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=4586",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4584",
"results": [
{
"id": "jvasp-36423",
"created_at": "2022-09-04T14:37:28.641933Z",
"updated_at": "2022-09-04T14:37:28.641954Z",
"structure_string": "Zr1 N1\n1.0\n1.570357 -2.719939 0.000000\n1.570357 2.719939 -0.000000\n0.000000 0.000000 2.923594\nZr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333334 0.666668 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.996598300328787,
"density_atomic": 0.0800802424013477,
"volume": 24.97494937610655,
"volume_molar": 7.520133030839392,
"formula_full": "Zr1 N1",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.370683875,
"spacegroup": 187
},
{
"id": "jvasp-19679",
"created_at": "2022-09-04T14:37:54.760539Z",
"updated_at": "2022-09-04T14:37:54.760560Z",
"structure_string": "Zr1 N1\n1.0\n2.818499 0.000000 1.627261\n0.939499 2.657306 1.627261\n0.000000 0.000000 3.254522\nZr N\n1 1\ndirect\n0.500000 0.500001 0.499999 Zr\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 7.168774045824247,
"density_atomic": 0.08205089654541385,
"volume": 24.375114522886808,
"volume_molar": 7.3395185348972305,
"formula_full": "Zr1 N1",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.1808088749999994,
"spacegroup": 225
},
{
"id": "jvasp-115893",
"created_at": "2022-09-04T14:38:52.345422Z",
"updated_at": "2022-09-04T14:38:52.345457Z",
"structure_string": "Zr1 N1 Cl1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZr N Cl\n1 1 1\ndirect\n0.003187 0.316170 0.000000 Zr\n0.231611 0.004237 0.000000 N\n-0.034098 -0.048380 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 1.1691870600642036,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Zr1 N1 Cl1",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5104372724999995,
"spacegroup": 6
},
{
"id": "jvasp-115894",
"created_at": "2022-09-04T14:38:50.387688Z",
"updated_at": "2022-09-04T14:38:50.387725Z",
"structure_string": "Zr1 N1 Cl1\n1.0\n4.308674 0.000000 0.000000\n-2.154337 3.731421 0.000000\n0.000000 0.000000 3.394345\nZr N Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666666 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.280741570044288,
"density_atomic": 0.054972740198542244,
"volume": 54.57250246513186,
"volume_molar": 10.954776382349037,
"formula_full": "Zr1 N1 Cl1",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8765806058333325,
"spacegroup": 187
},
{
"id": "jvasp-28347",
"created_at": "2022-09-04T14:37:54.249957Z",
"updated_at": "2022-09-04T14:37:54.249977Z",
"structure_string": "Zr1 N2\n1.0\n3.252122 -0.185088 -1.084674\n-1.786351 3.094052 -0.000000\n-1.436941 -0.829618 4.129720\nZr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.344771 0.172385 0.678120 N\n0.655228 0.827613 0.321881 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.865073176572085,
"density_atomic": 0.08886548075324528,
"volume": 33.758890117639325,
"volume_molar": 6.776692939659898,
"formula_full": "Zr1 N2",
"formula_reduced": "ZrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.019086999999999,
"spacegroup": 12
},
{
"id": "jvasp-103386",
"created_at": "2022-09-04T14:36:35.304690Z",
"updated_at": "2022-09-04T14:36:35.304709Z",
"structure_string": "Zr1 Nb1\n1.0\n2.981838 -0.005952 0.000000\n-1.006990 2.806664 0.000000\n0.000000 0.000000 4.830601\nZr Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Nb"
],
"chemical_system": "Nb-Zr",
"density": 7.568504075370155,
"density_atomic": 0.04950687322783315,
"volume": 40.3984309571703,
"volume_molar": 12.164251885361052,
"formula_full": "Zr1 Nb1",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"energy_above_hull": 3.31233195,
"spacegroup": 65
},
{
"id": "jvasp-101071",
"created_at": "2022-09-04T14:37:03.768971Z",
"updated_at": "2022-09-04T14:37:03.768990Z",
"structure_string": "Zr1 Nb1 Al6\n1.0\n3.899004 0.000000 0.000000\n0.000000 3.899004 0.000000\n-0.000000 0.000000 8.874766\nZr Nb Al\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.244197 Al\n0.500000 0.000000 0.755803 Al\n0.500000 0.000000 0.244197 Al\n-0.000000 0.500000 0.755803 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"Al"
