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=spacegroup&page=662",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=660",
"results": [
{
"id": "jvasp-98155",
"created_at": "2022-09-04T14:36:17.623837Z",
"updated_at": "2022-09-04T14:36:17.623858Z",
"structure_string": "K8 P8 H12 O30\n1.0\n7.660316 3.442893 -4.642139\n-7.660316 3.442893 4.642139\n-0.092702 0.000000 14.179173\nK P H O\n8 8 12 30\ndirect\n0.817771 0.366296 0.873577 K\n0.366297 0.817771 0.626423 K\n0.182228 0.633703 0.126423 K\n0.633703 0.182228 0.373577 K\n0.193727 0.232728 0.099858 K\n0.232728 0.193727 0.400142 K\n0.806272 0.767271 0.900142 K\n0.767272 0.806272 0.599858 K\n0.606266 0.271605 0.092762 P\n0.271606 0.606266 0.407238 P\n0.393733 0.728394 0.907238 P\n0.728394 0.393733 0.592762 P\n0.044236 0.764058 0.281934 P\n0.235941 0.955763 0.781934 P\n0.955763 0.235941 0.718065 P\n0.764058 0.044236 0.218065 P\n0.376274 0.090115 0.962369 H\n0.528109 0.629442 0.212528 H\n0.629442 0.528109 0.287472 H\n0.471890 0.370557 0.787472 H\n0.370557 0.471890 0.712527 H\n0.090115 0.376273 0.537631 H\n0.909884 0.623726 0.462369 H\n0.608443 0.782022 0.354976 H\n0.782022 0.608442 0.145024 H\n0.391557 0.217977 0.645024 H\n0.217977 0.391557 0.854976 H\n0.623726 0.909884 0.037631 H\n0.672395 0.144877 0.206495 O\n0.626381 0.412278 0.635244 O\n0.412279 0.626380 0.864756 O\n0.373619 0.587721 0.364756 O\n0.587721 0.373618 0.135244 O\n0.583687 0.234539 0.521905 O\n0.765460 0.416312 0.021905 O\n0.416312 0.765460 0.478095 O\n0.915037 0.625037 0.536619 O\n0.625037 0.915037 0.963381 O\n0.084962 0.374962 0.463381 O\n0.374963 0.084962 0.036619 O\n0.234539 0.583687 0.978095 O\n0.144877 0.672395 0.293505 O\n0.079157 0.238082 0.844200 O\n0.855122 0.327604 0.706495 O\n0.986848 0.217461 0.200662 O\n0.217461 0.986848 0.299338 O\n0.013151 0.782538 0.799338 O\n0.782539 0.013151 0.700662 O\n0.598912 0.885319 0.143177 O\n0.885319 0.598912 0.356823 O\n0.401087 0.114680 0.856823 O\n0.114681 0.401087 0.643177 O\n0.761917 0.920842 0.344200 O\n0.920842 0.761917 0.155800 O\n0.238083 0.079157 0.655800 O\n0.509705 0.509704 0.750000 O\n0.327604 0.855122 0.793505 O\n0.490295 0.490294 0.250000 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3464300688109674,
"density_atomic": 0.07785759041822331,
"volume": 744.9498461029248,
"volume_molar": 7.734815228227846,
"formula_full": "K8 P8 H12 O30",
"formula_reduced": "K4P4(H2O5)3",
"formula_anonymous": "A4B4C6D15",
"energy_above_hull": 2.581257120689654,
"spacegroup": 15
},
{
"id": "jvasp-98636",
"created_at": "2022-09-04T14:36:17.952139Z",
"updated_at": "2022-09-04T14:36:17.952152Z",
