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=150",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=148",
"results": [
{
"id": "jvasp-102227",
"created_at": "2022-09-04T14:36:59.287164Z",
"updated_at": "2022-09-04T14:36:59.287176Z",
"structure_string": "Ca1 Ho2 Te4\n1.0\n4.370223 0.000000 0.000000\n0.000000 7.114678 2.294269\n0.000000 0.026603 7.656011\nCa Ho Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 -0.000000 Ho\n0.500000 0.760576 0.246516 Te\n0.000000 0.252277 0.240549 Te\n0.500000 0.239424 0.753484 Te\n0.000000 0.747723 0.759451 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Te"
],
"chemical_system": "Ca-Ho-Te",
"density": 6.1478656917635055,
"density_atomic": 0.029439033605884152,
"volume": 237.77954445491272,
"volume_molar": 20.456312665088028,
"formula_full": "Ca1 Ho2 Te4",
"formula_reduced": "Ca(HoTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7634660885714287,
"spacegroup": 10
},
{
"id": "jvasp-10223",
"created_at": "2022-09-04T14:37:35.529575Z",
"updated_at": "2022-09-04T14:37:35.529594Z",
"structure_string": "Pr2 Al2 O6\n1.0\n4.642591 -0.015607 2.662708\n1.572472 4.368257 2.662673\n0.015407 0.010833 5.352015\nPr Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.749999 0.749999 Pr\n0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.250000 O\n0.750001 0.249999 0.750000 O\n0.250000 0.750000 0.749999 O\n0.750000 0.249999 0.250000 O\n0.250000 0.750000 0.250000 O\n0.250001 0.249999 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Al",
"O"
],
"chemical_system": "Al-O-Pr",
"density": 6.614075934577125,
"density_atomic": 0.09224924287475658,
"volume": 108.40197370049566,
"volume_molar": 6.528119442862029,
"formula_full": "Pr2 Al2 O6",
"formula_reduced": "PrAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5532966300000002,
"spacegroup": 221
},
{
"id": "jvasp-102230",
"created_at": "2022-09-04T14:36:40.397270Z",
"updated_at": "2022-09-04T14:36:40.397298Z",
"structure_string": "Al1 Ni6 Pd1\n1.0\n3.611630 0.000000 0.000000\n0.000000 3.611630 -0.000000\n0.000000 0.000000 7.176370\nAl Ni Pd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.242492 Ni\n0.500000 0.000000 0.757508 Ni\n0.000000 0.500000 0.242492 Ni\n0.000000 0.500000 0.757508 Ni\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pd"
],
"chemical_system": "Al-Ni-Pd",
"density": 8.613554549765375,
"density_atomic": 0.08546310381758801,
"volume": 93.60764637187945,
"volume_molar": 7.046480283297017,
"formula_full": "Al1 Ni6 Pd1",
"formula_reduced": "AlNi6Pd",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.3700816125,
"spacegroup": 123
},
{
"id": "jvasp-102233",
"created_at": "2022-09-04T14:36:40.765446Z",
"updated_at": "2022-09-04T14:36:40.765475Z",
"structure_string": "Zn1 Cu2 Si1 Se4\n1.0\n5.105543 -0.011998 -4.490789\n-1.051789 4.996043 -4.490789\n0.009759 0.011998 6.799533\nZn Cu Si Se\n1 2 1 4\ndirect\n0.750000 0.250000 0.499999 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.499999 Cu\n0.500000 0.499999 -0.000001 Si\n0.141965 0.134012 0.517879 Se\n0.616132 0.624084 0.482119 Se\n0.865987 0.383867 0.007951 Se\n0.375915 0.858035 0.992046 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Se-Si-Zn",
"density": 5.122102145767087,
"density_atomic": 0.04600223161170026,
"volume": 173.90460679227726,
"volume_molar": 13.090975261444322,
"formula_full": "Zn1 Cu2 Si1 Se4",
"formula_reduced": "ZnCu2SiSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.8633104208333333,
