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=98",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=96",
"results": [
{
"id": "jvasp-95282",
"created_at": "2022-09-04T14:35:54.223000Z",
"updated_at": "2022-09-04T14:35:54.223020Z",
"structure_string": "Zr4 Ga2 P6 O24\n1.0\n-4.422181 -7.659440 0.000000\n-8.844359 -0.000000 0.000000\n-4.422181 -2.553147 -7.967631\nZr Ga P O\n4 2 6 24\ndirect\n0.351734 0.351733 0.944802 Zr\n0.851734 0.851733 0.444802 Zr\n0.648267 0.648267 0.055198 Zr\n0.148267 0.148266 0.555198 Zr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.037485 0.462515 0.750000 P\n0.462516 0.750000 0.750000 P\n0.750000 0.037484 0.750000 P\n0.537485 0.250000 0.250000 P\n0.250000 0.962515 0.250000 P\n0.962515 0.537485 0.250000 P\n0.578109 0.208134 0.781624 O\n0.291866 0.921891 0.718376 O\n0.791866 0.567868 0.218376 O\n0.567868 0.421891 0.218376 O\n0.421891 0.791866 0.218376 O\n0.078109 0.932132 0.281624 O\n0.932132 0.708134 0.281624 O\n0.708134 0.078109 0.281624 O\n0.208134 0.432132 0.781624 O\n0.432132 0.578109 0.781624 O\n0.233648 0.990703 0.406029 O\n0.766353 0.009297 0.593971 O\n0.369621 0.233648 0.406029 O\n0.869621 0.490702 0.906029 O\n0.490703 0.733648 0.906029 O\n0.733648 0.869621 0.906029 O\n0.067869 0.291866 0.718376 O\n0.009298 0.630379 0.593971 O\n0.630379 0.766352 0.593971 O\n0.130379 0.509297 0.093971 O\n0.509297 0.266352 0.093971 O\n0.266352 0.130379 0.093971 O\n0.990703 0.369621 0.406029 O\n0.921891 0.067868 0.718376 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Zr",
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P-Zr",
"density": 3.3046813705477347,
"density_atomic": 0.06669755394600198,
"volume": 539.7499288976238,
"volume_molar": 9.029027908393006,
"formula_full": "Zr4 Ga2 P6 O24",
"formula_reduced": "Zr2Ga(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 3.0645155458333337,
"spacegroup": 167
},
{
"id": "jvasp-99115",
"created_at": "2022-09-04T14:35:59.389617Z",
"updated_at": "2022-09-04T14:35:59.389644Z",
"structure_string": "Na8 Si8 O20\n1.0\n4.862275 -0.018960 0.000000\n-0.087308 8.434243 0.000000\n0.000000 0.000000 12.004751\nNa Si O\n8 8 20\ndirect\n0.758679 0.367618 0.998917 Na\n0.231307 0.116892 0.958754 Na\n0.258680 0.867618 0.501083 Na\n0.741319 0.132382 0.498917 Na\n0.731306 0.616892 0.541246 Na\n0.268693 0.383108 0.458754 Na\n0.241319 0.632382 0.001083 Na\n0.768692 0.883108 0.041246 Na\n0.692254 0.045616 0.799689 Si\n0.195726 0.173406 0.676071 Si\n0.804273 0.826594 0.323929 Si\n0.304274 0.326594 0.176071 Si\n0.307744 0.954384 0.200311 Si\n0.807744 0.454384 0.299689 Si\n0.695725 0.673406 0.823929 Si\n0.192255 0.545616 0.700311 Si\n0.638967 0.937054 0.232161 O\n0.863153 0.138779 0.699371 O\n0.138967 0.437054 0.267839 O\n0.765295 0.856944 0.786342 O\n0.363154 0.638779 0.800629 O\n0.234703 0.143056 0.213658 O\n0.248828 0.609477 0.576396 O\n0.751170 0.390523 0.423604 O\n0.251171 0.890523 0.076396 O\n0.738674 0.862126 0.452051 O\n0.861031 0.562946 0.732161 O\n0.265296 0.356944 0.713657 O\n0.748828 0.109477 0.923604 O\n0.361032 0.062946 0.767839 O\n0.261325 0.137874 0.547949 O\n0.761324 0.637874 0.952051 O\n0.238675 0.362126 0.047949 O\n0.136845 0.861220 0.300629 O\n0.734702 0.643056 0.286342 O\n0.636845 0.361220 0.199371 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.457599684101966,
