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=-chemical_system&page=3650",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3648",
"results": [
{
"id": "jvasp-20931",
"created_at": "2022-09-04T14:38:15.886417Z",
"updated_at": "2022-09-04T14:38:15.886447Z",
"structure_string": "Ca8 B8 O20\n1.0\n0.000000 7.193193 0.066067\n5.204576 0.000000 0.000000\n0.000000 -0.604763 -11.527511\nCa B O\n8 8 20\ndirect\n0.381178 0.563307 0.632637 Ca\n0.618822 0.063306 0.867363 Ca\n0.618822 0.436694 0.367363 Ca\n0.381178 0.936695 0.132637 Ca\n0.875645 0.600851 0.665290 Ca\n0.124355 0.100851 0.834710 Ca\n0.124355 0.399149 0.334710 Ca\n0.875645 0.899150 0.165290 Ca\n0.845031 0.923028 0.404644 B\n0.154968 0.423028 0.095356 B\n0.154968 0.076973 0.595356 B\n0.845032 0.576973 0.904644 B\n0.337914 0.561900 0.910984 B\n0.337914 0.938101 0.410984 B\n0.662086 0.438101 0.089016 B\n0.662086 0.061900 0.589015 B\n0.409341 0.418745 0.825008 O\n0.145436 0.645379 0.156370 O\n0.854563 0.145378 0.343629 O\n0.106147 0.306192 0.641841 O\n0.893853 0.806192 0.858159 O\n0.893853 0.693809 0.358159 O\n0.106147 0.193809 0.141841 O\n0.590659 0.918746 0.674991 O\n0.409341 0.081255 0.325008 O\n0.230322 0.406081 0.985026 O\n0.643591 0.320514 0.571605 O\n0.356409 0.820515 0.928394 O\n0.356409 0.679486 0.428394 O\n0.643591 0.179486 0.071605 O\n0.769678 0.593920 0.014973 O\n0.230321 0.093919 0.485027 O\n0.145437 0.854622 0.656370 O\n0.769678 0.906081 0.514973 O\n0.590659 0.581255 0.174991 O\n0.854563 0.354622 0.843629 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 2.799045412604586,
"density_atomic": 0.08345823642825485,
"volume": 431.35347139700843,
"volume_molar": 7.215753672409496,
"formula_full": "Ca8 B8 O20",
"formula_reduced": "Ca2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.3066692785185183,
"spacegroup": 14
},
{
"id": "jvasp-57721",
"created_at": "2022-09-04T14:38:34.480745Z",
"updated_at": "2022-09-04T14:38:34.480773Z",
"structure_string": "Ca4 B8 O16\n1.0\n4.313774 -0.000000 0.000000\n-0.000000 6.165478 0.000000\n0.000000 0.000000 11.675076\nCa B O\n4 8 16\ndirect\n0.774116 0.250000 0.500000 Ca\n0.725883 0.750000 0.000000 Ca\n0.225883 0.750000 0.500000 Ca\n0.274116 0.250000 0.000000 Ca\n0.670942 0.872658 0.692413 B\n0.670942 0.627342 0.307588 B\n0.829056 0.127342 0.192412 B\n0.829056 0.372658 0.807588 B\n0.170943 0.627342 0.192412 B\n0.329057 0.372658 0.692413 B\n0.329057 0.127342 0.307588 B\n0.170943 0.872658 0.807588 B\n0.271744 0.908039 0.913604 O\n0.151674 0.350066 0.791872 O\n0.151674 0.149935 0.208128 O\n0.228255 0.091961 0.413604 O\n0.228255 0.408039 0.586397 O\n0.271744 0.591962 0.086397 O\n0.771744 0.908039 0.586397 O\n0.848326 0.649935 0.208128 O\n0.728255 0.408039 0.913604 O\n0.728255 0.091961 0.086397 O\n0.651673 0.149935 0.291872 O\n0.651673 0.350066 0.708129 O\n0.348326 0.649935 0.291872 O\n0.848326 0.850066 0.791872 O\n0.771744 0.591962 0.413604 O\n0.348326 0.850066 0.708129 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 2.688761104976005,
"density_atomic": 0.09017251319708569,
"volume": 310.5159100845039,
"volume_molar": 6.678466138387093,
"formula_full": "Ca4 B8 O16",
"formula_reduced": "Ca(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.544342798095238,
"spacegroup": 60
},
{
"id": "jvasp-19056",
"created_at": "2022-09-04T14:37:09.667880Z",
"updated_at": "2022-09-04T14:37:09.667902Z",