"spacegroup": 82
},
{
"id": "jvasp-102235",
"created_at": "2022-09-04T14:36:41.813051Z",
"updated_at": "2022-09-04T14:36:41.813060Z",
"structure_string": "Ca2 Cr2 N4\n1.0\n3.675740 -0.000000 -0.000000\n-0.000000 3.675740 -0.000000\n-0.000000 0.000000 7.335755\nCa Cr N\n2 2 4\ndirect\n0.750000 0.750000 0.160056 Ca\n0.250000 0.250000 0.839945 Ca\n0.750000 0.750000 0.593892 Cr\n0.250000 0.250000 0.406109 Cr\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.835179 N\n0.250000 0.250000 0.164821 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"N"
],
"chemical_system": "Ca-Cr-N",
"density": 4.0238567350276675,
"density_atomic": 0.08071525067899583,
"volume": 99.11385931037942,
"volume_molar": 7.460970150424267,
"formula_full": "Ca2 Cr2 N4",
"formula_reduced": "CaCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4171435800000003,
"spacegroup": 129
},
{
"id": "jvasp-102236",
"created_at": "2022-09-04T14:36:41.452666Z",
"updated_at": "2022-09-04T14:36:41.452676Z",
"structure_string": "Na2 Fe2 N2\n1.0\n3.009076 0.000000 0.000000\n-1.504538 2.605930 0.000000\n0.000000 0.000000 9.706416\nNa Fe N\n2 2 2\ndirect\n0.666667 0.333332 0.761682 Na\n0.333333 0.666668 0.261682 Na\n-0.000001 -0.000003 0.517901 Fe\n0.000001 0.000003 0.017901 Fe\n0.333332 0.666665 0.565057 N\n0.666669 0.333335 0.065056 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Fe",
"N"
],
"chemical_system": "Fe-N-Na",
"density": 4.051037795327976,
"density_atomic": 0.07883089321561797,
"volume": 76.11229246875108,
"volume_molar": 7.639315646885116,
"formula_full": "Na2 Fe2 N2",
"formula_reduced": "NaFeN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.255862583333333,
"spacegroup": 186
},
{
"id": "jvasp-102237",
"created_at": "2022-09-04T14:36:42.342727Z",
"updated_at": "2022-09-04T14:36:42.342755Z",
"structure_string": "Ba1 Fe2 N2\n1.0\n3.346586 0.000138 -0.000011\n-1.673388 2.898150 0.000036\n-0.000023 -0.000079 6.739398\nBa Fe N\n1 2 2\ndirect\n0.000001 -0.000008 0.500003 Ba\n0.666663 0.333322 0.105396 Fe\n0.333339 0.666659 0.894602 Fe\n0.666670 0.333325 0.826820 N\n0.333332 0.666655 0.173181 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 7.037561969314594,
"density_atomic": 0.07649194601220898,
"volume": 65.36635895237838,
"volume_molar": 7.872908291598176,
"formula_full": "Ba1 Fe2 N2",
"formula_reduced": "Ba(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5633786940000003,
"spacegroup": 164
},
{
"id": "jvasp-10224",
"created_at": "2022-09-04T14:38:16.464113Z",
"updated_at": "2022-09-04T14:38:16.464138Z",
"structure_string": "Zn2 P4 O12\n1.0\n4.868210 0.009051 1.182342\n1.466216 6.449459 0.618833\n0.015121 0.014340 6.642878\nZn P O\n2 4 12\ndirect\n0.750000 0.118041 0.881959 Zn\n0.250001 0.881959 0.118041 Zn\n0.763208 0.622123 0.802793 P\n0.736793 0.197206 0.377876 P\n0.236793 0.377877 0.197206 P\n0.263208 0.802794 0.622123 P\n0.840050 0.051668 0.199876 O\n0.659950 0.800123 0.948331 O\n0.454225 0.358890 0.346185 O\n0.313793 0.892262 0.405722 O\n0.954225 0.346185 0.358890 O\n0.340051 0.199877 0.051668 O\n0.159950 0.948332 0.800123 O\n0.813793 0.405723 0.892262 O\n0.686207 0.107738 0.594277 O\n0.186208 0.594277 0.107737 O\n0.545776 0.641110 0.653815 O\n0.045776 0.653815 0.641110 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 3.560276991222876,
"density_atomic": 0.08639439291078428,
"volume": 208.34685439120818,
