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=formula_full&page=469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=467",
"results": [
{
"id": "jvasp-64670",
"created_at": "2022-09-04T14:35:47.866893Z",
"updated_at": "2022-09-04T14:35:47.866926Z",
"structure_string": "Ba4 Ti1 Se1\n1.0\n-0.000000 4.982605 4.982605\n4.982605 0.000000 4.982605\n4.982605 4.982605 -0.000000\nBa Ti Se\n4 1 1\ndirect\n0.126418 0.624527 0.624527 Ba\n0.624527 0.624527 0.624527 Ba\n0.624527 0.126418 0.624527 Ba\n0.624527 0.624527 0.126418 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Se"
],
"chemical_system": "Ba-Se-Ti",
"density": 4.538194874863293,
"density_atomic": 0.024252241054388734,
"volume": 247.39981705378224,
"volume_molar": 24.83127537160209,
"formula_full": "Ba4 Ti1 Se1",
"formula_reduced": "Ba4TiSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8611275966666665,
"spacegroup": 216
},
{
"id": "jvasp-64064",
"created_at": "2022-09-04T14:36:03.453570Z",
"updated_at": "2022-09-04T14:36:03.453596Z",
"structure_string": "Ba4 Ti1 Si1\n1.0\n0.000000 4.920265 4.920265\n4.920265 -0.000000 4.920265\n4.920265 4.920265 0.000000\nBa Ti Si\n4 1 1\ndirect\n0.127390 0.624203 0.624203 Ba\n0.624203 0.624203 0.624203 Ba\n0.624203 0.127390 0.624203 Ba\n0.624203 0.624203 0.127390 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Si"
],
"chemical_system": "Ba-Si-Ti",
"density": 4.358274832242178,
"density_atomic": 0.025185801296833454,
"volume": 238.22946624907917,
"volume_molar": 23.910856315527063,
"formula_full": "Ba4 Ti1 Si1",
"formula_reduced": "Ba4TiSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2612134688888887,
"spacegroup": 216
},
{
"id": "jvasp-66251",
"created_at": "2022-09-04T14:35:48.687823Z",
"updated_at": "2022-09-04T14:35:48.687857Z",
"structure_string": "Ba4 Ti1 Tc1\n1.0\n0.000000 4.915042 4.915042\n4.915042 -0.000000 4.915042\n4.915042 4.915042 0.000000\nBa Ti Tc\n4 1 1\ndirect\n0.126624 0.624458 0.624458 Ba\n0.624458 0.624458 0.624458 Ba\n0.624458 0.126624 0.624458 Ba\n0.624458 0.624458 0.126624 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Tc"
],
"chemical_system": "Ba-Tc-Ti",
"density": 4.861066333065451,
"density_atomic": 0.02526617819530363,
"volume": 237.47160942272046,
"volume_molar": 23.83479097412275,
"formula_full": "Ba4 Ti1 Tc1",
"formula_reduced": "Ba4TiTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7726639522222218,
"spacegroup": 216
},
{
"id": "jvasp-64770",
"created_at": "2022-09-04T14:36:12.844058Z",
"updated_at": "2022-09-04T14:36:12.844084Z",
"structure_string": "Ba4 Ti1 Te1\n1.0\n0.000000 5.035246 5.035246\n5.035246 -0.000000 5.035246\n5.035246 5.035246 0.000000\nBa Ti Te\n4 1 1\ndirect\n0.125921 0.624694 0.624694 Ba\n0.624694 0.624694 0.624694 Ba\n0.624694 0.125921 0.624694 Ba\n0.624694 0.624694 0.125921 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Te"
],
"chemical_system": "Ba-Te-Ti",
"density": 4.713681421868147,
"density_atomic": 0.023499529947994903,
"volume": 255.32425598631812,
"volume_molar": 25.626643483198006,
"formula_full": "Ba4 Ti1 Te1",
"formula_reduced": "Ba4TiTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.75993333,
"spacegroup": 216
},
{
"id": "jvasp-64691",
"created_at": "2022-09-04T14:36:05.138552Z",
"updated_at": "2022-09-04T14:36:05.138576Z",
"structure_string": "Ba4 Ti1 Tl1\n1.0\n0.000000 5.024387 5.024387\n5.024387 0.000000 5.024387\n5.024387 5.024387 0.000000\nBa Ti Tl\n4 1 1\ndirect\n0.124352 0.625217 0.625217 Ba\n0.625217 0.625217 0.625217 Ba\n0.625217 0.124352 0.625217 Ba\n0.625217 0.625217 0.124352 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Tl"