"structure_string": "Ca6 B4 O12\n1.0\n6.340843 -0.029365 0.471532\n0.435592 6.325931 0.471532\n-0.031603 -0.029365 6.358273\nCa B O\n6 4 12\ndirect\n0.608654 0.891345 0.249999 Ca\n0.891346 0.249999 0.608653 Ca\n0.391346 0.108653 0.750000 Ca\n0.750000 0.391345 0.108654 Ca\n0.108654 0.749999 0.391346 Ca\n0.250000 0.608653 0.891345 Ca\n0.382211 0.382210 0.382210 B\n0.117789 0.117789 0.117789 B\n0.882211 0.882209 0.882210 B\n0.617789 0.617788 0.617789 B\n0.781532 0.602092 0.462018 O\n0.462018 0.781531 0.602093 O\n0.602093 0.462017 0.781532 O\n0.718468 0.037980 0.897906 O\n0.102094 0.281531 0.962018 O\n0.962018 0.102092 0.281532 O\n0.537982 0.218467 0.397906 O\n0.397906 0.537981 0.218467 O\n0.218468 0.397906 0.537981 O\n0.897906 0.718467 0.037981 O\n0.037982 0.897906 0.718467 O\n0.281532 0.962018 0.102093 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.0941205837281953,
"density_atomic": 0.08617341115359856,
"volume": 255.29916601289483,
"volume_molar": 6.988397789273912,
"formula_full": "Ca6 B4 O12",
"formula_reduced": "Ca3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.1457561296969696,
"spacegroup": 167
},
{
"id": "jvasp-58268",
"created_at": "2022-09-04T14:37:14.473210Z",
"updated_at": "2022-09-04T14:37:14.473236Z",
"structure_string": "Ca2 B8 O14\n1.0\n4.212321 0.000000 0.000000\n0.000000 4.387393 0.000000\n0.000000 0.000000 10.636266\nCa B O\n2 8 14\ndirect\n0.598966 0.804045 0.500000 Ca\n0.098966 0.195955 0.000000 Ca\n0.613669 0.178213 0.749330 B\n0.113669 0.821786 0.750670 B\n0.591507 0.673057 0.879618 B\n0.091507 0.326942 0.620382 B\n0.091507 0.326942 0.379618 B\n0.591507 0.673057 0.120382 B\n0.113669 0.821786 0.249330 B\n0.613669 0.178213 0.250670 B\n0.754567 0.862632 0.225212 O\n0.254567 0.137368 0.274789 O\n0.254567 0.137368 0.725212 O\n0.754567 0.862632 0.774789 O\n0.200964 0.215915 0.500000 O\n0.700964 0.784085 0.000000 O\n0.668542 0.352028 0.862354 O\n0.750649 0.277576 0.633685 O\n0.750649 0.277576 0.366316 O\n0.168543 0.647971 0.637646 O\n0.250649 0.722424 0.133684 O\n0.168543 0.647971 0.362354 O\n0.250649 0.722424 0.866316 O\n0.668542 0.352028 0.137646 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.299922419639713,
"density_atomic": 0.12209392476272628,
"volume": 196.56997714375134,
"volume_molar": 4.932383631456889,
"formula_full": "Ca2 B8 O14",
"formula_reduced": "CaB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.259902937777778,
"spacegroup": 31
},
{
"id": "jvasp-37883",
"created_at": "2022-09-04T14:38:07.370693Z",
"updated_at": "2022-09-04T14:38:07.370709Z",
"structure_string": "Ca1 B1 O3\n1.0\n3.468591 0.000000 -0.000000\n0.000000 3.468591 -0.000000\n0.000000 0.000000 3.468591\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.9348655607328804,
"density_atomic": 0.11981487132105405,
"volume": 41.731046779677946,
"volume_molar": 5.0262047553873055,
"formula_full": "Ca1 B1 O3",
"formula_reduced": "CaBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0300247006666665,
"spacegroup": 221
},
{
"id": "jvasp-91533",
"created_at": "2022-09-04T14:35:56.584470Z",
"updated_at": "2022-09-04T14:35:56.584492Z",
"structure_string": "Ca2 Ni2 B2 N2\n1.0\n3.532599 0.000000 0.000000\n0.000000 3.532599 -0.000000\n0.000000 -0.000000 7.603102\nCa Ni B N\n2 2 2 2\ndirect\n0.000000 0.500000 0.341660 Ca\n0.500000 0.000000 0.658340 Ca\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.844800 B\n0.500000 0.000000 0.155200 B\n0.000000 0.500000 0.662636 N\n0.500000 0.000000 0.337364 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"B",
"N"
],
"chemical_system": "B-Ca-N-Ni",
"density": 4.3259327389800415,
"density_atomic": 0.08431609545318462,
"volume": 94.88105393165286,