"structure_string": "Na8 Te4 H40 O32\n1.0\n6.677936 3.678778 -0.847417\n-6.677936 3.678778 0.847417\n0.104157 0.000000 17.021862\nNa Te H O\n8 4 40 32\ndirect\n0.469051 0.564037 0.575156 Na\n0.564037 0.469051 0.924844 Na\n0.530950 0.435963 0.424844 Na\n0.435963 0.530949 0.075156 Na\n0.516372 0.516371 0.750000 Na\n0.483629 0.483629 0.250000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.147325 0.825570 0.183255 Te\n0.825570 0.147325 0.316745 Te\n0.852676 0.174430 0.816745 Te\n0.174431 0.852675 0.683255 Te\n0.875270 0.768186 0.342713 H\n0.768186 0.875270 0.157287 H\n0.832045 0.843293 0.455188 H\n0.843293 0.832045 0.044812 H\n0.167956 0.156707 0.544812 H\n0.156707 0.167955 0.955188 H\n0.874138 0.805236 0.545536 H\n0.125863 0.194764 0.454464 H\n0.588076 0.911045 0.655866 H\n0.795906 0.901209 0.655619 H\n0.901209 0.795906 0.844381 H\n0.204095 0.098791 0.344381 H\n0.098791 0.204095 0.155619 H\n0.231814 0.124730 0.842713 H\n0.911045 0.588076 0.844134 H\n0.411924 0.088956 0.344134 H\n0.088956 0.411924 0.155866 H\n0.194764 0.125862 0.045536 H\n0.124730 0.231814 0.657287 H\n0.805236 0.874138 0.954463 H\n0.877771 0.556792 0.340050 H\n0.556792 0.877770 0.159950 H\n0.774418 0.469308 0.646701 H\n0.469309 0.774418 0.853299 H\n0.530692 0.225583 0.146701 H\n0.554886 0.253250 0.647318 H\n0.253251 0.554886 0.852682 H\n0.445115 0.746750 0.352682 H\n0.746750 0.445115 0.147318 H\n0.432964 0.840471 0.458918 H\n0.225583 0.530692 0.353299 H\n0.567037 0.159529 0.541082 H\n0.159530 0.567036 0.958918 H\n0.366013 0.851294 0.543598 H\n0.851295 0.366013 0.956402 H\n0.633988 0.148706 0.456402 H\n0.148706 0.633987 0.043598 H\n0.122230 0.443208 0.659950 H\n0.840471 0.432964 0.041082 H\n0.443209 0.122230 0.840050 H\n0.755959 0.341671 0.997728 O\n0.733545 0.780757 0.000942 O\n0.219244 0.266456 0.500942 O\n0.266456 0.219244 0.999058 O\n0.651973 0.828592 0.673527 O\n0.828593 0.651973 0.826473 O\n0.348027 0.171408 0.326473 O\n0.376772 0.595943 0.345760 O\n0.623228 0.404057 0.654240 O\n0.404058 0.623228 0.845759 O\n0.595943 0.376772 0.154240 O\n0.341671 0.755959 0.502272 O\n0.780757 0.733544 0.499058 O\n0.171408 0.348027 0.173527 O\n0.622331 0.794257 0.172598 O\n0.992655 0.420561 0.874260 O\n0.377670 0.205743 0.827402 O\n0.205743 0.377669 0.672597 O\n0.402497 0.968547 0.134035 O\n0.968547 0.402497 0.365965 O\n0.597503 0.031454 0.865965 O\n0.031454 0.597503 0.634035 O\n0.007345 0.579440 0.125740 O\n0.579440 0.007345 0.374260 O\n0.420561 0.992655 0.625740 O\n0.023792 0.962446 0.125514 O\n0.962447 0.023792 0.374486 O\n0.976208 0.037554 0.874486 O\n0.037554 0.976208 0.625514 O\n0.658329 0.244042 0.497728 O\n0.794258 0.622331 0.327402 O\n0.244042 0.658329 0.002272 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Na",
"Te",
"H",
"O"
],
"chemical_system": "H-Na-O-Te",
"density": 2.4732157201082825,
"density_atomic": 0.10035968675928437,
"volume": 836.9894597367212,
"volume_molar": 6.000557549012961,
"formula_full": "Na8 Te4 H40 O32",
"formula_reduced": "Na2Te(H5O4)2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 2.6292777984126987,
"spacegroup": 15
},
{
"id": "jvasp-96925",
"created_at": "2022-09-04T14:36:18.426017Z",
"updated_at": "2022-09-04T14:36:18.426050Z",
