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=nelements&page=186",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=184",
"results": [
{
"id": "jvasp-37881",
"created_at": "2022-09-04T14:37:33.599121Z",
"updated_at": "2022-09-04T14:37:33.599153Z",
"structure_string": "Au3 Br1\n1.0\n-2.132928 2.132928 4.323704\n2.132928 -2.132928 4.323704\n2.132928 2.132928 -4.323704\nAu Br\n3 1\ndirect\n0.750001 0.250000 0.500001 Au\n0.250000 0.750001 0.500001 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 14.157162418764607,
"density_atomic": 0.05083837431890956,
"volume": 78.6807220645563,
"volume_molar": 11.845659584279897,
"formula_full": "Au3 Br1",
"formula_reduced": "Au3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3825392037499999,
"spacegroup": 139
},
{
"id": "jvasp-36214",
"created_at": "2022-09-04T14:37:29.962504Z",
"updated_at": "2022-09-04T14:37:29.962516Z",
"structure_string": "V2 C1\n1.0\n1.448391 -2.508687 -0.000000\n1.448391 2.508687 0.000000\n-0.000000 -0.000000 4.511392\nV C\n2 1\ndirect\n0.666667 0.333332 0.255317 V\n0.333332 0.666667 0.744682 V\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.768673269213222,
"density_atomic": 0.0915057525683775,
"volume": 32.784824077133905,
"volume_molar": 6.5811608461445825,
"formula_full": "V2 C1",
"formula_reduced": "V2C",
"formula_anonymous": "AB2",
"energy_above_hull": 4.203176133333333,
"spacegroup": 164
},
{
"id": "jvasp-22910",
"created_at": "2022-09-04T14:37:29.968150Z",
"updated_at": "2022-09-04T14:37:29.968170Z",
"structure_string": "Tc12 P4\n1.0\n4.602824 0.000000 1.611017\n2.301411 6.753575 0.805510\n0.070332 -0.000003 7.179915\nTc P\n12 4\ndirect\n0.348233 0.651738 0.651673 Tc\n0.000091 0.651674 0.348262 Tc\n0.000026 0.348327 0.651737 Tc\n0.651645 0.348263 0.348327 Tc\n0.909083 0.000076 0.591897 Tc\n0.499018 0.591898 0.999924 Tc\n0.090840 0.408104 0.000075 Tc\n0.501055 0.999926 0.408103 Tc\n0.091447 0.000017 0.197517 Tc\n0.711035 0.197517 -0.000016 Tc\n0.908535 0.802483 0.000017 Tc\n0.288980 -0.000016 0.802482 Tc\n0.209097 0.290871 0.290956 P\n0.499946 0.290956 0.709129 P\n0.500031 0.709045 0.290871 P\n0.790922 0.709130 0.709044 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 9.70446376777276,
"density_atomic": 0.07193398811076163,
"volume": 222.42614958819908,
"volume_molar": 8.371759884530944,
"formula_full": "Tc12 P4",
"formula_reduced": "Tc3P",
"formula_anonymous": "AB3",
"energy_above_hull": 4.757645,
"spacegroup": 121
},
{
"id": "jvasp-9928",
"created_at": "2022-09-04T14:37:29.968863Z",
"updated_at": "2022-09-04T14:37:29.968883Z",
"structure_string": "Bi2 F10\n1.0\n3.822781 -0.000000 -0.000000\n-1.911390 5.502906 0.000000\n0.000000 0.000000 8.819595\nBi F\n2 10\ndirect\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.462365 0.924730 0.250000 F\n0.537635 0.075271 0.750000 F\n0.083959 0.167917 0.583907 F\n0.916041 0.832083 0.416094 F\n0.331270 0.662540 0.908639 F\n0.668730 0.337461 0.091362 F\n0.668730 0.337461 0.408639 F\n0.331270 0.662540 0.591362 F\n0.083959 0.167917 0.916094 F\n0.916041 0.832083 0.083907 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 5.441180246533973,
"density_atomic": 0.06467867141566461,
"volume": 185.53256796016538,
"volume_molar": 9.310860331836517,
"formula_full": "Bi2 F10",
"formula_reduced": "BiF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1042050941666666,
"spacegroup": 63
},
{
"id": "jvasp-36539",
"created_at": "2022-09-04T14:37:18.236014Z",
"updated_at": "2022-09-04T14:37:18.236036Z",
"structure_string": "C6 N2\n1.0\n3.439255 0.000000 -0.000000\n0.000000 3.439255 0.000000\n-0.000000 0.000000 6.157173\nC N\n6 2\ndirect\n0.000000 0.000000 0.200873 C\n0.000000 0.000000 0.799127 C\n0.000000 0.499999 0.500000 C\n0.499999 0.000000 0.500000 C\n0.499999 0.499999 0.385296 C\n0.499999 0.499999 0.614704 C\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.281791029081986,
"density_atomic": 0.10984489449615627,
"volume": 72.82996662425616,
"volume_molar": 5.482403881967158,
"formula_full": "C6 N2",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy_above_hull": 6.527493312500001,
"spacegroup": 123
},
{
"id": "jvasp-50092",
"created_at": "2022-09-04T14:37:12.834919Z",
"updated_at": "2022-09-04T14:37:12.834946Z",
"structure_string": "Ti3 O3\n1.0\n4.076970 -0.000000 -0.000000\n0.000000 4.076970 -0.000000\n0.000000 0.000000 4.076970\nTi O\n3 3\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.6949421095766875,
