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=-created_at&page=4462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4460",
"results": [
{
"id": "jvasp-68532",
"created_at": "2022-09-04T14:35:46.736006Z",
"updated_at": "2022-09-04T14:35:46.736034Z",
"structure_string": "Be1 Cu1 Se2\n1.0\n-1.686860 1.686860 7.155696\n1.686860 -1.686860 7.155696\n1.686860 1.686860 -7.155696\nBe Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Se"
],
"chemical_system": "Be-Cu-Se",
"density": 4.699038072105431,
"density_atomic": 0.049112273397917044,
"volume": 81.44603626045233,
"volume_molar": 12.261987367612699,
"formula_full": "Be1 Cu1 Se2",
"formula_reduced": "BeCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0752383208333331,
"spacegroup": 119
},
{
"id": "jvasp-91580",
"created_at": "2022-09-04T14:35:46.735812Z",
"updated_at": "2022-09-04T14:35:46.735840Z",
"structure_string": "Y2 Ni2 Ge4\n1.0\n0.000000 0.000000 -4.212612\n-4.106824 0.000000 0.000000\n2.053412 8.339663 -0.000000\nY Ni Ge\n2 2 4\ndirect\n0.750000 0.107977 0.215954 Y\n0.250000 0.892022 0.784046 Y\n0.750000 0.321243 0.642484 Ni\n0.250000 0.678757 0.357515 Ni\n0.750000 0.458912 0.917823 Ge\n0.250000 0.541087 0.082177 Ge\n0.750000 0.748091 0.496183 Ge\n0.250000 0.251908 0.503817 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Y",
"density": 6.741579239615402,
"density_atomic": 0.05544775075692495,
"volume": 144.27997332246824,
"volume_molar": 10.860928852461859,
"formula_full": "Y2 Ni2 Ge4",
"formula_reduced": "YNiGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2068849375,
"spacegroup": 63
},
{
"id": "jvasp-64005",
"created_at": "2022-09-04T14:35:46.735689Z",
"updated_at": "2022-09-04T14:35:46.735730Z",
"structure_string": "Ba1 Na1 Sc1\n1.0\n-0.000000 4.034702 4.034702\n4.034702 -0.000000 4.034702\n4.034702 4.034702 -0.000000\nBa Na Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sc"
],
"chemical_system": "Ba-Na-Sc",
"density": 2.594871560018348,
"density_atomic": 0.02283793687963201,
"volume": 131.36037706959192,
"volume_molar": 26.369022699991962,
"formula_full": "Ba1 Na1 Sc1",
"formula_reduced": "BaNaSc",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7897267399999999,
"spacegroup": 216
},
{
"id": "jvasp-93885",
"created_at": "2022-09-04T14:35:46.735606Z",
"updated_at": "2022-09-04T14:35:46.735640Z",
"structure_string": "Tm2 Cu2 Ge2\n1.0\n-2.098380 -3.634661 -0.000000\n-2.098380 3.634661 0.000000\n0.000000 0.000000 -7.273571\nTm Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.666681 0.333319 0.750000 Cu\n0.333319 0.666681 0.250000 Cu\n0.666651 0.333349 0.250000 Ge\n0.333349 0.666651 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Tm",
"density": 9.13322885940407,
"density_atomic": 0.05407861033226833,
"volume": 110.94959658051424,
"volume_molar": 11.135901464551191,
"formula_full": "Tm2 Cu2 Ge2",
"formula_reduced": "TmCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2838035499999998,
"spacegroup": 194
},
{
"id": "jvasp-44032",
"created_at": "2022-09-04T14:35:46.732298Z",
"updated_at": "2022-09-04T14:35:46.732324Z",
"structure_string": "Li2 Fe4 F10\n1.0\n3.838679 -0.000000 0.000000\n-1.919340 5.372286 -0.000000\n0.000000 0.000000 9.368314\nLi Fe F\n2 4 10\ndirect\n0.184051 0.368103 0.250000 Li\n0.815950 0.631898 0.750000 Li\n0.118583 0.237168 0.610972 Fe\n0.118583 0.237168 0.889027 Fe\n0.881417 0.762833 0.110972 Fe\n0.881417 0.762833 0.389027 Fe\n0.063579 0.127158 0.108954 F\n0.328790 0.657577 0.087342 F\n0.063579 0.127158 0.391046 F\n0.328790 0.657577 0.412658 F\n0.264307 0.528613 0.750000 F\n0.735694 0.471388 0.250000 F\n0.936422 0.872843 0.608953 F\n0.936422 0.872843 0.891046 F\n0.671211 0.342424 0.587342 F\n0.671211 0.342424 0.912657 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.672186884243731,
