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=1128",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1126",
"results": [
{
"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-118854",
"created_at": "2022-09-04T14:38:50.361636Z",
"updated_at": "2022-09-04T14:38:50.361668Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n3.556973 -2.556205 0.490116\n3.556973 2.556205 0.490116\n-1.470745 0.000000 5.392116\nMg Cu As\n2 1 2\ndirect\n0.335334 0.335334 0.746183 Mg\n0.664667 0.664667 0.253819 Mg\n0.000000 0.000000 0.000000 Cu\n0.291066 0.291066 0.250317 As\n0.708935 0.708935 0.749685 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"As"
],
"chemical_system": "As-Cu-Mg",
"density": 4.276225140106089,
"density_atomic": 0.049145244955078,
"volume": 101.73924261788359,
"volume_molar": 12.253760797213717,
"formula_full": "Mg2 Cu1 As2",
"formula_reduced": "Mg2CuAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4712444099999997,
"spacegroup": 12
},
{
"id": "jvasp-118863",
"created_at": "2022-09-04T14:38:50.372911Z",
"updated_at": "2022-09-04T14:38:50.372946Z",
"structure_string": "As1 S1 I1\n1.0\n3.092004 0.000000 0.000000\n-0.000000 3.092004 -0.000000\n0.000000 -0.000000 9.621378\nAs S I\n1 1 1\ndirect\n0.000000 0.000000 0.390350 As\n0.000000 0.000000 0.615938 S\n0.000000 0.000000 0.000985 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"S",
"I"
],
"chemical_system": "As-I-S",
"density": 4.222263827769309,
"density_atomic": 0.0326139862100809,
"volume": 91.98507599395217,
"volume_molar": 18.46490251516256,
"formula_full": "As1 S1 I1",
"formula_reduced": "AsSI",
"formula_anonymous": "ABC",
"energy_above_hull": 1.255472675,
"spacegroup": 99
},
{
"id": "jvasp-115892",
"created_at": "2022-09-04T14:38:50.379632Z",
"updated_at": "2022-09-04T14:38:50.379661Z",
"structure_string": "Zn1 N1 Cl1\n1.0\n4.208998 -0.000000 0.000000\n-2.104499 3.645099 -0.000000\n-0.000000 -0.000000 3.246327\nZn N Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Zn\n0.333332 0.666666 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 3.829750593678662,
"density_atomic": 0.06023389441718236,
"volume": 49.80584484911236,
"volume_molar": 9.997926945069189,
"formula_full": "Zn1 N1 Cl1",
"formula_reduced": "ZnNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5356425724999998,
"spacegroup": 187
},
{
"id": "jvasp-119692",
"created_at": "2022-09-04T14:38:50.390135Z",
"updated_at": "2022-09-04T14:38:50.390173Z",
"structure_string": "V6 O8 F4\n1.0\n4.623959 -0.027189 0.012688\n0.045246 7.518622 -0.608680\n-0.015538 -0.035980 5.489860\nV O F\n6 8 4\ndirect\n0.010249 0.675185 0.689441 V\n0.513333 0.355747 0.824556 V\n0.013340 0.977589 0.008777 V\n0.510260 0.658143 0.143909 V\n0.470910 0.012178 0.482745 V\n0.970909 0.321153 0.350585 V\n0.200845 0.905027 0.697420 O\n0.700854 0.428312 0.135912 O\n0.298490 0.569462 0.864568 O\n0.798487 0.763867 0.968779 O\n0.802683 0.092480 0.296845 O\n0.305424 0.889867 0.200413 O\n0.805429 0.443464 0.632908 O\n0.302690 0.240845 0.536474 O\n0.696425 0.766327 0.465924 F\n0.701633 0.105701 0.799554 F\n0.201597 0.227651 0.033758 F\n0.196447 0.567000 0.367436 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4361846726356156,
"density_atomic": 0.09435640404537346,
"volume": 190.76606598259386,
"volume_molar": 6.382333897659043,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6460663516666667,
"spacegroup": 4
},