"volume_molar": 7.142338277919562,
"formula_full": "Ca2 Ni2 B2 N2",
"formula_reduced": "CaNiBN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.2992971633333337,
"spacegroup": 129
},
{
"id": "jvasp-87047",
"created_at": "2022-09-04T14:35:59.897665Z",
"updated_at": "2022-09-04T14:35:59.897695Z",
"structure_string": "Ca3 Ni7 B2\n1.0\n4.838024 0.001198 5.994746\n2.118101 4.349728 5.994746\n0.001914 0.001198 7.703470\nCa Ni B\n3 7 2\ndirect\n0.644561 0.644563 0.644564 Ca\n0.355437 0.355438 0.355438 Ca\n0.499999 0.500001 0.500001 Ca\n0.061832 0.571693 0.061833 Ni\n0.061832 0.061833 0.571693 Ni\n0.571692 0.061833 0.061833 Ni\n0.428306 0.938169 0.938169 Ni\n0.938166 0.938169 0.428309 Ni\n0.938165 0.428309 0.938169 Ni\n0.000000 0.000000 0.000000 Ni\n0.830956 0.830959 0.830959 B\n0.169042 0.169043 0.169043 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 5.664586036490145,
"density_atomic": 0.0740633174313092,
"volume": 162.02352819436592,
"volume_molar": 8.131070776819168,
"formula_full": "Ca3 Ni7 B2",
"formula_reduced": "Ca3Ni7B2",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.4821444355555558,
"spacegroup": 166
},
{
"id": "jvasp-87046",
"created_at": "2022-09-04T14:35:52.915222Z",
"updated_at": "2022-09-04T14:35:52.915248Z",
"structure_string": "Ca2 Ni8 B2\n1.0\n5.036259 0.000000 -0.000000\n-2.518130 4.361528 0.000000\n0.000000 0.000000 6.861298\nCa Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.794468 Ni\n0.000000 0.500000 0.794468 Ni\n0.333333 0.666667 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.500000 0.000000 0.794468 Ni\n0.000000 0.500000 0.205532 Ni\n0.500000 0.500000 0.205532 Ni\n0.500000 0.000000 0.205532 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 6.294764318608547,
"density_atomic": 0.07962111271994236,
"volume": 150.7137942446063,
"volume_molar": 7.563497361789142,
"formula_full": "Ca2 Ni8 B2",
"formula_reduced": "CaNi4B",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.455020433888889,
"spacegroup": 191
},
{
"id": "jvasp-61049",
"created_at": "2022-09-04T14:36:08.691394Z",
"updated_at": "2022-09-04T14:36:08.691424Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698776 -4.773642 -0.005882\n3.698776 4.773642 -0.005882\n-2.453304 -0.000000 5.518145\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.869341 0.130662 0.500001 Ni\n0.544637 0.544637 0.813077 Ni\n0.455366 0.186925 0.455365 Ni\n0.186925 0.455366 0.455365 Ni\n0.455366 0.455366 0.186924 Ni\n0.130662 0.869341 0.500001 Ni\n0.869341 0.500001 0.130661 Ni\n0.500001 0.130662 0.869341 Ni\n0.813078 0.544637 0.544636 Ni\n0.130662 0.500001 0.869341 Ni\n0.500001 0.869341 0.130661 Ni\n0.544637 0.813078 0.544636 Ni\n0.334427 0.764464 0.764464 B\n0.764464 0.334427 0.764464 B\n0.764464 0.764464 0.334426 B\n0.235538 0.665575 0.235538 B\n0.665575 0.235538 0.235538 B\n0.235538 0.235538 0.665575 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 6.9010619527613635,
"density_atomic": 0.09757302717973844,
"volume": 194.72594577803005,
"volume_molar": 6.17193186894434,
"formula_full": "Ca1 Ni12 B6",
"formula_reduced": "Ca(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.5616213010526314,
"spacegroup": 166
},
{
"id": "jvasp-62770",
"created_at": "2022-09-04T14:36:09.442493Z",
"updated_at": "2022-09-04T14:36:09.442521Z",
