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=4370",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4368",
"results": [
{
"id": "jvasp-43076",
"created_at": "2022-09-04T14:36:18.967258Z",
"updated_at": "2022-09-04T14:36:18.967283Z",
"structure_string": "Na5 Li3 Ti5 O14\n1.0\n5.213102 -0.002039 0.015519\n-0.895718 6.948682 0.015623\n-1.609261 -0.240980 8.028272\nNa Li Ti O\n5 3 5 14\ndirect\n0.513638 0.998662 0.496640 Na\n0.912548 0.844748 0.346496 Na\n0.647116 0.307179 0.812373 Na\n0.074313 0.135227 0.640885 Na\n0.357631 0.710046 0.210900 Na\n0.174154 0.467468 0.915501 Li\n0.857475 0.709936 0.712554 Li\n0.567934 0.152453 0.140340 Li\n0.126241 0.281501 0.265795 Ti\n0.699296 0.425160 0.427132 Ti\n0.452792 0.857627 0.867363 Ti\n0.013625 0.987173 0.994441 Ti\n0.276059 0.577526 0.584133 Ti\n0.041879 0.535828 0.351622 O\n0.463047 0.402796 0.216145 O\n0.833728 0.177771 0.375658 O\n0.405810 0.310297 0.522848 O\n0.682218 0.882682 0.075260 O\n0.600054 0.673203 0.479338 O\n0.124521 0.748091 0.952312 O\n0.969829 0.448027 0.658210 O\n0.486488 0.592887 0.804700 O\n0.205654 0.827240 0.619798 O\n0.752480 0.979851 0.780204 O\n0.945907 0.269408 0.049607 O\n0.310851 0.100603 0.900835 O\n0.219160 0.024917 0.227823 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ti",
"O"
],
"chemical_system": "Li-Na-O-Ti",
"density": 3.418652780430722,
"density_atomic": 0.09278365289910608,
"volume": 290.9995366248415,
"volume_molar": 6.4905191505539666,
"formula_full": "Na5 Li3 Ti5 O14",
"formula_reduced": "Na5Li3Ti5O14",
"formula_anonymous": "A3B5C5D14",
"energy_above_hull": 2.338889839506173,
"spacegroup": 1
},
{
"id": "jvasp-62535",
"created_at": "2022-09-04T14:36:10.982438Z",
"updated_at": "2022-09-04T14:36:10.982460Z",
"structure_string": "Tb10 B2 Br15\n1.0\n8.959075 -0.008841 0.000092\n-3.459518 9.088318 0.005814\n-4.379009 -1.895159 9.392372\nTb B Br\n10 2 15\ndirect\n0.275094 0.924338 0.950473 Tb\n0.801544 0.411473 0.279987 Tb\n0.674888 0.743523 0.819693 Tb\n0.325111 0.256477 0.180306 Tb\n0.525020 0.701587 0.096606 Tb\n0.198454 0.588527 0.720012 Tb\n0.584016 0.038123 0.325717 Tb\n0.415983 0.961877 0.674282 Tb\n0.724905 0.075662 0.049526 Tb\n0.474979 0.298413 0.903394 Tb\n0.532573 0.181780 0.123800 B\n0.467425 0.818220 0.876200 B\n0.717897 0.243622 0.819958 Br\n0.356615 0.116464 0.418168 Br\n0.885973 0.295833 0.534421 Br\n0.114026 0.704167 0.465578 Br\n0.282102 0.756378 0.180041 Br\n0.062490 0.348107 0.232564 Br\n0.841855 0.942396 0.301516 Br\n0.594524 0.541865 0.350937 Br\n0.405475 0.458135 0.649062 Br\n0.777181 0.592730 0.059227 Br\n0.222818 0.407270 0.940772 Br\n0.643384 0.883536 0.581831 Br\n0.158144 0.057604 0.698483 Br\n0.937509 0.651893 0.767435 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 6.101698340968513,
"density_atomic": 0.03531395292829714,
"volume": 764.5703117637913,
"volume_molar": 17.053148290217166,
"formula_full": "Tb10 B2 Br15",
"formula_reduced": "Tb10B2Br15",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 0.9840855830246912,
"spacegroup": 2
},
{
"id": "jvasp-52555",
"created_at": "2022-09-04T14:36:10.811044Z",