],
"chemical_system": "Al-Nb-Zr",
"density": 4.258783270874832,
"density_atomic": 0.0592960432821999,
"volume": 134.91625338180907,
"volume_molar": 10.156058358463502,
"formula_full": "Zr1 Nb1 Al6",
"formula_reduced": "ZrNbAl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8463525875,
"spacegroup": 123
},
{
"id": "jvasp-105948",
"created_at": "2022-09-04T14:36:15.534779Z",
"updated_at": "2022-09-04T14:36:15.534799Z",
"structure_string": "Zr1 Nb1 B2\n1.0\n4.906729 -0.000427 0.000000\n-3.707659 3.213914 0.000000\n0.000000 0.000000 3.193480\nZr Nb B\n1 1 2\ndirect\n0.851235 0.148764 0.000000 Zr\n0.139252 0.860745 0.500000 Nb\n0.452647 0.547351 0.500000 B\n0.556864 0.443134 0.000000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"B"
],
"chemical_system": "B-Nb-Zr",
"density": 6.784956108683931,
"density_atomic": 0.07943521382554472,
"volume": 50.35550113561453,
"volume_molar": 7.581197896975264,
"formula_full": "Zr1 Nb1 B2",
"formula_reduced": "ZrNbB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.506209766666666,
"spacegroup": 38
},
{
"id": "jvasp-106681",
"created_at": "2022-09-04T14:36:53.485294Z",
"updated_at": "2022-09-04T14:36:53.485323Z",
"structure_string": "Zr1 Nb1 B4\n1.0\n3.138771 -0.000000 0.000000\n-1.569385 2.718256 0.000000\n0.000000 -0.000000 6.921653\nZr Nb B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.666666 0.333334 0.756710 B\n0.666666 0.333334 0.243290 B\n0.333333 0.666668 0.756710 B\n0.333333 0.666668 0.243290 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"B"
],
"chemical_system": "B-Nb-Zr",
"density": 6.393384375872993,
"density_atomic": 0.10159946953811771,
"volume": 59.0554264434318,
"volume_molar": 5.927334844736207,
"formula_full": "Zr1 Nb1 B4",
"formula_reduced": "ZrNbB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.983104038888889,
"spacegroup": 191
},
{
"id": "jvasp-102642",
"created_at": "2022-09-04T14:37:01.164937Z",
"updated_at": "2022-09-04T14:37:01.164963Z",
"structure_string": "Zr1 Nb1 C1 N1\n1.0\n3.086200 -0.001690 4.679502\n1.402903 2.748908 4.679502\n-0.002761 -0.001690 5.605566\nZr Nb C N\n1 1 1 1\ndirect\n0.251758 0.251758 0.251758 Zr\n0.747175 0.747176 0.747176 Nb\n0.002286 0.002286 0.002286 C\n0.498779 0.498780 0.498780 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Zr",
"Nb",
"C",
"N"
],
"chemical_system": "C-N-Nb-Zr",
"density": 7.328296740226417,
"density_atomic": 0.08400190478518256,
"volume": 47.61796783333866,
"volume_molar": 7.16905262493794,
"formula_full": "Zr1 Nb1 C1 N1",
"formula_reduced": "ZrNbCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.944356787499999,
"spacegroup": 160
},
{
"id": "jvasp-106312",
"created_at": "2022-09-04T14:38:15.763547Z",
"updated_at": "2022-09-04T14:38:15.763575Z",
"structure_string": "Zr1 Nb1 C2\n1.0\n3.116799 -0.000770 4.721868\n1.417310 2.775909 4.721868\n-0.001257 -0.000770 5.657781\nZr Nb C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 Nb\n0.246725 0.246725 0.246726 C\n0.753274 0.753275 0.753276 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"C"
],
"chemical_system": "C-Nb-Zr",
"density": 7.056889698300398,
"density_atomic": 0.08166652834896763,
"volume": 48.97967479292959,
"volume_molar": 7.374062399551146,
"formula_full": "Zr1 Nb1 C2",
"formula_reduced": "ZrNbC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.264218475,
"spacegroup": 166
},
{
"id": "jvasp-99611",
"created_at": "2022-09-04T14:36:08.222100Z",
"updated_at": "2022-09-04T14:36:08.222126Z",
"structure_string": "Zr1 Nb1 Co4\n1.0\n4.171247 -0.000000 2.408271\n1.390416 3.932689 2.408271\n-0.000000 -0.000000 4.816541\nZr Nb Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n0.625152 0.625152 0.124544 Co\n0.625152 0.124545 0.625151 Co\n0.124545 0.625152 0.625151 Co\n0.625152 0.625152 0.625151 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"Co"
],
"chemical_system": "Co-Nb-Zr",
"density": 8.824012106524048,
"density_atomic": 0.07593823138728692,
"volume": 79.01158468387085,
"volume_molar": 7.930314743948841,
"formula_full": "Zr1 Nb1 Co4",
"formula_reduced": "ZrNbCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.200804583333333,
"spacegroup": 216
}
]
}