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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=905",
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"results": [
{
"id": "jvasp-38010",
"created_at": "2022-09-04T14:37:19.447521Z",
"updated_at": "2022-09-04T14:37:19.447539Z",
"structure_string": "Na2 Ag2 C4 O8\n1.0\n3.226403 -0.007494 -0.232036\n0.124194 5.508565 -0.071736\n0.185613 0.170060 10.614785\nNa Ag C O\n2 2 4 8\ndirect\n0.375288 0.437202 0.156230 Na\n0.624709 0.562798 0.843769 Na\n0.697234 0.939111 0.335863 Ag\n0.302763 0.060889 0.664137 Ag\n0.071621 0.428159 0.441334 C\n0.928376 0.571841 0.558666 C\n0.908371 0.948038 0.060978 C\n0.091626 0.051962 0.939022 C\n0.118187 0.901664 0.848582 O\n0.881810 0.098336 0.151418 O\n0.200803 0.269691 0.938903 O\n0.799193 0.730309 0.061097 O\n0.015712 0.484914 0.667242 O\n-0.015715 0.515085 0.332758 O\n0.727323 0.769874 0.536703 O\n0.272673 0.230125 0.463296 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
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"density": 3.8473605884860564,
"density_atomic": 0.08468445849762014,
"volume": 188.9366748498444,
"volume_molar": 7.111270316700717,
"formula_full": "Na2 Ag2 C4 O8",
"formula_reduced": "NaAg(CO2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.415225597008053,
"density_atomic": 0.07297724623529231,
"volume": 219.2464202939777,
"volume_molar": 8.25208002585284,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.568134895833333,
"spacegroup": 59
},
{
"id": "jvasp-9651",
"created_at": "2022-09-04T14:37:27.770675Z",
"updated_at": "2022-09-04T14:37:27.770695Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.192731 0.010641 0.029719\n-0.015786 5.154502 -0.172287\n-0.116000 -0.456184 12.552460\nMg Sn O\n2 4 10\ndirect\n0.250614 0.860541 0.734619 Mg\n0.750607 0.140335 0.265594 Mg\n0.750502 0.404680 0.891485 Sn\n0.250562 0.596193 0.108733 Sn\n0.250652 0.618375 0.399425 Sn\n0.750657 0.382509 0.600793 Sn\n0.250613 0.383444 0.252117 O\n0.750599 0.617438 0.748102 O\n0.250532 0.654274 0.942524 O\n0.750528 0.346596 0.057695 O\n0.250661 0.642183 0.568858 O\n0.750628 0.358704 0.431361 O\n0.250650 0.146464 0.628255 O\n-0.249326 0.854422 0.371962 O\n0.750591 0.836085 0.155122 O\n0.250471 0.164786 0.845095 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.499956757054342,
"density_atomic": 0.07754025500574259,
"volume": 206.34443359536345,
"volume_molar": 7.766470150960948,
"formula_full": "Mg2 Sn4 O10",
"formula_reduced": "MgSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.5042199937499998,
"spacegroup": 11
},
{
"id": "jvasp-59615",
"created_at": "2022-09-04T14:37:15.760508Z",
"updated_at": "2022-09-04T14:37:15.760526Z",
"structure_string": "Mn12 P4\n1.0\n4.192648 0.000000 1.488462\n2.096326 6.304891 0.744223\n-0.013036 0.000009 6.685801\nMn P\n12 4\ndirect\n0.341367 0.676073 0.616780 Mn\n0.041854 0.616780 0.323927 Mn\n0.982561 0.383220 0.676072 Mn\n0.634220 0.323927 0.383219 Mn\n0.930553 0.047184 0.607349 Mn\n0.462097 0.607350 0.952815 Mn\n0.022263 0.392650 0.047184 Mn\n0.585088 0.952816 0.392650 Mn\n0.132261 0.976879 0.186976 Mn\n0.680764 0.186977 0.023121 Mn\n0.890862 0.813023 0.976878 Mn\n0.296115 0.023121 0.813023 Mn\n0.203271 0.250347 0.330723 P\n0.466005 0.330723 0.749652 P\n0.546382 0.669277 0.250347 P\n0.784342 0.749653 0.669276 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 7.353176303180815,
