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=spacegroup&page=348",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=346",
"results": [
{
"id": "jvasp-118904",
"created_at": "2022-09-04T14:38:51.855103Z",
"updated_at": "2022-09-04T14:38:51.855129Z",
"structure_string": "Li1 N2\n1.0\n3.795936 0.000000 0.074570\n0.000000 2.887942 0.000000\n0.141923 0.000000 2.991681\nLi N\n1 2\ndirect\n0.466922 0.000000 0.132917 Li\n-0.153074 0.000000 -0.480141 N\n0.086152 0.000000 0.747224 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.7714676992056078,
"density_atomic": 0.09155952761394405,
"volume": 32.76556878547193,
"volume_molar": 6.5772955769191395,
"formula_full": "Li1 N2",
"formula_reduced": "LiN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.220222166666666,
"spacegroup": 10
},
{
"id": "jvasp-119223",
"created_at": "2022-09-04T14:38:52.147193Z",
"updated_at": "2022-09-04T14:38:52.147221Z",
"structure_string": "Ti2 Cr2 Ag2 S8\n1.0\n3.477460 0.000000 0.000000\n0.000000 5.951061 0.133003\n0.000000 0.071841 12.621051\nTi Cr Ag S\n2 2 2 8\ndirect\n0.500000 0.531282 0.251564 Ti\n0.500000 0.468717 0.748436 Ti\n-0.000000 0.016536 0.752442 Cr\n-0.000000 0.983463 0.247557 Cr\n0.500000 0.500000 -0.000000 Ag\n0.000000 -0.000000 0.500000 Ag\n0.500000 0.153491 0.865820 S\n0.500000 0.846509 0.134179 S\n-0.000000 0.657293 0.367350 S\n-0.000000 0.342706 0.632649 S\n-0.000000 0.668465 0.852914 S\n-0.000000 0.331535 0.147085 S\n0.500000 0.156175 0.349767 S\n0.500000 0.843824 0.650233 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.272777829364117,
"density_atomic": 0.05360819959764169,
"volume": 261.1540791348621,
"volume_molar": 11.233618747130848,
"formula_full": "Ti2 Cr2 Ag2 S8",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4656775704761915,
"spacegroup": 10
},
{
"id": "jvasp-118594",
"created_at": "2022-09-04T14:38:52.492366Z",
"updated_at": "2022-09-04T14:38:52.492386Z",
"structure_string": "La1 N2\n1.0\n4.368098 0.000000 0.379979\n0.000000 3.444065 0.000000\n0.208622 0.000000 3.395031\nLa N\n1 2\ndirect\n0.466674 0.000000 -0.200035 La\n-0.138234 0.000000 0.194336 N\n0.071561 0.000000 0.405700 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 5.456005497481979,
"density_atomic": 0.05905293949903613,
"volume": 50.80187413954163,
"volume_molar": 10.19786789800412,
"formula_full": "La1 N2",
"formula_reduced": "LaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5541105,
"spacegroup": 10
},
{
"id": "jvasp-120219",
"created_at": "2022-09-04T14:38:52.681476Z",
"updated_at": "2022-09-04T14:38:52.681499Z",
"structure_string": "H1 Cl2\n1.0\n3.644531 0.000000 0.114280\n0.000000 2.640486 0.000000\n0.249253 0.000000 5.823836\nH Cl\n1 2\ndirect\n0.466746 0.000000 0.133325 H\n-0.312704 0.000000 -0.107895 Cl\n0.245957 0.000000 0.374570 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 2.1335889371108463,
"density_atomic": 0.053600621413736595,
"volume": 55.969500369097766,
"volume_molar": 11.235206982985957,
"formula_full": "H1 Cl2",
"formula_reduced": "HCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7884760449999999,
"spacegroup": 10
},
{
"id": "jvasp-118689",
"created_at": "2022-09-04T14:38:53.450662Z",
"updated_at": "2022-09-04T14:38:53.450688Z",
"structure_string": "Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.036280162847681,
"density_atomic": 0.03863870489240384,
"volume": 77.64235391310395,
"volume_molar": 15.585772806748293,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1772466666666666,
"spacegroup": 10
},
{
"id": "jvasp-118951",
"created_at": "2022-09-04T14:38:53.839259Z",
"updated_at": "2022-09-04T14:38:53.839282Z",
"structure_string": "Au2 S2\n1.0\n3.716548 -0.081171 -0.293172\n-0.373683 -4.745512 1.402229\n-0.042746 3.461194 -5.737874\nAu S\n2 2\ndirect\n0.221165 0.851535 0.865164 Au\n0.781964 0.341782 0.866594 Au\n0.583839 0.810482 0.365287 S\n0.419303 0.382840 0.366476 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 9.079116985153526,
"density_atomic": 0.04774513899435071,
"volume": 83.77816222240524,
"volume_molar": 12.61309713793597,
"formula_full": "Au2 S2",
"formula_reduced": "AuS",
"formula_anonymous": "AB",
"energy_above_hull": 0.8442287850000001,
"spacegroup": 10
},
{
"id": "jvasp-121128",
"created_at": "2022-09-04T14:38:54.296474Z",
"updated_at": "2022-09-04T14:38:54.296503Z",