"density_atomic": 0.08281664302158846,
"volume": 193.19788168459274,
"volume_molar": 7.271655237740271,
"formula_full": "Li2 Fe4 F10",
"formula_reduced": "LiFe2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.7116278015625,
"spacegroup": 63
},
{
"id": "jvasp-75767",
"created_at": "2022-09-04T14:35:46.729462Z",
"updated_at": "2022-09-04T14:35:46.729486Z",
"structure_string": "Mg1 As1 Au1\n1.0\n0.000000 3.138372 3.138372\n3.138372 0.000000 3.138372\n3.138372 3.138372 0.000000\nMg As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"As",
"Au"
],
"chemical_system": "As-Au-Mg",
"density": 7.95574544448688,
"density_atomic": 0.048526391505658566,
"volume": 61.82202935180491,
"volume_molar": 12.410032094180693,
"formula_full": "Mg1 As1 Au1",
"formula_reduced": "MgAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.42331279,
"spacegroup": 216
},
{
"id": "jvasp-98067",
"created_at": "2022-09-04T14:35:46.726213Z",
"updated_at": "2022-09-04T14:35:46.726232Z",
"structure_string": "Ag8 N4 Cl4 O12\n1.0\n5.094440 0.000000 0.000000\n0.000000 6.449112 0.000000\n0.000000 0.000000 12.720976\nAg N Cl O\n8 4 4 12\ndirect\n0.250000 0.259116 0.034142 Ag\n0.750000 0.740884 0.965858 Ag\n0.250000 0.866144 0.752137 Ag\n0.750000 0.240884 0.534142 Ag\n0.750000 0.633855 0.252137 Ag\n0.250000 0.366145 0.747863 Ag\n0.250000 0.759116 0.465858 Ag\n0.750000 0.133855 0.247863 Ag\n0.750000 0.655773 0.645795 N\n0.250000 0.344227 0.354205 N\n0.750000 0.155773 0.854206 N\n0.250000 0.844227 0.145795 N\n0.250000 0.108363 0.588518 Cl\n0.250000 0.608362 0.911482 Cl\n0.750000 0.391637 0.088518 Cl\n0.750000 0.891637 0.411482 Cl\n0.750000 0.310419 0.792470 O\n0.033968 0.424100 0.385257 O\n0.466032 0.924100 0.114743 O\n0.250000 0.189580 0.292470 O\n0.966032 0.075900 0.885257 O\n0.533968 0.575900 0.614743 O\n0.466032 0.424100 0.385257 O\n0.250000 0.689580 0.207530 O\n0.966032 0.575900 0.614743 O\n0.033968 0.924100 0.114743 O\n0.750000 0.810419 0.707530 O\n0.533968 0.075900 0.885257 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-N-O",
"density": 4.977441151632959,
"density_atomic": 0.06699482038809837,
"volume": 417.9427579295996,
"volume_molar": 8.988964706695198,
"formula_full": "Ag8 N4 Cl4 O12",
"formula_reduced": "Ag2NClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.8979946196428568,
"spacegroup": 62
},
{
"id": "jvasp-48917",
"created_at": "2022-09-04T14:35:46.722409Z",
"updated_at": "2022-09-04T14:35:46.722420Z",
"structure_string": "Li1 Mn7 O9 F3\n1.0\n4.286152 2.474611 3.356852\n-4.286152 2.474612 3.356852\n0.000000 -4.949223 3.356852\nLi Mn O F\n1 7 9 3\ndirect\n0.535232 0.535232 0.535232 Li\n0.084089 0.754695 0.548581 Mn\n0.419418 0.942281 0.240333 Mn\n0.240333 0.419418 0.942281 Mn\n0.981508 0.981508 0.981508 Mn\n0.754695 0.548581 0.084089 Mn\n0.548581 0.084089 0.754695 Mn\n0.942281 0.240333 0.419418 Mn\n0.872409 0.058069 0.689815 O\n0.959204 0.300950 0.089003 O\n0.849037 0.573350 0.407932 O\n0.300950 0.089003 0.959204 O\n0.058069 0.689815 0.872408 O\n0.689815 0.872409 0.058069 O\n0.407932 0.849037 0.573350 O\n0.089003 0.959204 0.300950 O\n0.573350 0.407933 0.849037 O\n0.389621 0.583758 0.220707 F\n0.220707 0.389621 0.583758 F\n0.583758 0.220707 0.389621 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.60550549493669,
"density_atomic": 0.09362071550902791,
"volume": 213.627933639018,
"volume_molar": 6.432487433210527,
