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=-nsites&page=543",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=541",
"results": [
{
"id": "jvasp-119414",
"created_at": "2022-09-04T14:38:32.789407Z",
"updated_at": "2022-09-04T14:38:32.789433Z",
"structure_string": "Ag12 S4 Br4\n1.0\n6.760810 0.119213 0.000000\n-0.004782 6.761859 0.000000\n0.000000 -0.000000 9.897123\nAg S Br\n12 4 4\ndirect\n0.550622 -0.000893 0.750000 Ag\n0.671411 0.328589 0.500000 Ag\n0.671411 0.328589 -0.000000 Ag\n0.328589 0.671411 -0.000000 Ag\n0.793469 0.793468 0.423061 Ag\n0.206532 0.206532 0.576938 Ag\n0.328589 0.671411 0.500000 Ag\n0.206532 0.206532 -0.076938 Ag\n-0.000893 0.550622 0.750000 Ag\n0.449378 0.000893 0.250000 Ag\n0.000893 0.449378 0.250000 Ag\n0.793469 0.793468 0.076938 Ag\n0.500000 -0.000000 -0.000000 S\n0.000000 0.500000 -0.000000 S\n0.500000 -0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.519012 0.519012 0.750000 Br\n-0.021374 -0.021374 0.750000 Br\n0.021374 0.021374 0.250000 Br\n0.480988 0.480988 0.250000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 6.394276519483495,
"density_atomic": 0.04420290080941518,
"volume": 452.45899327358217,
"volume_molar": 13.623858728107026,
"formula_full": "Ag12 S4 Br4",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1828611769999998,
"spacegroup": 63
},
{
"id": "jvasp-119415",
"created_at": "2022-09-04T14:38:32.818350Z",
"updated_at": "2022-09-04T14:38:32.818369Z",
"structure_string": "Tb8 Te12\n1.0\n13.541546 -0.037156 5.029470\n11.694934 6.831182 2.514378\n-0.002252 0.008376 7.543848\nTb Te\n8 12\ndirect\n0.332874 0.332873 0.167127 Tb\n0.167127 0.167127 0.332873 Tb\n0.917127 0.917126 0.082873 Tb\n0.082873 0.082874 0.917127 Tb\n0.999836 0.999835 0.500165 Tb\n0.500165 0.500165 0.999836 Tb\n0.250164 0.250165 0.749836 Tb\n0.749836 0.749835 0.250165 Tb\n0.418222 0.914917 0.584474 Te\n0.584474 0.082387 0.418222 Te\n0.167613 0.665526 0.335083 Te\n0.335083 0.831778 0.167613 Te\n0.831779 0.335083 0.665526 Te\n0.503947 0.996053 0.996053 Te\n0.746053 0.253947 0.253947 Te\n0.253947 0.746053 0.746053 Te\n0.914918 0.418221 0.082387 Te\n0.996054 0.503947 0.503947 Te\n0.665526 0.167613 0.831778 Te\n0.082387 0.584474 0.914917 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 6.635012901706559,
"density_atomic": 0.02851419519904942,
"volume": 701.4050321387554,
"volume_molar": 21.11979916655954,
"formula_full": "Tb8 Te12",
"formula_reduced": "Tb2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8996660200000002,
"spacegroup": 70
},
{
"id": "jvasp-57670",
"created_at": "2022-09-04T14:38:32.844895Z",
"updated_at": "2022-09-04T14:38:32.844921Z",
"structure_string": "Al8 O12\n1.0\n4.842061 0.000000 0.000000\n-0.000000 4.979219 0.000000\n0.000000 0.000000 7.080189\nAl O\n8 12\ndirect\n0.252241 0.030865 0.390242 Al\n0.252241 0.469136 0.609758 Al\n0.247759 0.530865 0.109758 Al\n0.247759 0.969136 0.890242 Al\n0.747759 0.969136 0.609758 Al\n0.747759 0.530865 0.390242 Al\n0.752241 0.469136 0.890242 Al\n0.752241 0.030865 0.109758 Al\n0.450347 0.750000 0.500000 O\n0.049653 0.250000 0.000000 O\n0.607142 0.102057 0.845961 O\n0.607142 0.397943 0.154039 O\n0.892858 0.602058 0.654039 O\n0.107142 0.397943 0.345961 O\n0.392858 0.897943 0.154039 O\n0.392858 0.602058 0.845961 O\n0.950347 0.750000 0.000000 O\n0.107142 0.102057 0.654039 O\n0.892858 0.897943 0.345961 O\n0.549653 0.250000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.9674185557977895,
"density_atomic": 0.11716385701133063,
"volume": 170.70110621286435,
"volume_molar": 5.139930447507898,
"formula_full": "Al8 O12",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.61457922,
