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_anonymous&page=1233",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1231",
"results": [
{
"id": "jvasp-101078",
"created_at": "2022-09-04T14:36:39.980121Z",
"updated_at": "2022-09-04T14:36:39.980133Z",
"structure_string": "Zr2 V3 Fe1\n1.0\n4.449333 -0.006492 2.336868\n1.409351 4.220229 2.336868\n-0.009027 -0.006492 5.025678\nZr V Fe\n2 3 1\ndirect\n0.626149 0.626151 0.626151 Zr\n0.373849 0.373851 0.373851 Zr\n-0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"V",
"Fe"
],
"chemical_system": "Fe-V-Zr",
"density": 6.86906074899569,
"density_atomic": 0.06345885939709436,
"volume": 94.54944600335388,
"volume_molar": 9.489834543536942,
"formula_full": "Zr2 V3 Fe1",
"formula_reduced": "Zr2V3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.61923785,
"spacegroup": 166
},
{
"id": "jvasp-100000",
"created_at": "2022-09-04T14:36:22.328531Z",
"updated_at": "2022-09-04T14:36:22.328558Z",
"structure_string": "Dy2 Si3 Ni1\n1.0\n4.018354 0.000000 0.000000\n-2.009177 3.479997 -0.000000\n0.000000 0.000000 7.966109\nDy Si Ni\n2 3 1\ndirect\n0.333332 0.666668 0.241874 Dy\n0.333332 0.666668 0.758126 Dy\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666666 0.333333 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ni"
],
"chemical_system": "Dy-Ni-Si",
"density": 6.975496876126122,
"density_atomic": 0.05386143782506031,
"volume": 111.3969519248214,
"volume_molar": 11.180802078770457,
"formula_full": "Dy2 Si3 Ni1",
"formula_reduced": "Dy2Si3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.338273533333333,
"spacegroup": 187
},
{
"id": "jvasp-100794",
"created_at": "2022-09-04T14:36:30.691181Z",
"updated_at": "2022-09-04T14:36:30.691198Z",
"structure_string": "Th1 Al2 Ni3\n1.0\n5.361135 0.000000 0.000000\n-2.680567 4.642880 0.000000\n0.000000 0.000000 3.787591\nTh Al Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 -0.000000 Al\n0.333333 0.666667 -0.000000 Al\n0.500000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Th",
"density": 8.138797582838338,
"density_atomic": 0.06364202238714185,
"volume": 94.27733084126866,
"volume_molar": 9.462522613386819,
"formula_full": "Th1 Al2 Ni3",
"formula_reduced": "ThAl2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7314847333333336,
"spacegroup": 191
},
{
"id": "jvasp-97767",
"created_at": "2022-09-04T14:36:14.697492Z",
"updated_at": "2022-09-04T14:36:14.697508Z",
"structure_string": "Ca8 P4 N12\n1.0\n5.199431 0.000000 0.000000\n-2.599716 5.160136 0.000000\n0.000000 -0.000000 11.263752\nCa P N\n8 4 12\ndirect\n0.051481 0.102961 0.857722 Ca\n0.448519 0.897039 0.357722 Ca\n0.551480 0.102961 0.642277 Ca\n0.362998 0.725998 0.925916 Ca\n0.862998 0.725998 0.574084 Ca\n0.137001 0.274003 0.425916 Ca\n0.637001 0.274003 0.074084 Ca\n0.948519 0.897039 0.142277 Ca\n0.744875 0.489750 0.835001 P\n0.755125 0.510250 0.335002 P\n0.255125 0.510250 0.164998 P\n0.244875 0.489750 0.664998 P\n0.540784 0.581569 0.750000 N\n0.160025 0.320051 0.049350 N\n0.839974 0.679950 0.950650 N\n0.339974 0.679950 0.549349 N\n0.911408 0.822818 0.359199 N\n0.411408 0.822818 0.140801 N\n0.588591 0.177183 0.859199 N\n0.040784 0.581569 0.750000 N\n0.459216 0.418432 0.250000 N\n0.959216 0.418432 0.250000 N\n0.660025 0.320051 0.450650 N\n0.088591 0.177183 0.640801 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"P",
"N"
],
"chemical_system": "Ca-N-P",
"density": 3.3660894416438194,
"density_atomic": 0.0794165825706097,
"volume": 302.2038876913581,
"volume_molar": 7.582976457902458,
"formula_full": "Ca8 P4 N12",