"density_atomic": 0.08853983394615293,
"volume": 67.76610857039789,
"volume_molar": 6.801617409472975,
"formula_full": "Ti3 O3",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7493859166666668,
"spacegroup": 221
},
{
"id": "jvasp-54355",
"created_at": "2022-09-04T14:37:30.496126Z",
"updated_at": "2022-09-04T14:37:30.496156Z",
"structure_string": "In12 Ru4\n1.0\n7.084730 0.000017 0.000877\n-0.000248 7.084741 0.001255\n-0.000722 -0.000910 7.357878\nIn Ru\n12 4\ndirect\n0.844631 0.844674 0.737424 In\n0.655401 0.344630 0.237379 In\n0.844625 0.844626 0.262608 In\n0.155341 0.155366 0.262583 In\n0.655360 0.344612 0.762605 In\n0.000017 0.500023 -0.000008 In\n0.499955 0.999975 0.000012 In\n0.344642 0.655323 0.237434 In\n0.344659 0.655361 0.762579 In\n0.155384 0.155373 0.737388 In\n-0.000024 0.500014 0.500042 In\n0.499993 0.000027 0.499964 In\n0.344498 0.344496 -0.000002 Ru\n0.155508 0.844502 0.500000 Ru\n0.844500 0.155501 0.499999 Ru\n0.655509 0.655495 0.000001 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ru"
],
"chemical_system": "In-Ru",
"density": 8.012726394433393,
"density_atomic": 0.043323157661827996,
"volume": 369.3174935422029,
"volume_molar": 13.900512070259603,
"formula_full": "In12 Ru4",
"formula_reduced": "In3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7267826025000002,
"spacegroup": 136
},
{
"id": "jvasp-57160",
"created_at": "2022-09-04T14:37:33.188031Z",
"updated_at": "2022-09-04T14:37:33.188046Z",
"structure_string": "Ni2 F6\n1.0\n4.249290 0.027713 2.917849\n1.550544 3.956394 2.917849\n0.040343 0.027713 5.154482\nNi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500001 Ni\n0.610785 0.244077 0.898817 F\n0.898815 0.610784 0.244080 F\n0.244078 0.898814 0.610787 F\n0.389214 0.755921 0.101185 F\n0.101184 0.389214 0.755922 F\n0.755922 0.101183 0.389215 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"F"
],
"chemical_system": "F-Ni",
"density": 4.480370205681755,
"density_atomic": 0.09328980662189543,
"volume": 85.75427787543912,
"volume_molar": 6.455304151725601,
"formula_full": "Ni2 F6",
"formula_reduced": "NiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.006205070625,
"spacegroup": 167
},
{
"id": "jvasp-17752",
"created_at": "2022-09-04T14:37:29.986202Z",
"updated_at": "2022-09-04T14:37:29.986222Z",
"structure_string": "Na1 Pb3\n1.0\n4.916735 0.000000 -0.000000\n-0.000000 4.916735 -0.000000\n0.000000 0.000000 4.916735\nNa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.499999 0.499999 Pb\n0.499999 0.499999 0.000000 Pb\n0.499999 0.000000 0.499999 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Pb"
],
"chemical_system": "Na-Pb",
"density": 9.005381196854602,
"density_atomic": 0.033653449538445644,
"volume": 118.85854362211538,
"volume_molar": 17.894572005524477,
"formula_full": "Na1 Pb3",
"formula_reduced": "NaPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.181664227,
"spacegroup": 221
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.094693296232851,
"density_atomic": 0.052403615379718126,
"volume": 57.24795852847008,
"volume_molar": 11.491842149369644,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0997805809523804,
"spacegroup": 12
},
{
"id": "jvasp-18122",
"created_at": "2022-09-04T14:37:29.960177Z",
"updated_at": "2022-09-04T14:37:29.960211Z",
"structure_string": "U1 Tl3\n1.0\n4.738208 0.000000 0.000000\n0.000000 4.738208 0.000000\n0.000000 0.000000 4.738208\nU Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Tl"
],
"chemical_system": "Tl-U",
"density": 13.28701838271736,
"density_atomic": 0.037602578480112024,
"volume": 106.3756838408195,
"volume_molar": 16.015233538266813,
"formula_full": "U1 Tl3",
"formula_reduced": "UTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0637834500000003,
"spacegroup": 221
},
{
"id": "jvasp-17194",
"created_at": "2022-09-04T14:37:44.929599Z",
"updated_at": "2022-09-04T14:37:44.929621Z",
"structure_string": "Pt1 N1\n1.0\n2.922625 0.000000 1.687378\n0.974208 2.755477 1.687378\n0.000000 -0.000000 3.374757\nPt N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"N"
],
"chemical_system": "N-Pt",
"density": 12.77530925393187,
"density_atomic": 0.07358979677842706,
"volume": 27.17768070513686,
"volume_molar": 8.183390936833511,
"formula_full": "Pt1 N1",
"formula_reduced": "PtN",
"formula_anonymous": "AB",
"energy_above_hull": 3.121167325,
"spacegroup": 216
}
]
}