"structure_string": "Fe14 S16\n1.0\n6.391153 0.000000 1.927387\n3.138334 5.627998 1.153506\n0.192440 0.255113 10.921997\nFe S\n14 16\ndirect\n0.897959 0.290683 0.030206 Fe\n0.302493 0.250000 0.250000 Fe\n0.697506 0.750000 0.750001 Fe\n0.497145 0.714756 0.999236 Fe\n0.502854 0.285243 0.000765 Fe\n0.288862 0.214757 0.499236 Fe\n0.325769 0.780070 0.269870 Fe\n0.711137 0.785243 0.500766 Fe\n0.674230 0.219930 0.730131 Fe\n0.124291 0.280069 0.769870 Fe\n0.281150 0.790683 0.530206 Fe\n0.102039 0.709317 0.969795 Fe\n0.718848 0.209317 0.469795 Fe\n0.875708 0.719930 0.230131 Fe\n0.448186 0.569621 0.848053 S\n0.575781 0.918339 0.128770 S\n0.122890 0.581661 0.371231 S\n0.634139 0.069621 0.348053 S\n0.551813 0.430379 0.151948 S\n0.365860 0.930379 0.651948 S\n0.109366 0.086276 0.388199 S\n0.094208 0.913562 0.118305 S\n0.890633 0.913724 0.611802 S\n0.916159 0.586275 0.888200 S\n0.373925 0.413561 0.618305 S\n0.905791 0.086438 0.881696 S\n0.626074 0.586439 0.381696 S\n0.877109 0.418339 0.628770 S\n0.083840 0.413724 0.111802 S\n0.424218 0.081661 0.871231 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.507179730885648,
"density_atomic": 0.07683785601984774,
"volume": 390.4325491883948,
"volume_molar": 7.837465894993791,
"formula_full": "Fe14 S16",
"formula_reduced": "Fe7S8",
"formula_anonymous": "A7B8",
"energy_above_hull": 3.2132232333333337,
"spacegroup": 15
},
{
"id": "jvasp-86711",
"created_at": "2022-09-04T14:36:18.666781Z",
"updated_at": "2022-09-04T14:36:18.666799Z",
"structure_string": "Na2 Ag2 C4 N4\n1.0\n3.598616 0.000000 0.000000\n-1.799308 3.110108 0.120818\n0.000000 1.314212 18.348586\nNa Ag C N\n2 2 4 4\ndirect\n0.835849 -0.000000 0.250000 Na\n0.164151 -0.000000 0.750000 Na\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.520935 0.425217 0.110818 C\n0.095717 0.574783 0.389183 C\n0.479066 0.574783 0.889183 C\n0.904283 0.425217 0.610818 C\n0.530092 0.382225 0.174481 N\n0.469908 0.617775 0.825520 N\n0.852134 0.382225 0.674481 N\n0.147867 0.617776 0.325520 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-N-Na",
"density": 2.9660066054039844,
"density_atomic": 0.058597316939281885,
"volume": 204.78753340249884,
"volume_molar": 10.277161267025415,
"formula_full": "Na2 Ag2 C4 N4",
"formula_reduced": "NaAg(CN)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.949313793333333,
"spacegroup": 15
},
{
"id": "jvasp-87116",
"created_at": "2022-09-04T14:36:20.297537Z",
"updated_at": "2022-09-04T14:36:20.297560Z",
"structure_string": "Ca2 Al2 F10\n1.0\n5.097780 0.005467 1.853332\n1.122473 4.972670 1.853332\n0.002884 0.002308 7.379521\nCa Al F\n2 2 10\ndirect\n0.455607 0.544393 0.250000 Ca\n0.544391 0.455608 0.750000 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.798625 0.755854 0.614881 F\n0.244146 0.201375 0.885119 F\n0.201373 0.244147 0.385120 F\n0.755853 0.798627 0.114881 F\n0.939111 0.060889 0.750000 F\n0.060887 0.939112 0.250000 F\n0.729876 0.298454 0.027060 F\n0.701546 0.270125 0.472940 F\n0.270123 0.701547 0.972940 F\n0.298453 0.729876 0.527060 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.8783240739803517,