"formula_reduced": "Ca2PN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.0310576816666663,
"spacegroup": 64
},
{
"id": "jvasp-106112",
"created_at": "2022-09-04T14:36:30.676766Z",
"updated_at": "2022-09-04T14:36:30.676790Z",
"structure_string": "Ce2 Co1 Si3\n1.0\n4.061795 0.000000 0.000000\n-2.030897 3.517619 0.000000\n0.000000 0.000000 8.031216\nCe Co Si\n2 1 3\ndirect\n0.666668 0.333333 0.238008 Ce\n0.666668 0.333333 0.761993 Ce\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Si"
],
"chemical_system": "Ce-Co-Si",
"density": 6.127369892863543,
"density_atomic": 0.052288134167752805,
"volume": 114.74878756909874,
"volume_molar": 11.517222513007516,
"formula_full": "Ce2 Co1 Si3",
"formula_reduced": "Ce2CoSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.04676295,
"spacegroup": 187
},
{
"id": "jvasp-28830",
"created_at": "2022-09-04T14:36:30.894007Z",
"updated_at": "2022-09-04T14:36:30.894024Z",
"structure_string": "Te2 W4 S6\n1.0\n3.277710 0.000021 -0.000010\n-1.638845 2.838552 -0.002988\n0.000105 0.027431 26.019322\nTe W S\n2 4 6\ndirect\n0.333593 0.667169 0.825376 Te\n0.333571 0.667142 0.676108 Te\n0.333888 0.667783 0.012590 W\n0.332982 0.665957 0.488887 W\n0.666211 0.332422 0.250697 W\n0.666926 0.333841 0.750741 W\n0.332881 0.665750 0.310095 S\n0.667225 0.334465 -0.046830 S\n0.666308 0.332619 0.429508 S\n0.667218 0.334437 0.071968 S\n0.666319 0.332628 0.548310 S\n0.332889 0.665781 0.191298 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"W",
"S"
],
"chemical_system": "S-Te-W",
"density": 8.114280944695444,
"density_atomic": 0.0495696440580196,
"volume": 242.08364268168648,
"volume_molar": 12.148848099355499,
"formula_full": "Te2 W4 S6",
"formula_reduced": "TeW2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.035301294444444,
"spacegroup": 187
},
{
"id": "jvasp-99444",
"created_at": "2022-09-04T14:36:37.249068Z",
"updated_at": "2022-09-04T14:36:37.249108Z",
"structure_string": "Sm2 In3 Cu1\n1.0\n4.749339 0.000000 0.000000\n-2.374671 4.113048 0.000000\n-0.000000 0.000000 7.595136\nSm In Cu\n2 3 1\ndirect\n0.333334 0.666667 0.724606 Sm\n0.333334 0.666667 0.262895 Sm\n0.000000 0.000000 0.482588 In\n0.000000 0.000000 0.051047 In\n0.666667 0.333333 0.936054 In\n0.666667 0.333333 0.542811 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"In",
"Cu"
],
"chemical_system": "Cu-In-Sm",
"density": 7.932156671610677,
"density_atomic": 0.04044070777456856,
"volume": 148.36535585495227,
"volume_molar": 14.891284281100212,
"formula_full": "Sm2 In3 Cu1",
"formula_reduced": "Sm2In3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1820517414583332,
"spacegroup": 156
},
{
"id": "jvasp-42462",
"created_at": "2022-09-04T14:36:36.164126Z",
"updated_at": "2022-09-04T14:36:36.164142Z",
"structure_string": "Mn4 O6 F2\n1.0\n4.491717 -0.125984 0.000000\n-0.125984 4.491717 0.000000\n-0.000000 -0.000000 5.824455\nMn O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.532459 0.467543 0.250000 Mn\n0.467543 0.532459 0.750001 Mn\n0.191077 0.808924 0.750001 O\n0.307153 0.307153 0.000000 O\n0.307153 0.307153 0.500000 O\n0.692849 0.692849 0.000000 O\n0.692849 0.692849 0.500000 O\n0.808924 0.191077 0.250000 O\n0.217803 0.782198 0.250000 F\n0.782198 0.217803 0.750001 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.002667141656319,
"density_atomic": 0.10219813528420578,
"volume": 117.41897214297354,
"volume_molar": 5.8926131511625455,
"formula_full": "Mn4 O6 F2",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.56843254420977,
"spacegroup": 63
},
{
"id": "jvasp-52248",
"created_at": "2022-09-04T14:36:37.279447Z",
"updated_at": "2022-09-04T14:36:37.279461Z",
