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=848",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=846",
"results": [
{
"id": "jvasp-86517",
"created_at": "2022-09-04T14:35:52.996262Z",
"updated_at": "2022-09-04T14:35:52.996279Z",
"structure_string": "Ca2 Pt4 O8\n1.0\n5.726191 0.000000 0.000000\n0.000000 5.725668 -0.000000\n0.000000 -0.000000 5.725668\nCa Pt O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.757102 0.000000 Pt\n0.000000 0.242899 0.000000 Pt\n0.500000 0.000000 0.242899 Pt\n0.500000 0.000000 0.757102 Pt\n0.250000 0.244231 0.244231 O\n0.750000 0.244231 0.244231 O\n0.250000 0.755770 0.244231 O\n0.750000 0.755770 0.244231 O\n0.250000 0.755770 0.755770 O\n0.750000 0.244231 0.755770 O\n0.750000 0.755770 0.755770 O\n0.250000 0.244231 0.755770 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"O"
],
"chemical_system": "Ca-O-Pt",
"density": 8.743835796714013,
"density_atomic": 0.07457785387172414,
"volume": 187.72328879402144,
"volume_molar": 8.074971921769484,
"formula_full": "Ca2 Pt4 O8",
"formula_reduced": "Ca(PtO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.161566745714285,
"spacegroup": 131
},
{
"id": "jvasp-85918",
"created_at": "2022-09-04T14:36:03.426107Z",
"updated_at": "2022-09-04T14:36:03.426134Z",
"structure_string": "Ca2 Pt4 O8\n1.0\n5.726253 0.000000 0.000000\n0.000000 5.725513 -0.000000\n0.000000 0.000000 5.725513\nCa Pt O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.757100 0.000000 Pt\n0.000000 0.242900 0.000000 Pt\n0.500000 0.000000 0.242900 Pt\n0.500000 0.000000 0.757100 Pt\n0.250000 0.244230 0.244230 O\n0.750000 0.244230 0.244230 O\n0.250000 0.755770 0.244230 O\n0.750000 0.755770 0.244230 O\n0.250000 0.755770 0.755770 O\n0.750000 0.244230 0.755770 O\n0.750000 0.755770 0.755770 O\n0.250000 0.244230 0.755770 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"O"
],
"chemical_system": "Ca-O-Pt",
"density": 8.744214548570234,
"density_atomic": 0.0745810843190065,
"volume": 187.71515764128134,
"volume_molar": 8.07462215786704,
"formula_full": "Ca2 Pt4 O8",
"formula_reduced": "Ca(PtO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.161566745714285,
"spacegroup": 131
},
{
"id": "jvasp-40129",
"created_at": "2022-09-04T14:37:19.429499Z",
"updated_at": "2022-09-04T14:37:19.429525Z",
"structure_string": "Ca2 Re2 H8 Cl2 O12\n1.0\n3.516902 7.117475 -0.000000\n-3.516902 7.117475 -0.000000\n0.000000 -0.000000 6.686298\nCa Re H Cl O\n2 2 8 2 12\ndirect\n0.412099 0.412099 0.250000 Ca\n0.587901 0.587901 0.750000 Ca\n0.242818 0.242818 0.750000 Re\n0.757183 0.757183 0.250000 Re\n0.839427 0.251395 0.066386 H\n0.160576 0.748605 0.566386 H\n0.748605 0.160576 0.933615 H\n0.251395 0.839427 0.433614 H\n0.160576 0.748605 0.933615 H\n0.839427 0.251395 0.433614 H\n0.251395 0.839427 0.066386 H\n0.748605 0.160576 0.566386 H\n0.116890 0.116890 0.250000 Cl\n0.883111 0.883111 0.750000 Cl\n0.316479 0.316479 0.540371 O\n0.683522 0.683522 0.040371 O\n0.683522 0.683522 0.459630 O\n0.316479 0.316479 0.959630 O\n0.372191 0.969251 0.750000 O\n0.627810 0.030750 0.250000 O\n0.030750 0.627810 0.250000 O\n0.969251 0.372191 0.750000 O\n0.706062 0.293938 0.500000 O\n0.293938 0.706062 0.000000 O\n0.293938 0.706062 0.500000 O\n0.706062 0.293938 0.000000 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ca",
"Re",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O-Re",
"density": 3.589261427832278,
"density_atomic": 0.07767323736252314,
"volume": 334.73562945047064,
"volume_molar": 7.7531733766843685,
"formula_full": "Ca2 Re2 H8 Cl2 O12",
"formula_reduced": "CaReH4ClO6",
"formula_anonymous": "ABCD4E6",
"energy_above_hull": 2.834449499038461,
"spacegroup": 63
},
{
"id": "jvasp-78825",