"spacegroup": 60
},
{
"id": "jvasp-55441",
"created_at": "2022-09-04T14:38:32.906103Z",
"updated_at": "2022-09-04T14:38:32.906130Z",
"structure_string": "Na2 Mn2 Si4 O12\n1.0\n5.281831 -0.203971 1.148768\n1.378173 6.286364 0.582211\n-0.138286 0.117998 6.459385\nNa Mn Si O\n2 2 4 12\ndirect\n0.749999 0.297654 0.702346 Na\n0.249999 0.702346 0.297653 Na\n0.749999 0.906845 0.093155 Mn\n0.249999 0.093155 0.906845 Mn\n0.746463 0.794863 0.616797 Si\n0.246463 0.616797 0.794863 Si\n0.753536 0.383203 0.205137 Si\n0.253536 0.205137 0.383202 Si\n0.336594 0.040648 0.194882 O\n0.163405 0.805117 0.959352 O\n0.481347 0.348614 0.365015 O\n0.696443 0.622681 0.100161 O\n0.803555 0.899839 0.377319 O\n0.303555 0.377319 0.899839 O\n0.196443 0.100161 0.622681 O\n0.981347 0.365015 0.348614 O\n0.518651 0.651386 0.634985 O\n0.018651 0.634985 0.651386 O\n0.836594 0.194882 0.040648 O\n0.663405 0.959352 0.805117 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-Na-O-Si",
"density": 3.5194006544125904,
"density_atomic": 0.09211111237299326,
"volume": 217.12906819551068,
"volume_molar": 6.537909058805023,
"formula_full": "Na2 Mn2 Si4 O12",
"formula_reduced": "NaMn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.653136444137931,
"spacegroup": 15
},
{
"id": "jvasp-116805",
"created_at": "2022-09-04T14:38:44.904621Z",
"updated_at": "2022-09-04T14:38:44.904642Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.871347 -0.000000 -2.075835\n-2.935673 5.084735 -2.075835\n-0.000000 -0.000000 6.227504\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000001 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.178582 0.878069 0.699487 O\n0.300515 0.821419 0.121934 O\n0.699488 0.821419 0.520907 O\n0.121933 0.300514 0.821419 O\n0.479095 0.300514 0.178582 O\n0.300514 0.178581 0.479095 O\n0.821420 0.520906 0.699488 O\n0.699487 0.178581 0.878068 O\n0.878069 0.699487 0.178583 O\n0.178582 0.479095 0.300514 O\n0.821419 0.121932 0.300514 O\n0.520906 0.699487 0.821420 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Yb",
"density": 6.9257638256802005,
"density_atomic": 0.10757464176048957,
"volume": 185.9174213615246,
"volume_molar": 5.598104405876659,
"formula_full": "Yb1 Mn4 Cu3 O12",
"formula_reduced": "YbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.6817691507758616,
"spacegroup": 204
},
{
"id": "jvasp-57531",
"created_at": "2022-09-04T14:38:33.051038Z",
"updated_at": "2022-09-04T14:38:33.051064Z",
"structure_string": "Li4 As4 O12\n1.0\n5.103019 -0.022348 1.335244\n1.677623 6.689665 0.559681\n-0.015576 0.036233 6.919373\nLi As O\n4 4 12\ndirect\n0.749999 0.213130 0.786868 Li\n0.749999 0.896137 0.103863 Li\n0.249999 0.786870 0.213131 Li\n0.249999 0.103863 0.896136 Li\n0.261827 0.610623 0.803909 As\n0.738172 0.389377 0.196090 As\n0.238172 0.196090 0.389376 As\n0.761827 0.803910 0.610623 As\n0.011045 0.596427 0.676117 O\n0.378293 0.376211 0.877661 O\n0.988954 0.403573 0.323882 O\n0.861044 0.202185 0.034678 O\n0.121705 0.122338 0.623788 O\n0.361044 0.034679 0.202185 O\n0.488954 0.323883 0.403573 O\n0.878294 0.877662 0.376211 O\n0.638955 0.965321 0.797814 O\n0.511045 0.676117 0.596426 O\n0.138955 0.797815 0.965321 O\n0.621705 0.623788 0.122338 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"As",
"O"
],
"chemical_system": "As-Li-O",
"density": 3.645837669642928,
"density_atomic": 0.08453570146760044,
"volume": 236.58643215571232,
"volume_molar": 7.12378398173945,
"formula_full": "Li4 As4 O12",
"formula_reduced": "LiAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.85567645,
"spacegroup": 15
},
{
"id": "jvasp-112994",
"created_at": "2022-09-04T14:38:46.325822Z",