"density_atomic": 0.07312758775858874,
"volume": 492.29027106492856,
"volume_molar": 8.235114742032097,
"formula_full": "Na8 Si8 O20",
"formula_reduced": "Na2Si2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.9276980777777772,
"spacegroup": 14
},
{
"id": "jvasp-96743",
"created_at": "2022-09-04T14:36:08.953136Z",
"updated_at": "2022-09-04T14:36:08.953159Z",
"structure_string": "Nb8 Zn4 O24\n1.0\n5.085971 0.000000 0.000000\n0.000000 5.807221 0.000000\n0.000000 0.000000 14.358224\nNb Zn O\n8 4 24\ndirect\n0.250864 0.316187 0.659806 Nb\n0.749136 0.683813 0.340193 Nb\n0.249136 0.816187 0.159806 Nb\n0.750864 0.683813 0.659806 Nb\n0.750864 0.183813 0.840193 Nb\n0.749136 0.183813 0.159806 Nb\n0.249136 0.316187 0.340193 Nb\n0.250864 0.816187 0.840193 Nb\n0.750000 0.171430 0.500000 Zn\n0.250000 0.828570 0.500000 Zn\n0.750000 0.671430 0.000000 Zn\n0.250000 0.328570 0.000000 Zn\n0.425548 0.105100 0.904935 O\n0.086055 0.615367 0.079280 O\n0.586055 0.884632 0.420720 O\n0.413945 0.615367 0.920719 O\n0.913945 0.884632 0.579280 O\n0.925547 0.394899 0.595065 O\n0.920777 0.378075 0.255560 O\n0.074452 0.605100 0.404935 O\n0.420777 0.121925 0.244440 O\n0.579223 0.378075 0.744439 O\n0.079223 0.121925 0.755560 O\n0.079223 0.621925 0.744439 O\n0.579223 0.878075 0.755560 O\n0.420777 0.621925 0.255560 O\n0.074452 0.105100 0.095065 O\n0.920777 0.878075 0.244440 O\n0.413945 0.115367 0.579280 O\n0.586055 0.384632 0.079280 O\n0.086055 0.115367 0.420720 O\n0.925547 0.894899 0.904935 O\n0.425548 0.605100 0.595065 O\n0.574452 0.894899 0.095065 O\n0.913945 0.384632 0.920719 O\n0.574452 0.394899 0.404935 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"O"
],
"chemical_system": "Nb-O-Zn",
"density": 5.438367630539837,
"density_atomic": 0.08489058823522029,
"volume": 424.0752802919552,
"volume_molar": 7.094002863207246,
"formula_full": "Nb8 Zn4 O24",
"formula_reduced": "Nb2ZnO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.860865577777778,
"spacegroup": 60
},
{
"id": "jvasp-103790",
"created_at": "2022-09-04T14:36:39.746741Z",
"updated_at": "2022-09-04T14:36:39.746767Z",
"structure_string": "H16 C18 O2\n1.0\n4.434753 0.070803 -0.861560\n-0.443687 6.523251 -0.910659\n-0.128493 0.032788 10.885712\nH C O\n16 18 2\ndirect\n0.894418 0.251249 0.802505 H\n0.483257 0.937084 0.181114 H\n0.483258 0.437086 0.681114 H\n0.044398 0.256510 0.605540 H\n0.634581 0.437615 0.486248 H\n0.634581 0.937615 0.986249 H\n0.642952 0.919834 0.668436 H\n0.642952 0.419833 0.168436 H\n0.044396 0.756509 0.105541 H\n0.172431 0.406898 0.318532 H\n0.106655 0.693976 0.696109 H\n0.106655 0.193975 0.196109 H\n0.375974 0.103673 0.695619 H\n0.375973 0.603672 0.195619 H\n0.894417 0.751248 0.302506 H\n0.172432 0.906899 0.818533 H\n0.528148 0.697683 0.826755 C\n0.606310 0.004976 0.274966 C\n0.606311 0.504977 0.774966 C\n0.836451 0.902330 0.341165 C\n0.836452 0.402331 0.841165 C\n0.401040 0.942108 0.663464 C\n0.401040 0.442107 0.163464 C\n0.528148 0.197682 0.326755 C\n0.998946 0.989735 0.461533 C\n0.279496 0.807795 0.752972 C\n0.691087 0.286537 0.446288 C\n0.691087 0.786537 0.946288 C\n0.922549 0.183489 0.512920 C\n0.922548 0.683489 0.012920 C\n0.243925 0.872207 0.526977 C\n0.243925 0.372207 0.026977 C\n0.279496 0.307794 0.252972 C\n0.998946 0.489736 0.961533 C\n0.315756 0.209460 0.972271 O\n0.315754 0.709460 0.472271 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3947593874586293,