"formula_full": "Li1 Mn7 O9 F3",
"formula_reduced": "LiMn7(O3F)3",
"formula_anonymous": "AB3C7D9",
"energy_above_hull": 3.166366651857758,
"spacegroup": 146
},
{
"id": "jvasp-69188",
"created_at": "2022-09-04T14:35:46.720552Z",
"updated_at": "2022-09-04T14:35:46.720572Z",
"structure_string": "Ba2 Ti1 Bi1\n1.0\n0.000000 4.234963 4.234963\n4.234963 0.000000 4.234963\n4.234963 4.234963 -0.000000\nBa Ti Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Bi"
],
"chemical_system": "Ba-Bi-Ti",
"density": 5.809980216595005,
"density_atomic": 0.02633183558067143,
"volume": 151.90737416483614,
"volume_molar": 22.870189742565763,
"formula_full": "Ba2 Ti1 Bi1",
"formula_reduced": "Ba2TiBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0593211433333334,
"spacegroup": 225
},
{
"id": "jvasp-38325",
"created_at": "2022-09-04T14:35:46.714599Z",
"updated_at": "2022-09-04T14:35:46.714628Z",
"structure_string": "Rb1 Ni1 O3\n1.0\n3.934982 0.000000 0.000000\n0.000000 3.934982 -0.000000\n0.000000 0.000000 3.934904\nRb Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.499999 Ni\n0.000000 0.500000 0.499999 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"O"
],
"chemical_system": "Ni-O-Rb",
"density": 5.237102693432653,
"density_atomic": 0.08206356182764314,
"volume": 60.92838147217427,
"volume_molar": 7.338385790088189,
"formula_full": "Rb1 Ni1 O3",
"formula_reduced": "RbNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4267525799999998,
"spacegroup": 221
},
{
"id": "jvasp-86833",
"created_at": "2022-09-04T14:35:46.705397Z",
"updated_at": "2022-09-04T14:35:46.705424Z",
"structure_string": "Li2 Sn12 Pd4\n1.0\n6.769557 0.000000 0.000000\n0.000000 6.769557 0.000000\n0.000000 0.000000 8.765435\nLi Sn Pd\n2 12 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.841552 0.658449 0.679065 Sn\n0.841552 0.658449 0.320935 Sn\n0.658449 0.158449 0.679065 Sn\n0.336301 0.163699 0.000000 Sn\n0.163699 0.663699 0.000000 Sn\n0.663699 0.836301 0.000000 Sn\n0.158449 0.341552 0.320935 Sn\n0.158449 0.341552 0.679065 Sn\n0.341552 0.841552 0.320935 Sn\n0.658449 0.158449 0.320935 Sn\n0.836301 0.336301 0.000000 Sn\n0.341552 0.841552 0.679065 Sn\n0.000000 0.000000 0.182662 Pd\n0.500000 0.500000 0.182662 Pd\n0.500000 0.500000 0.817339 Pd\n0.000000 0.000000 0.817339 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Pd"
],
"chemical_system": "Li-Pd-Sn",
"density": 7.705842673096414,
"density_atomic": 0.04481037029600014,
"volume": 401.69273052418214,
"volume_molar": 13.439167586029853,
"formula_full": "Li2 Sn12 Pd4",
"formula_reduced": "Li(Sn3Pd)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8229990666666668,
"spacegroup": 127
},
{
"id": "jvasp-90246",
"created_at": "2022-09-04T14:35:46.704994Z",
"updated_at": "2022-09-04T14:35:46.705017Z",
"structure_string": "Sm1 Cr2 B6\n1.0\n0.000000 -0.000000 -3.098637\n-3.279476 4.148761 -1.549317\n3.279476 4.148761 -1.549317\nSm Cr B\n1 2 6\ndirect\n0.000001 0.500000 0.500000 Sm\n0.845263 0.154738 0.154738 Cr\n0.154740 0.845262 0.845262 Cr\n0.500001 0.139257 0.860743 B\n0.500001 0.860743 0.139257 B\n0.697097 0.039200 0.566607 B\n0.302906 0.433393 0.960800 B\n0.697097 0.566607 0.039200 B\n0.302906 0.960800 0.433393 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Cr",
"B"
],
"chemical_system": "B-Cr-Sm",
"density": 6.286561520492343,
"density_atomic": 0.1067379696624405,
"volume": 84.31863589369891,
"volume_molar": 5.641985489367147,
"formula_full": "Sm1 Cr2 B6",
"formula_reduced": "Sm(CrB3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.9302943527777785,
"spacegroup": 71
}
]
}