"structure_string": "Li2 Bi1 O3\n1.0\n-3.460364 0.000112 0.008447\n-0.000137 -4.448419 -0.003083\n0.029581 2.221200 4.881818\nLi Bi O\n2 1 3\ndirect\n0.499485 0.656513 0.312102 Li\n0.498773 0.345538 0.690140 Li\n0.999083 0.000838 0.001100 Bi\n0.500617 0.150321 0.300489 O\n0.497507 0.850961 0.701716 O\n-0.000984 0.500797 0.001080 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 5.98709895301406,
"density_atomic": 0.07986798962616014,
"volume": 75.123964282616,
"volume_molar": 7.540118122652099,
"formula_full": "Li2 Bi1 O3",
"formula_reduced": "Li2BiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4838591333333335,
"spacegroup": 65
},
{
"id": "jvasp-102764",
"created_at": "2022-09-04T14:36:31.246336Z",
"updated_at": "2022-09-04T14:36:31.246374Z",
"structure_string": "Dy2 Cu1 Ag3\n1.0\n3.667411 -0.000000 0.000000\n0.000000 3.667411 0.000000\n0.000000 -0.000000 9.074774\nDy Cu Ag\n2 1 3\ndirect\n0.000000 0.000000 0.008690 Dy\n0.500000 0.500000 0.494512 Dy\n0.500000 0.500000 0.166660 Cu\n0.000000 0.000000 0.671195 Ag\n0.000000 0.000000 0.325411 Ag\n0.500000 0.500000 0.833530 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Dy",
"density": 9.688710010125266,
"density_atomic": 0.04915823323097007,
"volume": 122.05483406632997,
"volume_molar": 12.250523186431371,
"formula_full": "Dy2 Cu1 Ag3",
"formula_reduced": "Dy2CuAg3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.238539205,
"spacegroup": 99
},
{
"id": "jvasp-52789",
"created_at": "2022-09-04T14:36:15.419809Z",
"updated_at": "2022-09-04T14:36:15.419832Z",
"structure_string": "Li8 Ni4 O12\n1.0\n4.744639 0.000397 1.171953\n2.372097 4.235563 0.585449\n-0.648801 0.001136 9.478982\nLi Ni O\n8 4 12\ndirect\n0.672888 0.164033 0.500221 Li\n0.836961 0.835946 0.000230 Li\n0.999982 0.499993 0.500006 Li\n0.915952 0.168106 0.749999 Li\n0.084048 0.831896 0.250000 Li\n0.163079 0.164035 0.999776 Li\n0.500025 0.499994 0.999993 Li\n0.327094 0.835944 0.499771 Li\n0.417148 0.165695 0.250001 Ni\n0.750330 0.499331 0.250001 Ni\n0.249667 0.500677 0.750001 Ni\n0.582849 0.834314 0.750001 Ni\n0.878596 0.523732 0.862065 O\n0.046111 0.187787 0.363489 O\n0.121403 0.476278 0.137934 O\n0.309493 0.167945 0.638064 O\n0.402310 0.476278 0.362065 O\n0.522571 0.167946 0.861935 O\n0.233908 0.812219 0.863489 O\n0.766093 0.187787 0.136511 O\n0.477431 0.832062 0.138063 O\n0.597685 0.523731 0.637934 O\n0.690499 0.832063 0.361936 O\n0.953884 0.812219 0.636509 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.134514968315078,
"density_atomic": 0.12390090926434033,
"volume": 193.703178955664,
"volume_molar": 4.8604492055436594,
"formula_full": "Li8 Ni4 O12",
"formula_reduced": "Li2NiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5088604833333337,
"spacegroup": 15
},
{
"id": "jvasp-15503",
"created_at": "2022-09-04T14:36:37.146794Z",
"updated_at": "2022-09-04T14:36:37.146821Z",
"structure_string": "Y1 Co3 B2\n1.0\n2.499633 -4.329492 0.000000\n2.499633 4.329492 0.000000\n-0.000000 -0.000000 3.025171\nY Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 -0.000000 0.500000 Co\n0.499999 0.499999 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.333332 0.666666 0.000000 B\n0.666666 0.333332 0.000000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Co",
"B"
],
"chemical_system": "B-Co-Y",
"density": 7.286736719894483,
"density_atomic": 0.09163431446794464,
"volume": 65.47765468468594,
"volume_molar": 6.57192755243087,
"formula_full": "Y1 Co3 B2",
"formula_reduced": "YCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.9290638861111113,
"spacegroup": 191
}
]
}