"density_atomic": 0.11439979177327043,
"volume": 314.68588746515024,
"volume_molar": 5.2641186375018165,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391382416666666,
"spacegroup": 1
},
{
"id": "jvasp-87243",
"created_at": "2022-09-04T14:35:59.234541Z",
"updated_at": "2022-09-04T14:35:59.234560Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n7.578758 0.000000 0.000000\n0.000000 8.217208 -2.901227\n-0.000000 0.033918 8.714269\nSr B Br O\n10 6 2 18\ndirect\n0.500000 0.757410 0.757409 Sr\n0.571114 0.266508 0.006657 Sr\n0.750000 0.363055 0.636945 Sr\n0.750000 0.635891 0.364109 Sr\n0.071114 0.733492 0.993343 Sr\n0.000000 0.242591 0.242590 Sr\n0.928886 0.993343 0.733492 Sr\n0.250000 0.636945 0.363055 Sr\n0.250000 0.364110 0.635891 Sr\n0.428886 0.006657 0.266508 Sr\n0.500000 0.372059 0.372059 B\n0.000000 0.627942 0.627941 B\n0.472277 0.593395 0.016180 B\n0.527724 0.016181 0.593395 B\n0.972277 0.406606 0.983820 B\n0.027723 0.983820 0.406605 B\n0.750000 0.938279 0.061721 Br\n0.250000 0.061722 0.938279 Br\n0.838990 0.694348 0.691486 O\n0.013425 0.516504 0.138191 O\n0.384490 0.735972 0.029409 O\n0.338990 0.305653 0.308514 O\n0.884490 0.264028 0.970591 O\n0.661011 0.308514 0.305652 O\n0.014026 0.442687 0.844475 O\n0.115511 0.970591 0.264028 O\n0.500000 0.510578 0.510578 O\n0.514026 0.557314 0.155524 O\n0.485974 0.155525 0.557314 O\n0.513425 0.483496 0.861809 O\n0.486575 0.861810 0.483496 O\n0.986576 0.138191 0.516504 O\n0.161011 0.691486 0.694348 O\n0.000000 0.489423 0.489422 O\n0.985974 0.844476 0.442686 O\n0.615511 0.029410 0.735972 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-O-Sr",
"density": 4.243838801148533,
"density_atomic": 0.06624495535309238,
"volume": 543.4376068051721,
"volume_molar": 9.090716006828558,
"formula_full": "Sr10 B6 Br2 O18",
"formula_reduced": "Sr5B3BrO9",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.082214161388889,
"spacegroup": 20
},
{
"id": "jvasp-97711",
"created_at": "2022-09-04T14:35:58.308898Z",
"updated_at": "2022-09-04T14:35:58.308925Z",
"structure_string": "Ba4 Tm8 Co4 O20\n1.0\n5.671837 -0.000000 0.000000\n0.000000 6.979486 0.000000\n0.000000 0.000000 12.168339\nBa Tm Co O\n4 8 4 20\ndirect\n0.250000 0.920509 0.900621 Ba\n0.750000 0.079491 0.099379 Ba\n0.750000 0.420509 0.599379 Ba\n0.250000 0.579492 0.400621 Ba\n0.250000 0.121173 0.291604 Tm\n0.750000 0.878827 0.708396 Tm\n0.750000 0.621174 0.208396 Tm\n0.250000 0.378827 0.791604 Tm\n0.250000 0.403571 0.075090 Tm\n0.750000 0.596430 0.924910 Tm\n0.750000 0.903571 0.424910 Tm\n0.250000 0.096429 0.575090 Tm\n0.250000 0.806365 0.153571 Co\n0.750000 0.193636 0.846429 Co\n0.250000 0.693636 0.653571 Co\n0.750000 0.306365 0.346429 Co\n0.500971 0.865066 0.275128 O\n0.750000 0.921558 0.895563 O\n0.250000 0.078443 0.104437 O\n0.999029 0.865066 0.275128 O\n0.499029 0.134935 0.724872 