"updated_at": "2022-09-04T14:38:46.325853Z",
"structure_string": "Y1 Ga3 B4 O12\n1.0\n5.854249 -0.003680 -1.472780\n-1.888335 5.541339 -1.472780\n-0.002636 -0.003680 6.036664\nY Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.050126 0.949874 0.500000 Ga\n0.949875 0.500000 0.050126 Ga\n0.499999 0.050126 0.949873 Ga\n0.447357 0.552644 0.000000 B\n0.552643 0.000000 0.447356 B\n-0.000000 0.447356 0.552643 B\n0.000000 0.000000 0.000000 B\n0.592368 0.407633 0.000000 O\n0.000001 0.854706 0.145294 O\n0.145294 0.000000 0.854705 O\n0.854706 0.145294 0.000000 O\n0.867376 0.471411 0.708345 O\n0.528589 0.132624 0.291654 O\n0.132624 0.291654 0.528589 O\n0.708346 0.867376 0.471411 O\n0.407632 0.000000 0.592367 O\n0.291655 0.528589 0.132624 O\n0.471411 0.708346 0.867375 O\n0.000000 0.592368 0.407632 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ga-O-Y",
"density": 4.5246099960549735,
"density_atomic": 0.1021835479864817,
"volume": 195.7262239773264,
"volume_molar": 5.893454356073733,
"formula_full": "Y1 Ga3 B4 O12",
"formula_reduced": "YGa3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.933286237916667,
"spacegroup": 155
},
{
"id": "jvasp-113021",
"created_at": "2022-09-04T14:38:46.219355Z",
"updated_at": "2022-09-04T14:38:46.219373Z",
"structure_string": "La2 N2 Cl8 O8\n1.0\n4.067722 -0.000000 0.000000\n0.000000 8.350717 0.000000\n-0.000000 -0.000000 12.542760\nLa N Cl O\n2 2 8 8\ndirect\n0.511064 0.000000 0.500000 La\n0.488936 0.500000 -0.000000 La\n-0.048238 0.000000 0.000000 N\n0.048238 0.500000 0.500000 N\n0.794634 0.614537 0.209760 Cl\n0.794634 0.385463 0.790240 Cl\n0.205365 0.114537 0.290240 Cl\n0.205365 0.885463 0.709760 Cl\n0.456639 0.307146 0.596694 Cl\n0.543361 0.807146 0.903306 Cl\n0.543361 0.192854 0.096694 Cl\n0.456639 0.692854 0.403306 Cl\n0.037112 0.079362 0.927848 O\n-0.005920 0.568288 0.094028 O\n-0.005920 0.431713 0.905972 O\n0.005920 0.931713 0.594028 O\n0.005920 0.068287 0.405972 O\n0.962888 0.420638 0.427848 O\n0.962888 0.579363 0.572152 O\n0.037112 0.920638 0.072152 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-La-N-O",
"density": 2.7962029162036237,
"density_atomic": 0.04694202852734572,
"volume": 426.0574292896003,
"volume_molar": 12.828889055128599,
"formula_full": "La2 N2 Cl8 O8",
"formula_reduced": "LaN(ClO)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.954087852,
"spacegroup": 18
},
{
"id": "jvasp-119030",
"created_at": "2022-09-04T14:38:32.948373Z",
"updated_at": "2022-09-04T14:38:32.948395Z",
"structure_string": "Na6 Np2 O12\n1.0\n5.449156 -0.032323 1.841900\n2.440198 4.872349 1.841900\n-0.533326 -0.327189 10.528091\nNa Np O\n6 2 12\ndirect\n0.739825 0.240042 0.455221 Na\n0.240042 0.739826 -0.044779 Na\n0.132750 0.632922 0.276355 Na\n0.996434 0.496536 0.685709 Na\n0.632921 0.132750 0.776355 Na\n0.496536 0.996435 0.185709 Na\n0.386196 -0.113620 0.516096 Np\n-0.113620 0.386197 0.016096 Np\n0.039354 0.903753 0.624457 O\n0.386102 0.671120 0.399195 O\n0.107759 0.403481 0.124467 O\n-0.113848 0.718298 0.899217 O\n0.403480 0.107759 0.624467 O\n0.607286 0.539679 0.624569 O\n0.539678 0.607287 0.124569 O\n0.218353 0.171168 0.899136 O\n0.671120 0.386103 0.899195 O\n0.171167 0.218353 0.399136 O\n0.718298 -0.113847 0.399217 O\n0.903753 0.039355 0.124457 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Np",
"O"
],
"chemical_system": "Na-Np-O",
"density": 4.651676818058838,
"density_atomic": 0.0696901552338648,
"volume": 286.98458100551517,
"volume_molar": 8.641307713824173,
"formula_full": "Na6 Np2 O12",
"formula_reduced": "Na3NpO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.1241658,
"spacegroup": 161