{
"id": "jvasp-119684",
"created_at": "2022-09-04T14:38:50.391350Z",
"updated_at": "2022-09-04T14:38:50.391373Z",
"structure_string": "Ca10 Pt4 N12\n1.0\n5.919338 0.021669 -1.343186\n-3.936236 5.555638 0.000000\n-0.010486 -0.007430 12.082303\nCa Pt N\n10 4 12\ndirect\n-0.000001 0.379247 0.750000 Ca\n-0.000000 0.620753 0.250000 Ca\n0.114110 0.804692 0.001005 Ca\n0.885890 0.690583 0.498994 Ca\n0.885890 0.195309 0.998994 Ca\n0.114109 0.309417 0.501005 Ca\n0.332614 0.033788 0.734758 Ca\n0.667385 0.701174 0.765241 Ca\n0.667385 0.966213 0.265241 Ca\n0.332614 0.298827 0.234758 Ca\n0.527413 0.709341 0.040448 Pt\n0.472587 0.181928 0.459552 Pt\n0.527413 0.818073 0.540448 Pt\n0.472587 0.290660 0.959551 Pt\n0.088088 0.996725 0.373578 N\n0.255100 0.673015 0.628714 N\n0.744899 0.417916 0.871285 N\n0.744900 0.326985 0.371285 N\n0.255100 0.582084 0.128714 N\n0.580044 0.328115 0.615253 N\n0.419955 0.748071 0.884746 N\n0.419955 0.671885 0.384746 N\n0.580045 0.251930 0.115253 N\n0.911911 0.003276 0.626421 N\n0.088088 0.091364 0.873578 N\n0.911911 0.908636 0.126422 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"N"
],
"chemical_system": "Ca-N-Pt",
"density": 5.625623551772439,
"density_atomic": 0.06528595239985537,
"volume": 398.2480004390286,
"volume_molar": 9.224251984739894,
"formula_full": "Ca10 Pt4 N12",
"formula_reduced": "Ca5(PtN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.1692095692307696,
"spacegroup": 15
},
{
"id": "jvasp-110771",
"created_at": "2022-09-04T14:38:50.392753Z",
"updated_at": "2022-09-04T14:38:50.392790Z",
"structure_string": "Dy1 Er1 Al2\n1.0\n4.376196 -0.000000 2.526598\n1.458732 4.125917 2.526598\n-0.000000 -0.000000 5.053195\nDy Er Al\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 Er\n0.750000 0.750001 0.750001 Al\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Er",
"Al"
],
"chemical_system": "Al-Dy-Er",
"density": 6.98365175010046,
"density_atomic": 0.043840619418453575,
"volume": 91.23958678184879,
"volume_molar": 13.736440862113222,
"formula_full": "Dy1 Er1 Al2",
"formula_reduced": "DyErAl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.428935525,
"spacegroup": 225
},
{
"id": "jvasp-115566",
"created_at": "2022-09-04T14:38:50.399078Z",
"updated_at": "2022-09-04T14:38:50.399094Z",
"structure_string": "Ba1 Zn1 Cl1\n1.0\n5.491907 1.193538 0.000000\n1.693386 5.360796 0.000000\n0.000000 0.000000 3.923071\nBa Zn Cl\n1 1 1\ndirect\n0.112545 -0.208444 0.000000 Ba\n-0.221230 0.457552 0.000000 Zn\n0.445841 0.124930 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.676877820229542,
"density_atomic": 0.027888788900910177,
"volume": 107.5701067787168,
"volume_molar": 21.593410819655425,
"formula_full": "Ba1 Zn1 Cl1",
"formula_reduced": "BaZnCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0418999999999999,
"spacegroup": 187
},
{
"id": "jvasp-119300",
"created_at": "2022-09-04T14:38:50.409397Z",
"updated_at": "2022-09-04T14:38:50.409427Z",
"structure_string": "Ni1 N2 F14\n1.0\n5.757202 0.046412 -3.233788\n-1.950707 5.416850 -3.233788\n-0.032337 -0.046412 6.603159\nNi N F\n1 2 14\ndirect\n0.000000 0.000000 0.000000 Ni\n0.749999 0.250000 0.499999 N\n0.249999 0.750000 0.500000 N\n0.252781 0.688178 0.274493 F\n0.586316 0.021712 0.274493 F\n0.021712 0.747219 0.435396 F\n0.311822 0.586316 0.564603 F\n0.747218 0.311822 0.725506 F\n0.805314 0.805314 -0.000001 F\n0.194686 0.194686 -0.000000 F\n0.761640 0.866028 0.627669 F\n0.866028 0.238359 0.104387 F\n0.133971 0.761641 0.895612 F\n0.238359 0.133972 0.372330 F\n0.413683 0.978288 0.725506 F\n0.688177 0.413684 0.435396 F\n0.978287 0.252781 0.564603 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ni",