"volume_molar": 6.970522689150443,
"formula_full": "Zn2 P4 O12",
"formula_reduced": "Zn(PO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.242229155555556,
"spacegroup": 15
},
{
"id": "jvasp-102241",
"created_at": "2022-09-04T14:36:42.445418Z",
"updated_at": "2022-09-04T14:36:42.445441Z",
"structure_string": "Na2 Ti1 N2\n1.0\n3.131094 0.000117 0.000357\n-1.565646 2.711583 0.000192\n-0.001632 -0.001288 8.773121\nNa Ti N\n2 1 2\ndirect\n0.666678 0.333326 0.294196 Na\n0.333319 0.666673 0.705804 Na\n0.000000 0.000000 0.000000 Ti\n0.666639 0.333325 0.877090 N\n0.333359 0.666674 0.122910 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ti",
"N"
],
"chemical_system": "N-Na-Ti",
"density": 2.716611511534304,
"density_atomic": 0.06712549305239673,
"volume": 74.48734858598515,
"volume_molar": 8.97146596047979,
"formula_full": "Na2 Ti1 N2",
"formula_reduced": "Na2TiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.563200566666666,
"spacegroup": 164
},
{
"id": "jvasp-102242",
"created_at": "2022-09-04T14:36:42.685599Z",
"updated_at": "2022-09-04T14:36:42.685615Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n6.826934 -0.000000 4.727586\n3.447496 4.152022 9.607711\n0.034028 -0.000000 7.243918\nTl Sb S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.500000 0.000001 Tl\n0.500000 0.000000 0.000001 Sb\n0.250000 0.500000 0.000000 Sb\n0.019812 0.500000 0.460378 S\n0.730188 0.000000 0.539623 S\n0.480189 0.500000 0.539622 S\n0.269811 0.000000 0.460379 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.332921379781412,
"density_atomic": 0.03908824301763577,
"volume": 204.66512133560397,
"volume_molar": 15.406527116818578,
"formula_full": "Tl2 Sb2 S4",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.117369675,
"spacegroup": 141
},
{
"id": "jvasp-102243",
"created_at": "2022-09-04T14:36:43.160002Z",
"updated_at": "2022-09-04T14:36:43.160013Z",
"structure_string": "Sb4 N4\n1.0\n5.406454 0.000000 0.000000\n0.000000 5.736278 0.000000\n0.000000 0.000000 5.085867\nSb N\n4 4\ndirect\n0.533779 0.790125 0.169674 Sb\n0.466220 0.209875 0.669674 Sb\n0.966220 0.790125 0.669674 Sb\n0.033780 0.209875 0.169674 Sb\n0.603742 0.878357 0.563447 N\n0.396257 0.121644 0.063446 N\n0.896257 0.878357 0.063446 N\n0.103743 0.121644 0.563447 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 5.717348286971377,
"density_atomic": 0.05072035509441566,
"volume": 157.72760236216888,
"volume_molar": 11.873222789528619,
"formula_full": "Sb4 N4",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.398239675,
"spacegroup": 29
},
{
"id": "jvasp-102245",
"created_at": "2022-09-04T14:36:43.721777Z",
"updated_at": "2022-09-04T14:36:43.721785Z",
"structure_string": "Na1 Co3 O6\n1.0\n4.832541 -0.025171 -0.681965\n-2.252459 4.111235 1.364886\n-0.005035 0.007671 5.730793\nNa Co O\n1 3 6\ndirect\n0.333345 0.166666 0.500002 Na\n0.669827 0.334915 -0.000001 Co\n0.333332 0.666666 0.000001 Co\n-0.003173 -0.001586 0.000001 Co\n0.333338 0.944955 0.172985 O\n0.002173 0.275398 0.175633 O\n0.664500 0.606566 0.175643 O\n0.664491 0.057931 0.824358 O\n0.333330 0.388381 0.827015 O\n0.002164 0.726771 0.824367 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.328194404420067,
"density_atomic": 0.08812120114613628,
"volume": 113.48006915403303,
"volume_molar": 6.83392949900121,
"formula_full": "Na1 Co3 O6",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.69807727,
"spacegroup": 12
}
]
}