"created_at": "2022-09-04T14:36:37.545878Z",
"updated_at": "2022-09-04T14:36:37.545896Z",
"structure_string": "Ca2 Rh1\n1.0\n-3.434059 -3.434059 0.000000\n-3.434059 0.000000 -3.434059\n0.000000 -3.434059 -3.434059\nCa Rh\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Rh"
],
"chemical_system": "Ca-Rh",
"density": 3.7531235486923302,
"density_atomic": 0.037039746163513305,
"volume": 80.99407557374694,
"volume_molar": 16.25859079437273,
"formula_full": "Ca2 Rh1",
"formula_reduced": "Ca2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4768679466666666,
"spacegroup": 225
},
{
"id": "jvasp-54915",
"created_at": "2022-09-04T14:38:29.385767Z",
"updated_at": "2022-09-04T14:38:29.385797Z",
"structure_string": "Ca2 Rh4\n1.0\n4.618146 0.000000 2.666288\n1.539382 4.354031 2.666288\n-0.000000 0.000000 5.332576\nCa Rh\n2 4\ndirect\n0.375000 0.375000 0.375000 Ca\n0.625000 0.625000 0.625001 Ca\n-0.000000 0.500000 0.000000 Rh\n0.500000 -0.000000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Rh"
],
"chemical_system": "Ca-Rh",
"density": 7.6159128293833795,
"density_atomic": 0.0559570770839113,
"volume": 107.22504306296426,
"volume_molar": 10.76207170537054,
"formula_full": "Ca2 Rh4",
"formula_reduced": "CaRh2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4186654733333333,
"spacegroup": 227
},
{
"id": "jvasp-20996",
"created_at": "2022-09-04T14:37:36.615141Z",
"updated_at": "2022-09-04T14:37:36.615166Z",
"structure_string": "Ca2 S2 O8\n1.0\n4.688967 -0.009037 0.000000\n-0.525639 4.659421 -0.000000\n-0.000000 -0.000000 7.007626\nCa S O\n2 2 8\ndirect\n0.351575 0.351575 0.750000 Ca\n0.648425 0.648425 0.250000 Ca\n0.848199 0.848198 0.750000 S\n0.151801 0.151801 0.250000 S\n0.159705 0.818299 0.750000 O\n0.840296 0.181700 0.250000 O\n0.818300 0.159704 0.750000 O\n0.181700 0.840295 0.250000 O\n0.294587 0.294587 0.080841 O\n0.705413 0.705413 0.580842 O\n0.294587 0.294587 0.419159 O\n0.705413 0.705413 0.919159 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"S",
"O"
],
"chemical_system": "Ca-O-S",
"density": 2.953800396289326,
"density_atomic": 0.07839631279520727,
"volume": 153.06842340082116,
"volume_molar": 7.681663263591857,
"formula_full": "Ca2 S2 O8",
"formula_reduced": "CaSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6640840700000004,
"spacegroup": 63
},
{
"id": "jvasp-41792",
"created_at": "2022-09-04T14:37:31.816568Z",
"updated_at": "2022-09-04T14:37:31.816599Z",
"structure_string": "Ca2 Sb1 Au1\n1.0\n0.000000 3.735864 3.735864\n3.735864 -0.000000 3.735864\n3.735864 3.735864 0.000000\nCa Sb Au\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Ca\n0.000000 0.000000 0.000000 Ca\n0.749998 0.749998 0.749998 Sb\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 6.351714756809357,
"density_atomic": 0.03835807660584318,
"volume": 104.28051544666529,
"volume_molar": 15.699798563629317,
"formula_full": "Ca2 Sb1 Au1",
"formula_reduced": "Ca2SbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0348136275,
"spacegroup": 225
},
{
"id": "jvasp-17375",
"created_at": "2022-09-04T14:38:19.832732Z",
"updated_at": "2022-09-04T14:38:19.832754Z",
"structure_string": "Ca2 Sb2 Au2\n1.0\n2.342911 -4.058041 -0.000000\n2.342911 4.058041 0.000000\n0.000000 0.000000 8.103456\nCa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 7.7332947229449465,
"density_atomic": 0.03893845848119644,
"volume": 154.0893048680247,
"volume_molar": 15.46579139209663,
"formula_full": "Ca2 Sb2 Au2",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1940546966666668,
"spacegroup": 194
},
{
"id": "jvasp-86999",
"created_at": "2022-09-04T14:35:46.138744Z",
"updated_at": "2022-09-04T14:35:46.138769Z",
