Mo"
],
"chemical_system": "Ba-Mo-Ni",
"density": 7.679863202556542,
"density_atomic": 0.047691847947898616,
"volume": 83.87177624926247,
"volume_molar": 12.627191059107087,
"formula_full": "Ba1 Ni1 Mo2",
"formula_reduced": "BaNiMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3560475425,
"spacegroup": 123
},
{
"id": "jvasp-57222",
"created_at": "2022-09-04T14:37:08.807282Z",
"updated_at": "2022-09-04T14:37:08.807300Z",
"structure_string": "Ba2 Ni1 Mo1 O6\n1.0\n4.961672 -0.000005 2.864616\n1.653879 4.677918 2.864628\n-0.000016 -0.000011 5.729251\nBa Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.249999 0.250000 0.249999 Ba\n0.000005 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Mo\n0.260029 0.260031 0.739969 O\n0.739967 0.260032 0.739970 O\n0.739967 0.260031 0.260031 O\n0.739967 0.739970 0.260032 O\n0.260030 0.739969 0.260031 O\n0.260030 0.739970 0.739969 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-Ni-O",
"density": 6.559389257046494,
"density_atomic": 0.07520042578738714,
"volume": 132.97797047416762,
"volume_molar": 8.008120561745612,
"formula_full": "Ba2 Ni1 Mo1 O6",
"formula_reduced": "Ba2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.273434124,
"spacegroup": 225
},
{
"id": "jvasp-119954",
"created_at": "2022-09-04T14:38:54.365775Z",
"updated_at": "2022-09-04T14:38:54.365802Z",
"structure_string": "Ba1 Mo1 O1\n1.0\n3.086271 0.000000 0.000000\n0.000000 3.086271 0.000000\n0.000000 -0.000000 7.247120\nBa Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.330807 Ba\n0.000000 0.000000 0.748022 Mo\n0.000000 0.000000 -0.011563 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 5.996243633068672,
"density_atomic": 0.04345979626865745,
"volume": 69.02931577163316,
"volume_molar": 13.856808538108766,
"formula_full": "Ba1 Mo1 O1",
"formula_reduced": "BaMoO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3985184566666664,
"spacegroup": 99
},
{
"id": "jvasp-17473",
"created_at": "2022-09-04T14:37:36.421318Z",
"updated_at": "2022-09-04T14:37:36.421328Z",
"structure_string": "Ba1 Mo1 O3\n1.0\n4.066141 0.000000 0.000000\n0.000000 4.066141 0.000000\n-0.000000 0.000000 4.066141\nBa Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 6.947327879023389,
"density_atomic": 0.07437426743125233,
"volume": 67.22755292509923,
"volume_molar": 8.097075733305946,
"formula_full": "Ba1 Mo1 O3",
"formula_reduced": "BaMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2351104740000003,
"spacegroup": 221
},
{
"id": "jvasp-98471",
"created_at": "2022-09-04T14:35:43.185293Z",
"updated_at": "2022-09-04T14:35:43.185320Z",
"structure_string": "Ba2 Mo2 O8\n1.0\n5.626140 -0.000000 -0.000000\n0.000000 5.626140 0.000000\n-2.813070 -2.813070 6.423437\nBa Mo O\n2 2 8\ndirect\n0.125000 0.375000 0.250000 Ba\n0.875000 0.625000 0.750000 Ba\n0.625000 0.875000 0.250000 Mo\n0.375000 0.125000 0.750000 Mo\n0.781076 0.918053 0.095108 O\n0.314032 0.677055 0.095108 O\n0.418053 0.814032 0.595108 O\n0.177055 0.281076 0.595108 O\n0.218924 0.081947 0.904892 O\n0.685968 0.322945 0.904892 O\n0.581947 0.185968 0.404892 O\n0.822945 0.718924 0.404892 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 4.855497650884848,
"density_atomic": 0.05901911695556642,
"volume": 203.32395025554874,
"volume_molar": 10.20371206931794,
"formula_full": "Ba2 Mo2 O8",
"formula_reduced": "BaMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3814993116666665,
"spacegroup": 88
},
{
"id": "jvasp-56727",
"created_at": "2022-09-04T14:38:33.261243Z",
"updated_at": "2022-09-04T14:38:33.261265Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.924524 -0.032399 0.332320\n2.080247 4.463693 0.332320\n0.010071 0.006370 7.829290\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369818 0.369818 0.290115 P\n0.630182 0.630181 0.709886 P\n0.762304 0.285582 0.687424 O\n0.686189 0.686189 0.890076 O\n0.237696 0.714417 0.312576 O\n0.235386 0.235386 0.438280 O\n0.764614 0.764613 0.561720 O\n0.714418 0.237695 0.312576 O\n0.313811 0.313810 0.109925 O\n0.285582 0.762304 0.687424 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.071432403284249,
"density_atomic": 0.0695222372609075,
"volume": 172.6066431804493,
"volume_molar": 8.662179177864665,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423375725,
"spacegroup": 12
},
{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073357105018789,
"density_atomic": 0.06955510273855543,
"volume": 172.5250848252751,
"volume_molar": 8.658086212072888,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-111893",
"created_at": "2022-09-04T14:38:42.379208Z",
"updated_at": "2022-09-04T14:38:42.379237Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.925486 -0.033453 0.304841\n2.081040 4.462733 0.328035\n0.054031 -0.006258 7.827585\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369879 0.369880 0.290101 P\n0.630121 0.630120 0.709898 P\n0.762150 0.285507 0.687452 O\n0.686224 0.686160 0.890097 O\n0.237851 0.714493 0.312547 O\n0.235445 0.235466 0.438352 O\n0.764556 0.764534 0.561647 O\n0.714506 0.237747 0.312523 O\n0.313776 0.313840 0.109901 O\n0.285494 0.762253 0.687476 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073096308088237,
"density_atomic": 0.06955064946897195,
"volume": 172.53613146133824,
"volume_molar": 8.658640582050362,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-56632",
"created_at": "2022-09-04T14:38:34.231588Z",
"updated_at": "2022-09-04T14:38:34.231602Z",
"structure_string": "Ba1 Mo4 P2 O16\n1.0\n6.590072 -0.000000 -3.630143\n-1.999665 6.279362 -3.630143\n-0.050806 -0.069499 7.704568\nBa Mo P O\n1 4 2 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.246276 0.491512 0.737789 Mo\n0.753724 0.753724 0.262212 Mo\n0.491512 0.246276 0.737789 Mo\n0.508487 0.508487 0.262212 Mo\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.034754 0.546401 0.841487 O\n0.283634 0.283634 0.825834 O\n0.359597 0.076239 0.435837 O\n0.457801 0.716365 0.174166 O\n0.704915 0.965245 0.158514 O\n0.716365 0.457800 0.174166 O\n0.965245 0.704915 0.158514 O\n0.806730 0.295085 0.841487 O\n0.295085 0.806730 0.841487 O\n0.923761 0.923760 0.564164 O\n0.546401 0.034755 0.841487 O\n0.542199 0.542199 0.825834 O\n0.193269 0.453598 0.158514 O\n0.076239 0.359597 0.435837 O\n0.453598 0.193269 0.158514 O\n0.640402 0.640402 0.564164 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.415941406679505,
"density_atomic": 0.07289994131412829,
"volume": 315.5009398552494,
"volume_molar": 8.26083073791568,
"formula_full": "Ba1 Mo4 P2 O16",
"formula_reduced": "BaMo4(PO8)2",
"formula_anonymous": "AB2C4D16",
"energy_above_hull": 3.6744481117391294,
"spacegroup": 121
}
]
}