],
"chemical_system": "Ba-Ti-Tl",
"density": 5.246926342924867,
"density_atomic": 0.02365222517590929,
"volume": 253.67592078022466,
"volume_molar": 25.4612017060187,
"formula_full": "Ba4 Ti1 Tl1",
"formula_reduced": "Ba4TiTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5302091355555555,
"spacegroup": 216
},
{
"id": "jvasp-66423",
"created_at": "2022-09-04T14:35:57.553877Z",
"updated_at": "2022-09-04T14:35:57.553903Z",
"structure_string": "Ba4 Ti1 V1\n1.0\n0.000000 4.859895 4.859895\n4.859895 0.000000 4.859895\n4.859895 4.859895 0.000000\nBa Ti V\n4 1 1\ndirect\n0.124450 0.625184 0.625184 Ba\n0.625184 0.625184 0.625184 Ba\n0.625184 0.124450 0.625184 Ba\n0.625184 0.625184 0.124450 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"V"
],
"chemical_system": "Ba-Ti-V",
"density": 4.688042293707827,
"density_atomic": 0.026136088735248857,
"volume": 229.56763197348667,
"volume_molar": 23.041476561403552,
"formula_full": "Ba4 Ti1 V1",
"formula_reduced": "Ba4TiV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5761027355555557,
"spacegroup": 216
},
{
"id": "jvasp-63977",
"created_at": "2022-09-04T14:36:02.822756Z",
"updated_at": "2022-09-04T14:36:02.822784Z",
"structure_string": "Ba4 Ti1 W1\n1.0\n-0.000000 4.836362 4.836362\n4.836362 -0.000000 4.836362\n4.836362 4.836362 -0.000000\nBa Ti W\n4 1 1\ndirect\n0.123317 0.625561 0.625561 Ba\n0.625561 0.625561 0.625561 Ba\n0.625561 0.123317 0.625561 Ba\n0.625561 0.625561 0.123317 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"W"
],
"chemical_system": "Ba-Ti-W",
"density": 5.732209784911974,
"density_atomic": 0.026519470844364318,
"volume": 226.2488582525796,
"volume_molar": 22.708374519772036,
"formula_full": "Ba4 Ti1 W1",
"formula_reduced": "Ba4TiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2595787022222225,
"spacegroup": 216
},
{
"id": "jvasp-64703",
"created_at": "2022-09-04T14:36:10.533019Z",
"updated_at": "2022-09-04T14:36:10.533044Z",
"structure_string": "Ba4 Ti1 Zn1\n1.0\n0.000000 5.005947 5.005947\n5.005947 0.000000 5.005947\n5.005947 5.005947 -0.000000\nBa Ti Zn\n4 1 1\ndirect\n0.125252 0.624917 0.624917 Ba\n0.624917 0.624917 0.624917 Ba\n0.624917 0.125252 0.624917 Ba\n0.624917 0.624917 0.125252 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Zn"
],
"chemical_system": "Ba-Ti-Zn",
"density": 4.385320149506503,
"density_atomic": 0.0239145665097124,
"volume": 250.8931114249228,
"volume_molar": 25.181893878587488,
"formula_full": "Ba4 Ti1 Zn1",
"formula_reduced": "Ba4TiZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3840071022222221,
"spacegroup": 216
},
{
"id": "jvasp-57132",
"created_at": "2022-09-04T14:38:30.769460Z",
"updated_at": "2022-09-04T14:38:30.769477Z",
"structure_string": "Ba4 Ti2 O2 F12\n1.0\n6.441905 -0.002509 3.366079\n3.080283 6.565208 1.496959\n-0.009282 -0.013356 7.404776\nBa Ti O F\n4 2 2 12\ndirect\n0.844510 0.823435 0.581446 Ba\n0.498910 0.827115 0.172950 Ba\n0.998911 0.172949 0.827116 Ba\n0.344511 0.581445 0.823436 Ba\n0.911963 0.319440 0.331513 Ti\n0.411963 0.331512 0.319441 Ti\n0.637277 0.393608 0.266159 O\n0.137277 0.266158 0.393609 O\n0.733692 0.601926 0.429411 F\n0.733389 0.237725 0.603771 F\n0.553759 0.055686 0.394288 F\n0.215548 0.847821 0.555742 F\n0.715548 0.555740 0.847822 F\n0.233693 0.429410 0.601927 F\n0.233389 0.603770 0.237726 F\n0.053759 0.394288 0.055687 F\n0.393776 0.930919 0.843709 F\n0.893775 0.843708 0.930921 F\n0.020273 0.048433 0.236705 F\n0.520272 0.236705 0.048434 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"O",
"F"