"density_atomic": 0.07487475786719504,
"volume": 186.9789018193785,
"volume_molar": 8.042951899332268,
"formula_full": "Ca2 Al2 F10",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-97012",
"created_at": "2022-09-04T14:36:20.256333Z",
"updated_at": "2022-09-04T14:36:20.256360Z",
"structure_string": "K2 Sc2 As4 H4 O16\n1.0\n3.927921 5.349936 -1.401855\n-3.927921 5.349936 1.401855\n-0.018249 0.000000 9.248341\nK Sc As H O\n2 2 4 4 16\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 -0.000000 K\n0.861017 0.861017 0.750000 Sc\n0.138984 0.138984 0.250000 Sc\n0.872104 0.321440 0.860102 As\n0.321440 0.872105 0.639898 As\n0.127896 0.678560 0.139898 As\n0.678560 0.127896 0.360102 As\n0.665322 0.308420 0.544713 H\n0.308420 0.665322 0.955286 H\n0.334679 0.691581 0.455286 H\n0.691581 0.334679 0.044714 H\n0.382300 0.645638 0.571716 O\n0.645638 0.382300 0.928283 O\n0.818663 0.912889 0.511169 O\n0.912888 0.818663 0.988831 O\n0.181338 0.087112 0.488831 O\n0.087112 0.181338 0.011169 O\n0.810175 0.182337 0.225139 O\n0.543263 0.915222 0.733574 O\n0.189826 0.817664 0.774861 O\n0.817664 0.189826 0.725139 O\n0.456737 0.084779 0.266426 O\n0.084779 0.456737 0.233574 O\n0.354362 0.617701 0.071716 O\n0.915222 0.543263 0.766426 O\n0.182337 0.810175 0.274861 O\n0.617701 0.354362 0.428284 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"K",
"Sc",
"As",
"H",
"O"
],
"chemical_system": "As-H-K-O-Sc",
"density": 3.111516252035736,
"density_atomic": 0.07208731033011233,
"volume": 388.4178764858679,
"volume_molar": 8.353954021064967,
"formula_full": "K2 Sc2 As4 H4 O16",
"formula_reduced": "KScAs2(HO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.5837460535714283,
"spacegroup": 15
},
{
"id": "jvasp-98768",
"created_at": "2022-09-04T14:36:21.174567Z",
"updated_at": "2022-09-04T14:36:21.174586Z",
"structure_string": "Sr12 Mg4 Si8 O32\n1.0\n5.484179 0.000000 0.000000\n0.000000 9.470293 0.068233\n0.000000 0.099437 13.945488\nSr Mg Si O\n12 4 8 32\ndirect\n0.694246 0.250236 0.250049 Sr\n0.267839 0.423087 0.912251 Sr\n0.767839 0.576913 0.587749 Sr\n0.194246 0.749764 0.249951 Sr\n0.232161 0.423087 0.412251 Sr\n0.305754 0.749764 0.749951 Sr\n0.732149 0.923144 0.412118 Sr\n0.232149 0.076856 0.087882 Sr\n0.805754 0.250236 0.750049 Sr\n0.767851 0.923144 0.912118 Sr\n0.732161 0.576913 0.087749 Sr\n0.267851 0.076856 0.587882 Sr\n0.749992 0.249973 0.500043 Mg\n0.250008 0.750027 0.499957 Mg\n0.249992 0.750027 0.999957 Mg\n0.750008 0.249973 0.000043 Mg\n0.262479 0.410243 0.634947 Si\n0.762479 0.589757 0.865053 Si\n0.237563 0.089823 0.365115 Si\n0.237521 0.410243 0.134947 Si\n0.737563 0.910177 0.134885 Si\n0.262437 0.089823 0.865115 Si\n0.737522 0.589757 0.365053 Si\n0.762437 0.910177 0.634885 Si\n0.481755 0.676131 0.385381 O\n0.784251 0.066143 0.580632 O\n0.284251 