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=-id&page=337",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=335",
"results": [
{
"id": "jvasp-92189",
"created_at": "2022-09-04T14:35:51.636212Z",
"updated_at": "2022-09-04T14:35:51.636238Z",
"structure_string": "Mg3 C1 O4\n1.0\n4.183978 0.000000 -0.000000\n-0.000000 4.183978 0.000000\n0.000000 -0.000000 4.183978\nMg C O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O",
"density": 3.376319770532453,
"density_atomic": 0.1092249388292839,
"volume": 73.24334612357914,
"volume_molar": 5.513521751119925,
"formula_full": "Mg3 C1 O4",
"formula_reduced": "Mg3CO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.6928388937499996,
"spacegroup": 221
},
{
"id": "jvasp-92188",
"created_at": "2022-09-04T14:35:47.982320Z",
"updated_at": "2022-09-04T14:35:47.982349Z",
"structure_string": "Mg3 Bi1 O4\n1.0\n4.678669 0.000000 0.000000\n0.000000 4.678669 0.000000\n-0.000000 -0.000000 4.678669\nMg Bi O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 5.60820533619391,
"density_atomic": 0.07811294696848844,
"volume": 102.4158005871585,
"volume_molar": 7.709529589799489,
"formula_full": "Mg3 Bi1 O4",
"formula_reduced": "Mg3BiO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.91897443125,
"spacegroup": 221
},
{
"id": "jvasp-92187",
"created_at": "2022-09-04T14:35:44.914189Z",
"updated_at": "2022-09-04T14:35:44.914225Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.808832 -0.001815 0.000000\n-3.405988 5.895715 0.000000\n0.000000 0.000000 5.236010\nCa Ce Mg\n1 1 6\ndirect\n0.083123 0.416876 0.250000 Ca\n0.416859 0.083142 0.750000 Ce\n0.078951 0.914738 0.250000 Mg\n0.585261 0.421048 0.250000 Mg\n0.585674 0.914326 0.250000 Mg\n0.432685 0.591087 0.750000 Mg\n0.908912 0.067315 0.750000 Mg\n0.908530 0.591469 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Mg"
],
"chemical_system": "Ca-Ce-Mg",
"density": 2.576060073449508,
"density_atomic": 0.038066881883272334,
"volume": 210.15643005726264,
"volume_molar": 15.819895042799132,
"formula_full": "Ca1 Ce1 Mg6",
"formula_reduced": "CaCeMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-92184",
"created_at": "2022-09-04T14:35:41.525428Z",
"updated_at": "2022-09-04T14:35:41.525456Z",
"structure_string": "Ba3 Sn1 S4\n1.0\n6.304837 0.000000 -0.000000\n0.000000 6.304837 -0.000000\n0.000000 0.000000 6.304837\nBa Sn S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 4.365968815260486,
"density_atomic": 0.031920405333149444,
"volume": 250.6233838983233,
"volume_molar": 18.866116194790255,
"formula_full": "Ba3 Sn1 S4",
"formula_reduced": "Ba3SnS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.83168870125,
"spacegroup": 221
},
{
"id": "jvasp-92183",
"created_at": "2022-09-04T14:36:17.851181Z",
"updated_at": "2022-09-04T14:36:17.851206Z",
"structure_string": "Ba2 Zr2 P4\n1.0\n3.936430 -0.000000 0.000000\n-1.968215 3.409048 0.000000\n0.000000 0.000000 15.370189\nBa Zr P\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.250000 Zr\n0.000000 0.000000 0.750000 Zr\n0.333334 0.666667 0.349472 P\n0.666668 0.333333 0.849471 P\n0.333334 0.666667 0.150529 P\n0.666668 0.333333 0.650529 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"P"
],
"chemical_system": "Ba-P-Zr",
"density": 4.67743936393286,
"density_atomic": 0.038786012221807886,
"volume": 206.25992572399352,
"volume_molar": 15.526578823212924,
"formula_full": "Ba2 Zr2 P4",
"formula_reduced": "BaZrP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2497528675000003,
"spacegroup": 194
},
{
"id": "jvasp-92182",
"created_at": "2022-09-04T14:36:14.773221Z",
"updated_at": "2022-09-04T14:36:14.773241Z",
"structure_string": "Rb3 Na1 H4\n1.0\n5.775689 -0.000000 -0.000000\n-0.000000 5.775689 0.000000\n-0.000000 -0.000000 5.775689\nRb Na H\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Na",
"H"
],
"chemical_system": "H-Na-Rb",
"density": 2.4427315650214254,
"density_atomic": 0.0415220308697829,
"volume": 192.6688033417434,
"volume_molar": 14.503483172309213,
"formula_full": "Rb3 Na1 H4",
"formula_reduced": "Rb3NaH4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.958857375,
"spacegroup": 221
},
{
"id": "jvasp-92181",
"created_at": "2022-09-04T14:36:09.330538Z",
"updated_at": "2022-09-04T14:36:09.330553Z",