},
{
"id": "jvasp-116792",
"created_at": "2022-09-04T14:38:44.801794Z",
"updated_at": "2022-09-04T14:38:44.801811Z",
"structure_string": "K8 Co4 O8\n1.0\n6.462618 0.074026 -0.000020\n-3.117953 6.061410 -0.000002\n-0.000038 -0.000009 9.527650\nK Co O\n8 4 8\ndirect\n0.743677 0.357575 0.235801 K\n0.256322 0.142419 0.735800 K\n0.743671 0.857576 0.264203 K\n0.256331 0.642428 0.764201 K\n0.213324 0.394932 0.412114 K\n0.786677 0.105070 0.912113 K\n0.786683 0.605123 0.587882 K\n0.213320 0.894879 0.087884 K\n0.695881 0.591355 0.932578 Co\n0.304118 0.908647 0.432577 Co\n0.695890 0.091409 0.567422 Co\n0.304112 0.408592 0.067422 Co\n0.492223 0.199207 0.482220 O\n0.492220 0.699156 0.017782 O\n0.507779 0.300794 0.982219 O\n0.507783 0.800847 0.517783 O\n0.952603 0.776982 0.850415 O\n0.047391 0.723014 0.350414 O\n0.047380 0.222991 0.149585 O\n0.952624 0.277013 0.649586 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 2.992311359876349,
"density_atomic": 0.05327342846178602,
"volume": 375.4216797656708,
"volume_molar": 11.304210999522565,
"formula_full": "K8 Co4 O8",
"formula_reduced": "K2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0661027800000005,
"spacegroup": 14
},
{
"id": "jvasp-119424",
"created_at": "2022-09-04T14:38:33.152830Z",
"updated_at": "2022-09-04T14:38:33.152857Z",
"structure_string": "Li5 Ti2 Fe3 O10\n1.0\n4.823547 -0.009402 1.617873\n0.330038 4.704429 1.687098\n0.019949 0.073185 7.630693\nLi Ti Fe O\n5 2 3 10\ndirect\n0.502553 0.783685 0.409874 Li\n0.517458 0.585695 0.789040 Li\n0.998007 0.501480 0.501450 Li\n0.493433 0.219349 0.592938 Li\n0.478646 0.417179 0.213791 Li\n0.005916 0.876117 0.705011 Ti\n0.990096 0.127007 0.297674 Ti\n0.997327 0.696961 0.101094 Fe\n-0.001255 0.306039 0.901851 Fe\n0.497845 0.001354 0.001426 Fe\n0.228104 0.134613 0.451823 O\n0.224523 0.961676 0.858294 O\n0.767889 0.868424 0.551053 O\n0.757932 0.637150 0.956356 O\n0.227263 0.765537 0.242682 O\n0.241753 0.553222 0.661261 O\n0.754272 0.449804 0.341636 O\n0.768762 0.237373 0.760333 O\n0.238232 0.365921 0.046517 O\n0.771420 0.041332 0.144556 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.409285094150263,
"density_atomic": 0.1159615322342129,
"volume": 172.47098770310373,
"volume_molar": 5.193222824821598,
"formula_full": "Li5 Ti2 Fe3 O10",
"formula_reduced": "Li5Ti2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.7651009083333333,
"spacegroup": 2
},
{
"id": "jvasp-54961",
"created_at": "2022-09-04T14:38:33.153393Z",
"updated_at": "2022-09-04T14:38:33.153418Z",
"structure_string": "Zr4 Al6 C10\n1.0\n1.626472 -2.817133 -0.000000\n1.626472 2.817133 -0.000000\n-0.000000 0.000000 24.558801\nZr Al C\n4 6 10\ndirect\n0.666666 0.333332 0.056492 Zr\n0.333332 0.666666 0.556492 Zr\n0.666666 0.333332 0.443508 Zr\n0.333332 0.666666 0.943508 Zr\n0.000000 0.000000 0.346351 Al\n0.666666 0.333332 0.750000 Al\n0.000000 0.000000 0.153649 Al\n0.000000 0.000000 0.846351 Al\n0.000000 0.000000 0.653649 Al\n0.333332 0.666666 0.250000 Al\n0.666666 0.333332 0.613593 C\n0.666666 0.333332 0.216916 C\n0.666666 0.333332 0.283084 C\n0.333332 0.666666 0.716916 C\n0.333332 0.666666 0.113593 C\n0.333332 0.666666 0.783084 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.386407 C\n0.666666 0.333332 0.886407 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Al",
"C"
],
"chemical_system": "Al-C-Zr",
"density": 4.772983525563255,
"density_atomic": 0.08886666817730307,
"volume": 225.05626024030556,
"volume_molar": 6.776602390431558,
"formula_full": "Zr4 Al6 C10",
"formula_reduced": "Zr2Al3C5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 5.23338174,
"spacegroup": 194
}
]
}