"updated_at": "2022-09-04T14:36:10.811073Z",
"structure_string": "Sr3 Ca6 I18\n1.0\n13.628171 -0.000000 -0.000000\n-6.814085 11.802130 0.000124\n-0.000000 0.000069 7.062544\nSr Ca I\n3 6 18\ndirect\n0.333327 0.666664 0.495995 Sr\n-0.000001 -0.000000 -0.000000 Sr\n0.666663 0.333336 0.504004 Sr\n0.676131 0.676133 0.500001 Ca\n0.323859 0.000000 0.500000 Ca\n0.657520 0.000000 0.000000 Ca\n-0.000002 0.323867 0.499998 Ca\n-0.000002 0.657527 0.000000 Ca\n0.342471 0.342473 -0.000001 Ca\n0.771523 0.897116 0.742874 I\n0.785870 0.224037 0.761264 I\n0.897110 0.771527 0.257122 I\n0.775958 0.561836 0.761257 I\n0.542469 0.105304 0.246226 I\n0.562829 0.457527 0.246229 I\n0.438163 0.214124 0.761260 I\n0.457525 0.562836 0.753778 I\n0.214121 0.438164 0.238742 I\n0.561833 0.775963 0.238735 I\n0.125583 0.228473 0.742877 I\n0.894689 0.437164 0.246221 I\n0.437166 0.894696 0.753772 I\n0.105302 0.542473 0.753769 I\n0.224038 0.785876 0.238739 I\n0.102882 0.874412 0.742877 I\n0.228469 0.125588 0.257122 I\n0.874407 0.102884 0.257125 I\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.074944860700705,
"density_atomic": 0.02376865622725169,
"volume": 1135.949787899387,
"volume_molar": 25.336479700082418,
"formula_full": "Sr3 Ca6 I18",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0012055555555555,
"spacegroup": 150
},
{
"id": "jvasp-49181",
"created_at": "2022-09-04T14:37:11.619452Z",
"updated_at": "2022-09-04T14:37:11.619465Z",
"structure_string": "Ca4 Al6 S1 O16\n1.0\n7.463252 -0.000000 -2.638658\n-3.731626 6.463366 -2.638658\n0.000000 0.000000 7.915974\nCa Al S O\n4 6 1 16\ndirect\n0.372558 0.372558 0.372558 Ca\n0.627442 0.000000 -0.000000 Ca\n-0.000000 -0.000000 0.627441 Ca\n-0.000000 0.627442 -0.000000 Ca\n0.500000 0.250002 0.750002 Al\n0.249998 0.500000 0.749997 Al\n0.250002 0.750003 0.500000 Al\n0.750002 0.500000 0.250002 Al\n0.500000 0.749998 0.249998 Al\n0.749998 0.249998 0.499999 Al\n0.000000 0.000000 0.000000 S\n0.572683 0.291440 0.572683 O\n0.187957 0.000000 -0.000000 O\n0.427316 0.000001 0.718756 O\n0.812043 0.812044 0.812042 O\n-0.000001 0.427316 0.718755 O\n0.281244 0.281244 0.708560 O\n0.000000 0.718757 0.427316 O\n0.427316 0.718756 -0.000001 O\n0.708560 0.281244 0.281244 O\n0.718756 0.427317 0.000000 O\n0.572684 0.572684 0.291439 O\n0.291440 0.572684 0.572683 O\n0.718756 -0.000001 0.427316 O\n0.281244 0.708561 0.281243 O\n-0.000000 0.187957 -0.000000 O\n-0.000000 -0.000000 0.187957 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ca",
"Al",
"S",
"O"
],
"chemical_system": "Al-Ca-O-S",
"density": 2.653813448296388,
"density_atomic": 0.07070865067064813,
"volume": 381.84861037389265,
"volume_molar": 8.516837335859176,
"formula_full": "Ca4 Al6 S1 O16",
"formula_reduced": "Ca4Al6SO16",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.205003499259259,
"spacegroup": 217
},
{
"id": "jvasp-49213",
"created_at": "2022-09-04T14:38:09.197421Z",
"updated_at": "2022-09-04T14:38:09.197438Z",