"structure_string": "Zn3 Cr1 Se4\n1.0\n5.742132 -0.000000 0.000000\n0.000000 5.742132 -0.000000\n0.000000 0.000000 5.742132\nZn Cr Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.748857 0.748857 0.251142 Se\n0.748857 0.251142 0.748857 Se\n0.251142 0.748857 0.748857 Se\n0.251142 0.251142 0.251142 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Zn",
"density": 4.947174984291257,
"density_atomic": 0.042254257199307546,
"volume": 189.33003513149208,
"volume_molar": 14.25215152071988,
"formula_full": "Zn3 Cr1 Se4",
"formula_reduced": "Zn3CrSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.7528927583333334,
"spacegroup": 215
},
{
"id": "jvasp-92180",
"created_at": "2022-09-04T14:36:03.961939Z",
"updated_at": "2022-09-04T14:36:03.961958Z",
"structure_string": "Ce6 Mg2\n1.0\n6.832611 0.000000 0.000000\n-3.416306 5.917216 -0.000000\n0.000000 -0.000000 5.381070\nCe Mg\n6 2\ndirect\n0.653373 0.826688 0.750000 Ce\n0.173313 0.346627 0.750000 Ce\n0.173313 0.826688 0.750000 Ce\n0.826687 0.653374 0.250000 Ce\n0.826687 0.173313 0.250000 Ce\n0.346626 0.173313 0.250000 Ce\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.787776900539129,
"density_atomic": 0.03677199790096938,
"volume": 217.55684914224105,
"volume_molar": 16.37697461045826,
"formula_full": "Ce6 Mg2",
"formula_reduced": "Ce3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6121703571428572,
"spacegroup": 194
},
{
"id": "jvasp-9218",
"created_at": "2022-09-04T14:38:17.238995Z",
"updated_at": "2022-09-04T14:38:17.239014Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.326649 -0.245740 -0.456612\n1.027042 10.311013 1.648507\n-0.368088 2.765683 8.070204\nMg Sn O\n4 4 8\ndirect\n0.821031 0.860949 0.115438 Mg\n0.195216 0.111563 0.865370 Mg\n0.125327 0.902492 0.723972 Mg\n0.890870 0.070025 0.256843 Mg\n0.314913 0.609104 0.099214 Sn\n0.531944 0.719668 0.533097 Sn\n0.484278 0.252850 0.447713 Sn\n0.701343 0.363399 0.881600 Sn\n0.138869 0.330281 0.753825 O\n0.410265 0.143962 0.297879 O\n0.605927 0.828562 0.682926 O\n0.877385 0.642237 0.226977 O\n0.763501 0.096384 0.003134 O\n-0.052503 0.853500 0.365487 O\n0.252748 0.876147 0.977672 O\n0.068718 0.119018 0.615319 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.4572182744148,
"density_atomic": 0.061348295633478635,
"volume": 260.80594146561054,
"volume_molar": 9.816313065938923,
"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5766744374999999,
"spacegroup": 12
},
{
"id": "jvasp-92179",
"created_at": "2022-09-04T14:36:00.366067Z",
"updated_at": "2022-09-04T14:36:00.366091Z",
"structure_string": "Sr2 Mg6\n1.0\n5.425181 0.000000 0.000000\n0.000000 5.425181 -0.000000\n0.000000 0.000000 7.667684\nSr Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.362414800605654,
"density_atomic": 0.035448455396445776,
"volume": 225.67979085492442,
"volume_molar": 16.988443340196447,
"formula_full": "Sr2 Mg6",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1077207352941176,
"spacegroup": 225
},
{
"id": "jvasp-92178",
"created_at": "2022-09-04T14:35:56.796960Z",
"updated_at": "2022-09-04T14:35:56.796986Z",
"structure_string": "Zr4 Sn4\n1.0\n5.812225 -0.000000 0.000000\n-0.000000 5.254411 0.000000\n0.000000 0.000000 5.958457\nZr Sn\n4 4\ndirect\n0.103541 0.250000 0.875761 Zr\n0.603540 0.250000 0.624240 Zr\n0.396459 0.750000 0.375761 Zr\n0.896459 0.750000 0.124240 Zr\n0.114554 0.250000 0.375072 Sn\n0.614554 0.250000 0.124928 Sn\n0.385445 0.750000 0.875073 Sn\n0.885445 0.750000 0.624928 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.662872535328522,
"density_atomic": 0.043963242780715665,
"volume": 181.9701981471934,
"volume_molar": 13.698126842093624,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3797631,
"spacegroup": 62
},
{
"id": "jvasp-92177",
"created_at": "2022-09-04T14:35:52.959010Z",
"updated_at": "2022-09-04T14:35:52.959031Z",
"structure_string": "Si7 Ge1\n1.0\n5.520391 -0.000000 -0.000000\n0.000000 5.520391 0.000000\n-0.000000 -0.000000 5.520391\nSi Ge\n7 1\ndirect\n0.252642 0.252642 0.252642 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.747358 0.252642 0.747358 Si\n0.747358 0.747358 0.252642 Si\n0.252642 0.747358 0.747358 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ge"
],
"chemical_system": "Ge-Si",
"density": 2.6575212278811686,
"density_atomic": 0.04755327908161445,
"volume": 168.23235231096913,
"volume_molar": 12.663986325032091,
"formula_full": "Si7 Ge1",
"formula_reduced": "Si7Ge",
"formula_anonymous": "AB7",
"energy_above_hull": 3.30965826875,
"spacegroup": 215
}
]
}