"density_atomic": 0.09046905028282552,
"volume": 176.85606237691886,
"volume_molar": 6.65657563683216,
"formula_full": "Mn12 P4",
"formula_reduced": "Mn3P",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8342618060344815,
"spacegroup": 82
},
{
"id": "jvasp-58617",
"created_at": "2022-09-04T14:37:29.681123Z",
"updated_at": "2022-09-04T14:37:29.681144Z",
"structure_string": "Ca2 Ni4 O10\n1.0\n3.658714 -0.000000 -0.000000\n-1.829356 5.647666 0.000000\n0.000000 -0.000000 11.059971\nCa Ni O\n2 4 10\ndirect\n0.918045 0.836091 0.750000 Ca\n0.081955 0.163911 0.250000 Ca\n0.228948 0.457899 0.597913 Ni\n0.771050 0.542103 0.402085 Ni\n0.771050 0.542103 0.097914 Ni\n0.228948 0.457899 0.902086 Ni\n0.702861 0.405724 0.250000 O\n0.297139 0.594278 0.750000 O\n0.217616 0.435231 0.071539 O\n0.782384 0.564771 0.928461 O\n0.782384 0.564771 0.571539 O\n0.217616 0.435231 0.428460 O\n0.077913 0.155826 0.633598 O\n0.922086 0.844174 0.366401 O\n0.077913 0.155826 0.866401 O\n0.922086 0.844174 0.133599 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 3.4508127448516803,
"density_atomic": 0.0700113621410445,
"volume": 228.53433372381025,
"volume_molar": 8.601662038610002,
"formula_full": "Ca2 Ni4 O10",
"formula_reduced": "CaNi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.85360409,
"spacegroup": 63
},
{
"id": "jvasp-50533",
"created_at": "2022-09-04T14:37:14.671286Z",
"updated_at": "2022-09-04T14:37:14.671310Z",
"structure_string": "Li5 Ti3 O8\n1.0\n0.012230 4.157090 4.157090\n4.157090 0.012230 4.157090\n4.157090 4.157090 0.012230\nLi Ti O\n5 3 8\ndirect\n0.625000 0.125000 0.125000 Li\n0.125000 0.125000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.125000 0.625000 0.125000 Li\n0.625000 0.625000 0.625000 Li\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.125000 0.625000 0.625000 Ti\n0.379362 0.379362 0.379362 O\n0.852822 0.375432 0.375432 O\n0.375432 0.852822 0.375432 O\n0.874568 0.874568 0.397178 O\n0.874568 0.397178 0.874568 O\n0.375432 0.375432 0.852822 O\n0.397178 0.874568 0.874568 O\n0.870638 0.870638 0.870638 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.555660371328019,
"density_atomic": 0.11185166631167474,
"volume": 143.04659490200163,
"volume_molar": 5.384042060865951,
"formula_full": "Li5 Ti3 O8",
"formula_reduced": "Li5Ti3O8",
"formula_anonymous": "A3B5C8",
"energy_above_hull": 2.4929839375,
"spacegroup": 166
},
{
"id": "jvasp-10352",
"created_at": "2022-09-04T14:37:28.719258Z",
"updated_at": "2022-09-04T14:37:28.719281Z",
"structure_string": "Zn2 Cr4 O10\n1.0\n3.583366 0.000000 0.000000\n-1.791683 4.995542 -0.000000\n0.000000 0.000000 11.349427\nZn Cr O\n2 4 10\ndirect\n0.911723 0.823441 0.750000 Zn\n0.088280 0.176559 0.250000 Zn\n0.212884 0.425767 0.597412 Cr\n0.787119 0.574233 0.402588 Cr\n0.787119 0.574233 0.097413 Cr\n0.212884 0.425767 0.902589 Cr\n0.695589 0.391175 0.250000 O\n0.304414 0.608826 0.750000 O\n0.227906 0.455810 0.073898 O\n0.772098 0.544191 0.926102 O\n0.772098 0.544191 0.573898 O\n0.227906 0.455810 0.426101 O\n0.049485 0.098970 0.626378 O\n0.950516 0.901028 0.373622 O\n0.049485 0.098970 0.873622 O\n0.950516 0.901028 0.126379 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 4.076849586964018,