O\n0.000971 0.365066 0.224872 O\n0.500971 0.634935 0.775128 O\n0.000971 0.134935 0.724872 O\n0.999029 0.634935 0.775128 O\n0.497489 0.831639 0.564317 O\n0.497489 0.668362 0.064316 O\n0.997489 0.331639 0.935684 O\n0.502511 0.168361 0.435684 O\n0.002511 0.831639 0.564317 O\n0.502511 0.331639 0.935684 O\n0.002511 0.668362 0.064316 O\n0.750000 0.578443 0.395563 O\n0.997489 0.168361 0.435684 O\n0.499029 0.365066 0.224872 O\n0.250000 0.421558 0.604437 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Tm",
"density": 8.46813589171176,
"density_atomic": 0.07473499651872953,
"volume": 481.7020362204466,
"volume_molar": 8.057992962494854,
"formula_full": "Ba4 Tm8 Co4 O20",
"formula_reduced": "BaTm2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.004526985555556,
"spacegroup": 62
},
{
"id": "jvasp-23038",
"created_at": "2022-09-04T14:38:29.590786Z",
"updated_at": "2022-09-04T14:38:29.590795Z",
"structure_string": "K8 Cd12 S16\n1.0\n6.702837 -0.000000 0.000000\n-0.000000 10.233200 0.000000\n0.000000 0.000000 13.794318\nK Cd S\n8 12 16\ndirect\n0.016629 0.250000 0.532083 K\n0.516629 0.750000 0.967918 K\n0.983372 0.750000 0.467917 K\n0.483372 0.250000 0.032083 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.784274 0.250000 0.797312 Cd\n0.284274 0.750000 0.702689 Cd\n0.715726 0.250000 0.297312 Cd\n0.840537 0.590941 0.750602 Cd\n0.340537 0.409059 0.749399 Cd\n0.215726 0.750000 0.202688 Cd\n0.659464 0.909059 0.250601 Cd\n0.159464 0.409059 0.249399 Cd\n0.659464 0.590941 0.250601 Cd\n0.840537 0.909059 0.750602 Cd\n0.340537 0.090941 0.749399 Cd\n0.159464 0.090941 0.249399 Cd\n0.636160 0.750000 0.640840 S\n0.863841 0.750000 0.140840 S\n0.575045 0.250000 0.641626 S\n0.075045 0.750000 0.858374 S\n0.424955 0.750000 0.358374 S\n0.924956 0.250000 0.141626 S\n0.120130 0.530723 0.632073 S\n0.379870 0.969277 0.132072 S\n0.879870 0.030723 0.367928 S\n0.879870 0.469277 0.367928 S\n0.379870 0.530723 0.132072 S\n0.120130 0.969277 0.632073 S\n0.620131 0.030723 0.867928 S\n0.136160 0.250000 0.859160 S\n0.620131 0.469277 0.867928 S\n0.363841 0.250000 0.359160 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Cd",
"S"
],
"chemical_system": "Cd-K-S",
"density": 3.816715252186041,
"density_atomic": 0.038048027491608565,
"volume": 946.1725711783547,
"volume_molar": 15.827734463575476,
"formula_full": "K8 Cd12 S16",
"formula_reduced": "K2Cd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-96800",
"created_at": "2022-09-04T14:35:49.356816Z",
"updated_at": "2022-09-04T14:35:49.356843Z",
"structure_string": "Li2 Y2 P8 O24\n1.0\n6.451361 -0.000000 2.786838\n2.222067 7.728367 3.716724\n-0.010537 0.013118 8.885066\nLi Y P O\n2 2 8 24\ndirect\n0.205712 0.750000 0.250000 Li\n0.794287 0.250000 0.750000 Li\n0.701941 0.750000 0.250000 Y\n0.298058 0.250000 0.750000 Y\n0.495725 0.802847 0.903514 P\n0.504274 0.197153 0.096486 P\n0.191472 0.385752 0.340281 P\n0.808528 0.614249 0.659719 P\n0.082496 0.885752 0.840281 P\n0.917504 0.114248 0.159719 P\n0.202086 0.697154 0.596486 P\n0.797914 0.302847 0.403514 P\n0.334174 0.317304 0.456057 O\n0.892464 0.817305 0.956057 O\n0.254051 0.527077 0.731809 O\n0.665825 0.682696 0.543943 O\n0.343907 0.724765 0.414948 O\n0.034773 