"structure_string": "I1 F2\n1.0\n4.786041 0.000000 0.235499\n0.000000 3.109857 0.000000\n0.228625 0.000000 3.752808\nI F\n1 2\ndirect\n0.466670 0.000000 0.133323 I\n-0.215811 0.000000 -0.564031 F\n0.149141 0.000000 -0.169293 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 4.917040101013325,
"density_atomic": 0.0538706096172458,
"volume": 55.68899296509165,
"volume_molar": 11.17889848061439,
"formula_full": "I1 F2",
"formula_reduced": "IF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0733233333333333,
"spacegroup": 10
},
{
"id": "jvasp-120892",
"created_at": "2022-09-04T14:38:54.335421Z",
"updated_at": "2022-09-04T14:38:54.335445Z",
"structure_string": "Mn1 Bi1 O4\n1.0\n4.605873 0.000000 -0.238171\n0.000000 3.195883 0.000000\n-2.221764 0.000000 5.201811\nMn Bi O\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Bi\n0.739198 0.000000 0.213637 O\n0.727768 0.500000 0.801163 O\n0.260801 0.000000 0.786362 O\n0.272232 0.500000 0.198836 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O",
"density": 7.271998398854497,
"density_atomic": 0.08012965266069305,
"volume": 74.87864730185272,
"volume_molar": 7.515495899502522,
"formula_full": "Mn1 Bi1 O4",
"formula_reduced": "MnBiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.521330923563218,
"spacegroup": 10
},
{
"id": "jvasp-119931",
"created_at": "2022-09-04T14:38:54.262029Z",
"updated_at": "2022-09-04T14:38:54.262056Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n5.995360 2.649922 0.000000\n3.360879 7.691847 0.000000\n0.000000 0.000000 3.947361\nBa Ca Br\n1 1 1\ndirect\n-0.047523 -0.042083 0.000000 Ba\n-0.047667 0.458052 0.000000 Ca\n0.452287 -0.041932 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Br"
],
"chemical_system": "Ba-Br-Ca",
"density": 2.909011519843831,
"density_atomic": 0.020425026156506494,
"volume": 146.87863687480933,
"volume_molar": 29.484127529900945,
"formula_full": "Ba1 Ca1 Br1",
"formula_reduced": "BaCaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-120862",
"created_at": "2022-09-04T14:38:54.421800Z",
"updated_at": "2022-09-04T14:38:54.421826Z",
"structure_string": "Ba1 Hf1 Se1\n1.0\n7.970396 3.803256 0.000000\n3.192081 5.505060 0.000000\n0.000000 0.000000 3.600221\nBa Hf Se\n1 1 1\ndirect\n-0.049527 -0.057741 0.000000 Ba\n0.450317 -0.057591 0.000000 Hf\n-0.049678 0.442418 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Se"
],
"chemical_system": "Ba-Hf-Se",
"density": 5.737240754633325,
"density_atomic": 0.02625568719328918,
"volume": 114.26095907963075,
"volume_molar": 22.93651929833788,
"formula_full": "Ba1 Hf1 Se1",
"formula_reduced": "BaHfSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9260607788888888,
"spacegroup": 10
},
{
"id": "jvasp-122009",
"created_at": "2022-09-04T14:38:54.533917Z",
"updated_at": "2022-09-04T14:38:54.533944Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.852418 -0.000000 0.000000\n0.000000 4.837477 -0.949428\n0.000000 0.056852 9.664273\nLi Mn Co O\n5 2 1 8\ndirect\n0.500000 0.282782 0.279745 Li\n0.500000 0.717218 0.720255 Li\n-0.000000 0.752645 0.266820 Li\n-0.000000 0.247355 0.733180 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.873874 0.107248 O\n0.500000 0.345048 0.618203 O\n-0.000000 0.370176 0.106843 O\n-0.000000 0.883152 0.612786 O\n0.500000 0.654952 0.381796 O\n0.500000 0.126126 0.892752 O\n-0.000000 0.116848 0.387214 O\n-0.000000 0.629824 0.893157 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.12327833076986,
"density_atomic": 0.1198443538187632,
"volume": 133.50649813837947,
"volume_molar": 5.024968276024994,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.566864586422414,
"spacegroup": 10
},
{
"id": "jvasp-121188",
"created_at": "2022-09-04T14:38:54.675128Z",
"updated_at": "2022-09-04T14:38:54.675154Z",
"structure_string": "Li1 Sb1 Te1\n1.0\n5.576542 1.063139 0.000000\n1.058042 5.451201 0.000000\n0.000000 0.000000 3.124365\nLi Sb Te\n1 1 1\ndirect\n-0.075803 -0.076098 0.000000 Li\n0.424081 -0.075940 0.000000 Sb\n-0.076251 0.424066 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Te"
],
"chemical_system": "Li-Sb-Te",
"density": 4.653240316903134,
"density_atomic": 0.03280026397265128,
"volume": 91.46267854738569,
"volume_molar": 18.36003748329963,
"formula_full": "Li1 Sb1 Te1",
"formula_reduced": "LiSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 10
}
]
}