"structure_string": "Li16 Ta2 N8 O1\n1.0\n5.619302 -0.002712 7.164945\n2.472608 5.046064 7.164945\n-0.004352 -0.002712 9.105655\nLi Ta N O\n16 2 8 1\ndirect\n0.582498 0.582497 0.582497 Li\n0.825396 0.167276 0.581429 Li\n0.167277 0.581430 0.825396 Li\n0.174604 0.832724 0.418570 Li\n0.832724 0.418570 0.174603 Li\n0.581430 0.825396 0.167275 Li\n0.058867 0.329687 0.682632 Li\n0.682632 0.058867 0.329686 Li\n0.418570 0.174604 0.832724 Li\n0.941134 0.670313 0.317367 Li\n0.317368 0.941133 0.670313 Li\n0.670314 0.317368 0.941133 Li\n0.077676 0.077676 0.077676 Li\n0.329687 0.682632 0.058866 Li\n0.922325 0.922324 0.922323 Li\n0.417503 0.417503 0.417502 Li\n0.249423 0.249422 0.249422 Ta\n0.750578 0.750577 0.750577 Ta\n0.327084 0.327084 0.327083 N\n0.774951 0.089170 0.462527 N\n0.089170 0.462528 0.774951 N\n0.910831 0.537472 0.225048 N\n0.225050 0.910830 0.537472 N\n0.537472 0.225050 0.910830 N\n0.462528 0.774950 0.089169 N\n0.672917 0.672916 0.672916 N\n0.000000 0.000000 0.000000 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Ta",
"N",
"O"
],
"chemical_system": "Li-N-O-Ta",
"density": 3.86109588042537,
"density_atomic": 0.10445935535867541,
"volume": 258.4737375344872,
"volume_molar": 5.765056408133249,
"formula_full": "Li16 Ta2 N8 O1",
"formula_reduced": "Li16Ta2N8O",
"formula_anonymous": "AB2C8D16",
"energy_above_hull": 3.1972162185185184,
"spacegroup": 148
},
{
"id": "jvasp-33801",
"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Sb",
"H",
"Pt",
"O",
"F"
],
"chemical_system": "F-H-O-Pt-Sb",
"density": 4.0528653056981225,
"density_atomic": 0.0892155405771816,
"volume": 302.6378568725022,
"volume_molar": 6.750102864410895,
"formula_full": "Sb2 H8 Pt1 O4 F12",
"formula_reduced": "Sb2H8Pt(OF3)4",
"formula_anonymous": "AB2C4D8E12",
"energy_above_hull": 1.5654163329629631,
"spacegroup": 2
},
{
"id": "jvasp-31338",
"created_at": "2022-09-04T14:38:08.625565Z",
"updated_at": "2022-09-04T14:38:08.625591Z",
"structure_string": "In6 Te3 O18\n1.0\n4.515111 -7.820402 -0.000000\n4.515111 7.820402 0.000000\n-0.000000 -0.000000 4.871264\nIn Te O\n6 3 18\ndirect\n0.000000 0.630145 0.000000 In\n0.369855 0.369855 0.000000 In\n0.630145 0.000000 0.000000 In\n0.000000 0.293530 0.500000 In\n0.706470 0.706470 0.500000 In\n0.293530 0.000000 0.500000 In\n0.333333 0.666667 0.509039 Te\n0.666667 0.333333 0.490960 Te\n0.000000 0.000000 0.000000 Te\n0.589484 0.461416 0.265637 O\n0.761393 0.220827 0.716260 O\n0.220827 0.761393 0.283739 O\n0.540566 0.779173 0.283739 O\n0.238607 0.459434 0.283739 O\n0.538583 0.128068 0.265637 O\n0.871931 0.410516 0.265637 O\n0.461416 0.589484 0.734362 O\n0.206231 0.120471 0.221149 O\n0.410516 0.871931 0.734362 O\n0.914239 0.793769 0.221149 O\n0.459434 0.238607 0.716260 O\n0.879529 0.085761 0.221149 O\n0.085761 0.879529 0.778850 O\n0.793769 0.914239 0.778850 O\n0.120471 0.206231 0.778850 O\n0.128068 0.538583 0.734362 O\n0.779173 0.540566 0.716260 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"In",
"Te",
"O"
],
"chemical_system": "In-O-Te",
"density": 6.563298075624697,
"density_atomic": 0.07848643298099887,
"volume": 344.00849897888145,
"volume_molar": 7.672842975878297,
"formula_full": "In6 Te3 O18",
"formula_reduced": "In2TeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7275987451851853,
"spacegroup": 150
},
{