"structure_string": "Ca2 Sb4\n1.0\n4.315330 0.000000 0.000000\n0.000000 4.488739 -1.199101\n0.000000 -0.100685 8.891314\nCa Sb\n2 4\ndirect\n0.250000 0.886615 0.290760 Ca\n0.750000 0.113384 0.709240 Ca\n0.250000 0.240820 0.013735 Sb\n0.750000 0.759180 0.986265 Sb\n0.250000 0.568179 0.621857 Sb\n0.750000 0.431821 0.378143 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 5.485215434337135,
"density_atomic": 0.03494320071642061,
"volume": 171.70722420915675,
"volume_molar": 17.234084561607027,
"formula_full": "Ca2 Sb4",
"formula_reduced": "CaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6536847166666668,
"spacegroup": 11
},
{
"id": "jvasp-9227",
"created_at": "2022-09-04T14:37:27.860123Z",
"updated_at": "2022-09-04T14:37:27.860151Z",
"structure_string": "Ca2 Sb4 O12\n1.0\n5.402822 -0.000235 0.000009\n0.000289 5.551863 -0.000072\n0.000014 0.000051 7.742915\nCa Sb O\n2 4 12\ndirect\n0.484354 0.437462 0.249994 Ca\n0.984353 0.062533 0.749993 Ca\n0.497699 0.991232 0.000524 Sb\n0.997698 0.508762 0.999464 Sb\n0.997698 0.508762 0.500524 Sb\n0.497700 0.991232 0.499464 Sb\n0.399959 0.977664 0.749993 O\n0.899958 0.522326 0.249994 O\n0.305059 0.696030 0.052097 O\n0.805061 0.803965 0.947891 O\n0.204493 0.208886 0.455789 O\n0.204492 0.208886 0.044199 O\n0.704492 0.291107 0.955788 O\n0.590092 0.024111 0.249994 O\n0.805059 0.803964 0.552098 O\n0.305057 0.696031 0.447890 O\n0.704493 0.291107 0.544199 O\n0.090093 0.475883 0.749993 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.427939481454624,
"density_atomic": 0.07750123301302557,
"volume": 232.25436938499746,
"volume_molar": 7.7703805808971635,
"formula_full": "Ca2 Sb4 O12",
"formula_reduced": "Ca(SbO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.059494846666667,
"spacegroup": 31
},
{
"id": "jvasp-10028",
"created_at": "2022-09-04T14:37:27.992265Z",
"updated_at": "2022-09-04T14:37:27.992286Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n6.773830 -0.393449 -0.047767\n3.046179 6.063032 -0.047767\n3.234334 1.867344 5.281645\nCa Sb O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Ca\n0.625000 0.124999 0.625000 Ca\n0.020512 0.020512 0.979488 Sb\n0.229487 0.229487 0.270513 Sb\n0.625000 0.625000 0.124999 Sb\n0.625000 0.624999 0.625000 Sb\n0.371143 0.371143 0.378843 O\n0.406319 0.843200 0.375241 O\n0.371143 0.371142 0.878871 O\n0.843201 0.406318 0.375241 O\n0.406800 0.843680 0.874759 O\n0.843681 0.406799 0.874759 O\n0.878857 0.878856 0.371129 O\n0.878857 0.878856 0.871157 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.140295300362479,
"density_atomic": 0.062339417703252985,
"volume": 224.5770094716405,
"volume_molar": 9.660245446414802,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7681180885714285,
"spacegroup": 74
},
{
"id": "jvasp-9671",
"created_at": "2022-09-04T14:37:58.529625Z",
"updated_at": "2022-09-04T14:37:58.529641Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n6.725809 -0.624638 0.026753\n-0.712306 6.717121 0.035910\n-3.030450 -3.076242 5.194411\nCa Sb O\n2 4 8\ndirect\n0.125235 0.875227 0.750001 Ca\n0.875012 0.125000 0.249995 Ca\n0.509392 0.000645 0.451094 Sb\n0.441675 0.490547 0.491260 Sb\n-0.000724 0.450388 0.008706 Sb\n0.549583 0.558358 0.048948 Sb\n0.702603 0.320881 0.009275 O\n0.311597 0.193337 0.490746 O\n0.806568 0.297311 0.618229 O\n0.057825 0.174642 0.003330 O\n0.171321 0.554495 0.496664 O\n0.825358 0.828685 0.383192 O\n0.679064 0.688344 -0.118274 O\n0.445484 0.942135 0.116827 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.938016717391309,
"density_atomic": 0.059886265045783545,
"volume": 233.7764759464776,
"volume_molar": 10.055963175188873,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7481223742857142,
"spacegroup": 82
}
]
}