"structure_string": "Ca3 Ni7 B2\n1.0\n7.263389 -2.564563 0.001051\n7.263389 2.564563 0.001051\n6.357262 -0.000000 4.349601\nCa Ni B\n3 7 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.644562 0.644562 0.644561 Ca\n0.355438 0.355438 0.355438 Ca\n0.000000 0.000000 0.000000 Ni\n0.571690 0.061825 0.061824 Ni\n0.061825 0.061825 0.571690 Ni\n0.061825 0.571690 0.061824 Ni\n0.428310 0.938175 0.938175 Ni\n0.938175 0.428310 0.938175 Ni\n0.938176 0.938176 0.428309 Ni\n0.830955 0.830955 0.830954 B\n0.169046 0.169046 0.169045 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 5.665079753016924,
"density_atomic": 0.07406977267510079,
"volume": 162.00940770584958,
"volume_molar": 8.130362147073791,
"formula_full": "Ca3 Ni7 B2",
"formula_reduced": "Ca3Ni7B2",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.4821411022222224,
"spacegroup": 166
},
{
"id": "jvasp-62875",
"created_at": "2022-09-04T14:36:15.002439Z",
"updated_at": "2022-09-04T14:36:15.002467Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698822 -4.773775 -0.005421\n3.698822 4.773775 -0.005421\n-2.454213 0.000000 5.517888\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.869348 0.130652 Ni\n0.186930 0.455379 0.455380 Ni\n0.544621 0.813070 0.544621 Ni\n0.544621 0.544621 0.813070 Ni\n0.813070 0.544621 0.544621 Ni\n0.500000 0.130652 0.869349 Ni\n0.869348 0.500000 0.130652 Ni\n0.130652 0.869348 0.500000 Ni\n0.455379 0.455379 0.186931 Ni\n0.130652 0.500000 0.869349 Ni\n0.869348 0.130652 0.500000 Ni\n0.455379 0.186930 0.455380 Ni\n0.235529 0.235529 0.665575 B\n0.235529 0.665575 0.235529 B\n0.665575 0.235529 0.235529 B\n0.764471 0.334425 0.764471 B\n0.764471 0.764471 0.334426 B\n0.334425 0.764471 0.764471 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 6.900724442691754,
"density_atomic": 0.09756825517806378,
"volume": 194.73546970092542,
"volume_molar": 6.172233734229938,
"formula_full": "Ca1 Ni12 B6",
"formula_reduced": "Ca(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.56162235368421,
"spacegroup": 166
},
{
"id": "jvasp-99279",
"created_at": "2022-09-04T14:35:44.746553Z",
"updated_at": "2022-09-04T14:35:44.746581Z",
"structure_string": "Na2 Ca8 B6 O18\n1.0\n6.486982 0.000000 -0.000000\n-3.243492 5.612888 -0.000000\n-0.000000 -0.000000 10.727816\nNa Ca B O\n2 8 6 18\ndirect\n0.228620 0.151781 0.250000 Na\n0.076839 0.848219 0.750000 Na\n0.719750 -0.000000 0.000000 Ca\n0.293979 0.700049 0.250000 Ca\n0.593930 0.299951 0.750000 Ca\n0.863694 0.571181 0.027615 Ca\n0.719750 -0.000000 0.500000 Ca\n0.863694 0.571181 0.472385 Ca\n0.292514 0.428819 0.972385 Ca\n0.292514 0.428819 0.527615 Ca\n0.607572 0.756615 0.750000 B\n0.701272 0.658833 0.250000 B\n0.042439 0.341167 0.750000 B\n0.294697 -0.000000 0.000000 B\n0.850957 0.243386 0.250000 B\n0.294697 -0.000000 0.500000 B\n0.938557 0.723784 0.250000 O\n0.663339 0.678999 0.639114 O\n0.504203 0.208108 0.528091 O\n0.576299 0.621653 0.138800 O\n0.609414 0.094781 0.250000 O\n0.296096 0.791893 0.028091 O\n0.214773 0.276217 0.750000 O\n0.984340 0.321002 0.360887 O\n0.082826 -0.000000 0.500000 O\n0.984340 0.321002 0.139113 O\n0.504203 0.208108 0.971909 O\n0.663339 0.678999 0.860887 O\n0.954646 0.378348 0.638800 O\n0.576299 0.621653 0.361200 O\n0.296096 0.791893 0.471909 O\n0.954646 0.378348 0.861200 O\n0.082826 -0.000000 0.000000 O\n0.514633 0.905219 0.750000 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Na",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-Na-O",
"density": 3.0585430951458963,
"density_atomic": 0.08704393817116853,
"volume": 390.60732676341365,
"volume_molar": 6.918506775460565,
"formula_full": "Na2 Ca8 B6 O18",
"formula_reduced": "NaCa4(BO3)3",
"formula_anonymous": "AB3C4D9",
"energy_above_hull": 2.2303705841176464,
"spacegroup": 40
}
]
}