"id": "jvasp-44349",
"created_at": "2022-09-04T14:38:09.395094Z",
"updated_at": "2022-09-04T14:38:09.395114Z",
"structure_string": "Tm6 Te3 O18\n1.0\n9.037256 -0.000067 0.000082\n-4.518685 7.826506 -0.000050\n0.000047 -0.000007 5.111164\nTm Te O\n6 3 18\ndirect\n-0.000002 0.620486 -0.000001 Tm\n-0.000005 0.283748 0.500005 Tm\n0.379517 0.379518 0.000001 Tm\n0.283747 -0.000003 0.499988 Tm\n0.716249 0.716250 0.500005 Tm\n0.620478 -0.000002 -0.000001 Tm\n-0.000004 0.000002 0.000000 Te\n0.666666 0.333335 0.503165 Te\n0.333331 0.666664 0.496833 Te\n0.796961 0.920780 0.785230 O\n0.764440 0.225778 0.721622 O\n0.920773 0.796962 0.214767 O\n0.774220 0.538669 0.721618 O\n0.542716 0.129963 0.286107 O\n0.587243 0.457282 0.286113 O\n0.461325 0.235550 0.721616 O\n0.457277 0.587243 0.713891 O\n0.235551 0.461330 0.278382 O\n0.203035 0.123811 0.214767 O\n0.123810 0.203043 0.785238 O\n0.870038 0.412754 0.286110 O\n0.412747 0.870036 0.713890 O\n0.129954 0.542715 0.713885 O\n0.225779 0.764445 0.278371 O\n0.079219 0.876191 0.785218 O\n0.538671 0.774224 0.278386 O\n0.876182 0.079219 0.214777 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tm",
"Te",
"O"
],
"chemical_system": "O-Te-Tm",
"density": 7.736961526713611,
"density_atomic": 0.07468636101939191,
"volume": 361.51178918717966,
"volume_molar": 8.063240299572747,
"formula_full": "Tm6 Te3 O18",
"formula_reduced": "Tm2TeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.0685096962962963,
"spacegroup": 150
},
{
"id": "jvasp-34408",
"created_at": "2022-09-04T14:38:06.040376Z",
"updated_at": "2022-09-04T14:38:06.040409Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n4.529391 -7.845135 -0.000000\n4.529391 7.845135 0.000000\n0.000000 -0.000000 4.955161\nNa Mn Cr F\n3 3 3 18\ndirect\n0.368027 -0.000000 0.000000 Na\n0.631973 0.631973 0.000000 Na\n-0.000000 0.368027 0.000000 Na\n0.699984 -0.000000 0.500000 Mn\n-0.000000 0.699984 0.500000 Mn\n0.300016 0.300016 0.500000 Mn\n0.333333 0.666667 0.497475 Cr\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.502525 Cr\n0.798120 0.897334 0.224675 F\n0.130146 0.591313 0.283761 F\n0.201879 0.099213 0.775325 F\n0.897334 0.798120 0.775325 F\n0.900787 0.102666 0.775325 F\n0.102666 0.900787 0.224675 F\n0.099213 0.201879 0.224675 F\n0.538833 0.408687 0.716239 F\n0.766993 0.541013 0.290192 F\n0.869854 0.461166 0.716239 F\n0.458987 0.225979 0.290192 F\n0.461166 0.869854 0.283761 F\n0.774021 0.233007 0.290192 F\n0.233007 0.774021 0.709808 F\n0.225979 0.458987 0.709808 F\n0.541013 0.766993 0.709808 F\n0.591313 0.130146 0.716239 F\n0.408687 0.538833 0.283761 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mn-Na",
"density": 3.450481272258493,
"density_atomic": 0.07667181858401241,
"volume": 352.1502489264032,
"volume_molar": 7.854438398903107,
"formula_full": "Na3 Mn3 Cr3 F18",
"formula_reduced": "NaMnCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.6736872595977015,
"spacegroup": 150
},
{
"id": "jvasp-43665",
"created_at": "2022-09-04T14:37:51.344548Z",