],
"chemical_system": "Ba-F-O-Ti",
"density": 4.79493838199627,
"density_atomic": 0.06381238338773193,
"volume": 313.41879018179793,
"volume_molar": 9.437260356518465,
"formula_full": "Ba4 Ti2 O2 F12",
"formula_reduced": "Ba2TiOF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1958035468333334,
"spacegroup": 9
},
{
"id": "jvasp-59859",
"created_at": "2022-09-04T14:38:35.475921Z",
"updated_at": "2022-09-04T14:38:35.475948Z",
"structure_string": "Ba4 Ti4 Cu2 F28\n1.0\n5.225099 -0.002797 0.001717\n-2.608614 7.108687 -0.062475\n-0.004282 -0.517557 15.077795\nBa Ti Cu F\n4 4 2 28\ndirect\n0.765557 0.633285 0.382666 Ba\n0.867594 0.633475 0.882668 Ba\n0.232427 0.364741 0.616523 Ba\n0.132188 0.364888 0.116527 Ba\n0.869533 0.761052 0.130423 Ti\n0.130383 0.237259 0.868904 Ti\n0.891101 0.760914 0.630445 Ti\n0.106454 0.237100 0.368932 Ti\n0.499942 0.999123 0.999646 Cu\n0.498686 0.998835 0.499624 Cu\n0.000394 0.356068 0.780055 F\n0.254816 0.152597 0.976140 F\n0.054883 -0.008950 0.338903 F\n0.745018 0.845618 0.023166 F\n0.897310 0.152324 0.476147 F\n0.513202 0.136017 0.604720 F\n0.834691 0.268395 0.301291 F\n0.642433 0.642256 0.719345 F\n0.100159 0.845294 0.523161 F\n0.377340 0.861881 0.894558 F\n0.063952 0.007142 0.160375 F\n0.841191 0.266841 0.941503 F\n0.433369 0.268456 0.801232 F\n-0.000657 0.642229 0.219304 F\n0.679292 0.514151 0.075404 F\n0.566464 0.729817 0.198092 F\n0.834400 0.513903 0.575532 F\n0.355238 0.356029 0.280084 F\n0.935911 -0.008803 0.838909 F\n0.158713 0.731473 0.057837 F\n0.622524 0.136349 0.104742 F\n0.484064 0.861604 0.394528 F\n0.163015 0.483897 0.424045 F\n0.425241 0.266640 0.441498 F\n0.572397 0.731252 0.557817 F\n0.942695 0.007014 0.660337 F\n0.162932 0.729807 0.698147 F\n0.320631 0.484121 0.923949 F\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Cu",
"F"
],
"chemical_system": "Ba-Cu-F-Ti",
"density": 4.152552226575795,
"density_atomic": 0.06788540097973286,
"volume": 559.766893199097,
"volume_molar": 8.871039535875918,
"formula_full": "Ba4 Ti4 Cu2 F28",
"formula_reduced": "Ba2Ti2CuF14",
"formula_anonymous": "AB2C2D14",
"energy_above_hull": 0.1301496321929823,
"spacegroup": 15
},
{
"id": "jvasp-64676",
"created_at": "2022-09-04T14:38:08.359350Z",
"updated_at": "2022-09-04T14:38:08.359366Z",
"structure_string": "Ba4 Tl1 Bi1\n1.0\n0.000000 5.046004 5.046004\n5.046004 0.000000 5.046004\n5.046004 5.046004 0.000000\nBa Tl Bi\n4 1 1\ndirect\n0.127874 0.624042 0.624042 Ba\n0.624042 0.624042 0.624042 Ba\n0.624042 0.127874 0.624042 Ba\n0.624042 0.624042 0.127874 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Bi"
],
"chemical_system": "Ba-Bi-Tl",
"density": 6.220918838631618,
"density_atomic": 0.023349548292977862,
"volume": 256.96428576326844,
"volume_molar": 25.79125165265444,
"formula_full": "Ba4 Tl1 Bi1",
"formula_reduced": "Ba4TlBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64725",
"created_at": "2022-09-04T14:35:50.736100Z",
"updated_at": "2022-09-04T14:35:50.736129Z",
"structure_string": "Ba4 Tl1 Cd1\n1.0\n-0.000000 5.083711 5.083711\n5.083711 -0.000000 5.083711\n5.083711 5.083711 0.000000\nBa Tl Cd\n4 1 1\ndirect\n0.124023 0.625326 0.625326 Ba\n0.625326 0.625326 0.625326 Ba\n0.625326 0.124023 0.625326 Ba\n0.625326 0.625326 0.124023 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cd"
],
"chemical_system": "Ba-Cd-Tl",
"density": 5.473255631407681,
"density_atomic": 0.022833826331501664,
"volume": 262.76804916057233,
"volume_molar": 26.373769654592778,
"formula_full": "Ba4 Tl1 Cd1",
"formula_reduced": "Ba4TlCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}