0.263904 0.420900 O\n0.939567 0.925621 0.200944 O\n0.323642 0.356190 0.155549 O\n0.512937 0.972924 0.768191 O\n0.965226 0.736097 0.579100 O\n0.280423 0.763905 0.920900 O\n0.066132 0.574380 0.299056 O\n0.487063 0.027077 0.231809 O\n0.745949 0.472923 0.268191 O\n0.060433 0.074380 0.799056 O\n0.719577 0.236096 0.079100 O\n0.835380 0.143810 0.344452 O\n0.516379 0.224765 0.914949 O\n0.164619 0.856191 0.655549 O\n0.483620 0.775236 0.085051 O\n0.676358 0.643810 0.844451 O\n0.933868 0.425621 0.700944 O\n0.107536 0.182696 0.043943 O\n0.656092 0.275236 0.585052 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Y",
"P",
"O"
],
"chemical_system": "Li-O-P-Y",
"density": 3.086761406631318,
"density_atomic": 0.08126602203792886,
"volume": 442.98956805339765,
"volume_molar": 7.41040426119211,
"formula_full": "Li2 Y2 P8 O24",
"formula_reduced": "LiY(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.960383858333333,
"spacegroup": 15
},
{
"id": "jvasp-61264",
"created_at": "2022-09-04T14:35:57.621291Z",
"updated_at": "2022-09-04T14:35:57.621324Z",
"structure_string": "Na2 Fe2 B2 P4 H6 O20\n1.0\n4.015786 5.205651 -0.022737\n-4.015786 5.205651 -0.022737\n0.000000 4.089496 8.005314\nNa Fe B P H O\n2 2 2 4 6 20\ndirect\n0.860885 0.139116 0.749999 Na\n0.139116 0.860884 0.249999 Na\n-0.000000 0.500000 -0.000000 Fe\n0.500001 0.000000 0.500000 Fe\n0.535862 0.464139 0.249999 B\n0.464139 0.535862 0.749999 B\n0.713253 0.840974 0.181826 P\n0.159026 0.286748 0.318173 P\n0.840974 0.713253 0.681825 P\n0.286748 0.159027 0.818173 P\n0.000000 0.500001 0.500000 H\n0.304530 0.687107 0.564853 H\n0.687106 0.304530 0.064854 H\n0.695470 0.312894 0.435145 H\n0.312894 0.695471 0.935145 H\n0.500000 -0.000000 -0.000000 H\n0.429400 0.702082 0.595702 O\n0.297918 0.570601 0.904296 O\n0.570600 0.297918 0.404297 O\n0.702082 0.429400 0.095702 O\n0.269772 0.079041 0.682568 O\n0.920960 0.730229 0.817430 O\n0.730229 0.920960 0.317430 O\n0.079040 0.269771 0.182569 O\n0.057423 0.280668 0.886147 O\n0.280668 0.057423 0.386147 O\n0.942577 0.719332 0.113852 O\n0.637390 0.038464 0.044204 O\n0.961536 0.362611 0.455795 O\n0.038464 0.637390 0.544204 O\n0.465005 0.315971 0.744214 O\n0.684030 0.534996 0.755784 O\n0.534996 0.684030 0.255784 O\n0.315971 0.465005 0.244215 O\n0.719333 0.942578 0.613852 O\n0.362611 0.961537 0.955795 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Na",
"Fe",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-P",
"density": 3.114807650840284,
"density_atomic": 0.10731997946382703,
"volume": 335.44546113274333,
"volume_molar": 5.611388289568026,
"formula_full": "Na2 Fe2 B2 P4 H6 O20",
"formula_reduced": "NaFeBP2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy_above_hull": 3.0355923935185185,
"spacegroup": 15
},
{
"id": "jvasp-97340",
"created_at": "2022-09-04T14:38:15.435742Z",
"updated_at": "2022-09-04T14:38:15.435767Z",
"structure_string": "Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"P",
"O"
],
"chemical_system": "O-P-Rb-Sm",
"density": 3.76229172457434,
"density_atomic": 0.07391976425529861,
"volume": 487.0145401934165,
"volume_molar": 8.14686142558731,
"formula_full": "Rb2 Sm2 P8 O24",