"updated_at": "2022-09-04T14:37:51.344564Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n2.537648 -4.395337 -0.000000\n2.537649 4.395336 0.000000\n0.000000 -0.000000 13.805085\nLi V O F\n3 6 3 15\ndirect\n0.670429 0.662783 0.129596 Li\n0.337218 0.007646 0.796263 Li\n0.992354 0.329572 0.462929 Li\n0.306750 0.970445 0.492335 V\n0.967733 0.307778 0.669765 V\n0.029555 0.336306 0.159002 V\n0.340047 0.032268 0.003099 V\n0.663695 0.693250 0.825669 V\n0.692223 0.659954 0.336432 V\n0.717406 0.001198 0.747589 O\n-0.001198 0.716208 0.414255 O\n0.283792 0.282595 0.080922 O\n0.019117 0.973224 0.907404 F\n0.022878 0.664524 0.078096 F\n0.981365 0.648406 0.747596 F\n0.667041 0.018636 0.080928 F\n0.718235 0.381938 0.238854 F\n0.663703 0.281765 0.572188 F\n0.362698 0.630214 0.243431 F\n0.618063 0.336298 0.905521 F\n0.351595 0.332959 0.414262 F\n0.335476 0.358353 0.744762 F\n0.641647 0.977123 0.411429 F\n0.267515 0.637303 0.576766 F\n0.369787 0.732485 0.910099 F\n0.954107 0.980883 0.240737 F\n0.026776 0.045894 0.574070 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5557876959362686,
"density_atomic": 0.08767405386391959,
"volume": 307.95884084369095,
"volume_molar": 6.8687832883227555,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1323437013888888,
"spacegroup": 145
},
{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
"updated_at": "2022-09-04T14:37:51.299714Z",
"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Si",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Si",
"density": 1.7600494358031098,
"density_atomic": 0.10913210248298731,
"volume": 247.40657776852646,
"volume_molar": 5.518211986192418,
"formula_full": "Si1 H12 C2 N6 F6",
"formula_reduced": "SiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.572193696111111,
"spacegroup": 12
},
{
"id": "jvasp-57175",
"created_at": "2022-09-04T14:37:34.971929Z",
"updated_at": "2022-09-04T14:37:34.971955Z",
"structure_string": "Na2 Mg5 P4 O16\n1.0\n5.188448 -0.000666 -0.004768\n-1.648044 7.780146 0.023832\n-0.054882 -2.939399 7.588866\nNa Mg P O\n2 5 4 16\ndirect\n0.437748 0.966139 0.703265 Na\n0.562253 0.033860 0.296735 Na\n0.092936 0.254796 0.781039 Mg\n0.637451 0.406710 0.672008 Mg\n0.907066 0.745203 0.218960 Mg\n0.000000 0.000000 0.000000 Mg\n0.362551 0.593289 0.327992 Mg\n0.381715 0.698028 0.969299 P\n0.618286 0.301972 0.030701 P\n0.868541 0.788508 0.570449 P\n0.131460 0.211492 0.429551 P\n0.264918 0.369845 0.376490 O\n0.115242 0.755197 0.469142 O\n0.657628 0.493757 0.176681 O\n0.757472 0.326328 0.866827 O\n0.342373 0.506243 0.823319 O\n0.242530 0.673672 0.133173 O\n0.740982 0.169637 0.087341 O\n0.317538 0.217458 0.969605 O\n0.069412 0.028555 0.266098 O\n0.930589 0.971445 0.733902 O\n0.682464 0.782542 0.030395 O\n0.884760 0.244802 0.530858 O\n0.327303 0.184324 0.562840 O\n0.259020 0.830362 0.912659 O\n0.672698 0.815675 0.437160 O\n0.735084 0.630155 0.623510 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P",
"density": 2.9639867802472772,
"density_atomic": 0.08804284755623412,
"volume": 306.6688635071094,
"volume_molar": 6.840011343514964,
"formula_full": "Na2 Mg5 P4 O16",
"formula_reduced": "Na2Mg5(PO4)4",
"formula_anonymous": "A2B4C5D16",
"energy_above_hull": 2.0256352314814814,
"spacegroup": 2
}
]
}