"N",
"F"
],
"chemical_system": "F-N-Ni",
"density": 2.8595335831789215,
"density_atomic": 0.08300585356029529,
"volume": 204.80483328385068,
"volume_molar": 7.255079613904012,
"formula_full": "Ni1 N2 F14",
"formula_reduced": "Ni(NF7)2",
"formula_anonymous": "AB2C14",
"energy_above_hull": 0.6419784032352941,
"spacegroup": 87
},
{
"id": "jvasp-120818",
"created_at": "2022-09-04T14:38:50.410731Z",
"updated_at": "2022-09-04T14:38:50.410754Z",
"structure_string": "Ba1 B1 F1\n1.0\n6.414864 2.734485 0.000000\n2.002574 4.104562 0.000000\n0.000000 0.000000 3.798798\nBa B F\n1 1 1\ndirect\n0.423179 0.054740 0.000000 Ba\n-0.175827 0.053513 0.000000 B\n0.024675 0.053882 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 3.503325149028603,
"density_atomic": 0.03786880077383837,
"volume": 79.22088734514529,
"volume_molar": 15.90264449081892,
"formula_full": "Ba1 B1 F1",
"formula_reduced": "BaBF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9830896119444446,
"spacegroup": 38
},
{
"id": "jvasp-118098",
"created_at": "2022-09-04T14:38:50.575115Z",
"updated_at": "2022-09-04T14:38:50.575142Z",
"structure_string": "Sr1 N1 Cl1\n1.0\n4.093384 -0.000000 -0.000000\n0.000000 4.093384 0.000000\n0.000000 0.000000 6.588596\nSr N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.681764 Sr\n0.000000 0.000000 0.014201 N\n0.000000 0.000000 0.263084 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sr",
"density": 2.0618847623394654,
"density_atomic": 0.027174615075751796,
"volume": 110.39714791312473,
"volume_molar": 22.16090547451258,
"formula_full": "Sr1 N1 Cl1",
"formula_reduced": "SrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5717612091666662,
"spacegroup": 99
},
{
"id": "jvasp-119060",
"created_at": "2022-09-04T14:38:50.388257Z",
"updated_at": "2022-09-04T14:38:50.388281Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n7.584929 -0.000000 4.379161\n2.528310 7.151139 4.379161\n-0.000000 -0.000000 8.758321\nSc Al Os\n6 16 7\ndirect\n0.713971 0.713971 0.286029 Sc\n0.286029 0.713971 0.286029 Sc\n0.713971 0.286029 0.286029 Sc\n0.286029 0.286029 0.713971 Sc\n0.713971 0.286029 0.713971 Sc\n0.286029 0.713971 0.713971 Sc\n0.338203 0.338203 0.338203 Al\n0.985391 0.338203 0.338203 Al\n0.338203 0.985391 0.338203 Al\n0.338203 0.338203 0.985391 Al\n0.661797 0.661797 0.661797 Al\n0.014609 0.661797 0.661797 Al\n0.661797 0.014609 0.661797 Al\n0.661797 0.661797 0.014609 Al\n0.637344 0.120886 0.120886 Al\n0.120886 0.637344 0.120886 Al\n0.120886 0.120886 0.637344 Al\n0.879115 0.879114 0.879114 Al\n0.362656 0.879114 0.879114 Al\n0.879115 0.362656 0.879114 Al\n0.879115 0.879114 0.362656 Al\n0.120886 0.120886 0.120886 Al\n0.000000 0.500000 -0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n0.500000 0.000000 -0.000000 Os\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Os"
],
"chemical_system": "Al-Os-Sc",
"density": 7.106398840817329,
"density_atomic": 0.06104504242883905,
"volume": 475.0590522368078,
"volume_molar": 9.865077523731896,
"formula_full": "Sc6 Al16 Os7",
"formula_reduced": "Sc6Al16Os7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.7196665965517246,
"spacegroup": 225
}
]
}