"formula_reduced": "RbSm(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.7501073819444444,
"spacegroup": 15
},
{
"id": "jvasp-20995",
"created_at": "2022-09-04T14:38:39.037076Z",
"updated_at": "2022-09-04T14:38:39.037087Z",
"structure_string": "Ba4 N8 O24\n1.0\n8.147903 -0.000000 0.000000\n-0.000000 8.147903 -0.000000\n0.000000 -0.000000 8.147903\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.850187 0.149812 0.649812 N\n0.149812 0.649812 0.850187 N\n0.649812 0.649812 0.649812 N\n0.649812 0.850187 0.149812 N\n0.149812 0.850187 0.350187 N\n0.350187 0.149812 0.850187 N\n0.350187 0.350187 0.350187 N\n0.850187 0.350187 0.149812 N\n0.788848 0.022714 0.715728 O\n0.288849 0.022714 0.784272 O\n0.022714 0.784272 0.288849 O\n0.788848 0.477286 0.215728 O\n0.711151 0.522714 0.715728 O\n0.522714 0.715728 0.711151 O\n0.715728 0.711151 0.522714 O\n0.215728 0.711151 0.977286 O\n0.715728 0.788848 0.022714 O\n0.784272 0.211151 0.522714 O\n0.522714 0.784272 0.211151 O\n0.477286 0.284272 0.288849 O\n0.711151 0.977286 0.215728 O\n0.977286 0.215728 0.711151 O\n0.211151 0.522714 0.784272 O\n0.288849 0.477286 0.284272 O\n0.977286 0.284272 0.211151 O\n0.284272 0.288849 0.477286 O\n0.284272 0.211151 0.977286 O\n0.215728 0.788848 0.477286 O\n0.211151 0.977286 0.284272 O\n0.784272 0.288849 0.022714 O\n0.022714 0.715728 0.788848 O\n0.477286 0.215728 0.788848 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.2090176619516333,
"density_atomic": 0.06655258831304844,
"volume": 540.9256185599286,
"volume_molar": 9.048695043494329,
"formula_full": "Ba4 N8 O24",
"formula_reduced": "Ba(NO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.095835941111111,
"spacegroup": 205
},
{
"id": "jvasp-95489",
"created_at": "2022-09-04T14:35:57.645710Z",
"updated_at": "2022-09-04T14:35:57.645733Z",
"structure_string": "Na2 V12 O22\n1.0\n5.674403 0.000000 -0.000000\n-2.837201 4.914177 0.000000\n0.000000 -0.000000 13.642592\nNa V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.500000 0.000000 0.500000 V\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.850709 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.649290 V\n0.000000 0.000000 0.149290 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.350709 V\n0.333333 0.666667 0.599282 O\n0.333333 0.666667 0.900718 O\n0.330737 0.165368 0.574529 O\n0.834632 0.669263 0.925470 O\n0.669263 0.834632 0.074529 O\n0.666667 0.333333 0.099282 O\n0.834631 0.165368 0.574529 O\n0.165369 0.834632 0.425470 O\n0.165368 0.330738 0.425470 O\n0.866844 0.133156 0.750000 O\n0.266311 0.133156 0.750000 O\n0.834632 0.669263 0.574529 O\n0.165368 0.330738 0.074529 O\n0.330737 0.165368 0.925470 O\n0.133156 0.266311 0.250000 O\n0.133156 0.866845 0.250000 O\n0.666667 0.333333 0.400718 O\n0.733689 0.866845 0.250000 O\n0.165369 0.834632 0.074529 O\n0.669263 0.834632 0.425470 O\n0.834631 0.165368 0.925470 O\n0.866844 0.733689 0.750000 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 4.405408272935972,
"density_atomic": 0.09463126338029008,
"volume": 380.4239604762386,
"volume_molar": 6.363796217957182,
"formula_full": "Na2 V12 O22",
"formula_reduced": "NaV6O11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.5116762611111114,
"spacegroup": 194
}
]
}