"density_atomic": 0.07875393512392505,
"volume": 203.16445108200418,
"volume_molar": 7.646780761524772,
"formula_full": "Zn2 Cr4 O10",
"formula_reduced": "ZnCr2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6979215875,
"spacegroup": 63
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
"formula_reduced": "AlBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07416877875,
"spacegroup": 14
},
{
"id": "jvasp-9538",
"created_at": "2022-09-04T14:37:27.872742Z",
"updated_at": "2022-09-04T14:37:27.872762Z",
"structure_string": "Mg4 V4 O8\n1.0\n2.875567 -0.001199 -0.003725\n-1.434097 8.503648 -0.462683\n-1.428981 -1.445485 8.030159\nMg V O\n4 4 8\ndirect\n0.589198 0.960628 0.218074 Mg\n0.434836 0.059452 0.810126 Mg\n0.269348 0.328518 0.210052 Mg\n0.754709 0.691575 0.818162 Mg\n0.161522 0.793730 0.529277 V\n0.388114 0.645428 0.130958 V\n0.635941 0.374648 0.897243 V\n0.862527 0.226351 0.498922 V\n0.445729 0.226556 0.664984 O\n0.207005 0.543683 0.870506 O\n0.817044 0.476403 0.157693 O\n0.578318 0.793521 0.363211 O\n0.803178 0.888574 0.717711 O\n0.941435 0.810994 0.072172 O\n0.220863 0.131507 0.310491 O\n0.082621 0.209090 0.956032 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.6648816705624867,
"density_atomic": 0.08231757772694305,
"volume": 194.36917899933664,
"volume_molar": 7.315740970872757,
"formula_full": "Mg4 V4 O8",
"formula_reduced": "MgVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5404775625,
"spacegroup": 12
},
{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.247776383187741,
"density_atomic": 0.08055974025839395,
"volume": 198.6103722365574,
"volume_molar": 7.475372612528404,
"formula_full": "Ca4 Mn4 O8",
"formula_reduced": "CaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.582003665344827,
"spacegroup": 11
},
{
"id": "jvasp-57567",
"created_at": "2022-09-04T14:37:20.086020Z",
"updated_at": "2022-09-04T14:37:20.086049Z",
"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"S",
"Br"
],
"chemical_system": "Ag-Br-Hg-S",
"density": 6.443407534798398,
"density_atomic": 0.03691778948841566,
"volume": 433.3953961414889,
"volume_molar": 16.312300501875043,
"formula_full": "Ag4 Hg4 S4 Br4",
"formula_reduced": "AgHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-57039",
"created_at": "2022-09-04T14:37:28.871554Z",
"updated_at": "2022-09-04T14:37:28.871571Z",
"structure_string": "K4 C4 O8\n1.0\n3.386135 0.000000 0.000000\n0.000000 6.140964 0.000000\n0.000000 0.000000 10.923067\nK C O\n4 4 8\ndirect\n0.499999 0.904567 0.849666 K\n0.499999 0.095432 0.150334 K\n0.499999 0.404567 0.650334 K\n0.499999 0.595432 0.349666 K\n0.000000 0.430747 0.938862 C\n0.000000 0.930747 0.561139 C\n0.000000 0.069253 0.438862 C\n0.000000 0.569252 0.061139 C\n0.000000 0.536079 0.838935 O\n0.000000 0.036080 0.661065 O\n0.000000 0.225746 0.950140 O\n0.000000 0.963920 0.338935 O\n0.000000 0.274254 0.450140 O\n0.000000 0.774253 0.049861 O\n0.000000 0.463920 0.161065 O\n0.000000 0.725746 0.549861 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.4303311704674595,
"density_atomic": 0.07044246824980767,
"volume": 227.1357094311312,
"volume_molar": 8.549020086354574,
"formula_full": "K4 C4 O8",
"formula_reduced": "KCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0580912499999995,
"spacegroup": 55
}
]
}