0.933857 0.919368 O\n0.518245 0.323869 0.614619 O\n0.018245 0.676131 0.885381 O\n0.542379 0.673881 0.923552 O\n0.481707 0.823833 0.114603 O\n0.981755 0.323869 0.114619 O\n0.174459 0.077076 0.754950 O\n0.715749 0.066143 0.080632 O\n0.518294 0.176167 0.885397 O\n0.042379 0.326119 0.576449 O\n0.957489 0.826052 0.076281 O\n0.215780 0.566172 0.080622 O\n0.457489 0.173948 0.423719 O\n0.215749 0.933857 0.419368 O\n0.981707 0.176167 0.385397 O\n0.284220 0.566172 0.580622 O\n0.825131 0.576806 0.254859 O\n0.042511 0.173948 0.923719 O\n0.674459 0.922924 0.745050 O\n0.715780 0.433828 0.419378 O\n0.825541 0.922924 0.245050 O\n0.174870 0.423194 0.745141 O\n0.018293 0.823833 0.614603 O\n0.542512 0.826052 0.576281 O\n0.674870 0.576806 0.754859 O\n0.325130 0.423194 0.245141 O\n0.784220 0.433828 0.919378 O\n0.325541 0.077076 0.254950 O\n0.457621 0.326119 0.076448 O\n0.957622 0.673881 0.423551 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Sr",
"density": 4.322637695784885,
"density_atomic": 0.07732173413194884,
"volume": 724.2465605393239,
"volume_molar": 7.788419165202984,
"formula_full": "Sr12 Mg4 Si8 O32",
"formula_reduced": "Sr3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.799451655714286,
"spacegroup": 15
},
{
"id": "jvasp-97773",
"created_at": "2022-09-04T14:36:21.290434Z",
"updated_at": "2022-09-04T14:36:21.290461Z",
"structure_string": "Sm2 B6 O12\n1.0\n5.580001 -0.042619 2.890745\n2.648151 5.615046 1.198765\n-0.049312 -0.016898 6.322639\nSm B O\n2 6 12\ndirect\n0.250000 0.801403 0.698597 Sm\n0.750000 0.198598 0.301403 Sm\n0.413219 0.788828 0.159397 B\n0.086780 0.340603 0.711172 B\n0.913220 0.659398 0.288828 B\n0.750000 0.780071 0.719930 B\n0.586780 0.211172 0.840603 B\n0.250000 0.219930 0.280070 B\n0.708641 0.785399 0.503858 O\n0.995142 0.586376 0.710563 O\n0.504858 0.789438 0.913623 O\n0.496340 0.607671 0.290634 O\n0.003660 0.209366 0.892329 O\n0.503660 0.392329 0.709366 O\n0.996340 0.790635 0.107671 O\n0.291359 0.214601 0.496142 O\n0.208642 0.003858 0.285399 O\n0.495142 0.210563 0.086377 O\n0.791358 0.996143 0.714601 O\n0.004858 0.413624 0.289437 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"B",
"O"
],
"chemical_system": "B-O-Sm",
"density": 4.638663793444153,
"density_atomic": 0.10019995850663578,
"volume": 199.60088105900255,
"volume_molar": 6.010123007786656,
"formula_full": "Sm2 B6 O12",
"formula_reduced": "Sm(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.2298837625,
"spacegroup": 15
},
{
"id": "jvasp-90731",
"created_at": "2022-09-04T14:36:21.754804Z",
"updated_at": "2022-09-04T14:36:21.754828Z",
"structure_string": "Li2 H4 N2\n1.0\n-1.639412 -5.201203 -0.465815\n-1.639412 5.201203 -0.465815\n-1.794911 0.000000 -4.396247\nLi H N\n2 4 2\ndirect\n0.153277 0.186375 0.323603 Li\n0.186375 0.153276 0.823604 Li\n0.756879 0.429380 0.196678 H\n0.429380 0.756879 0.696678 H\n0.582245 0.910098 0.950399 H\n0.910099 0.582245 0.450399 H\n0.569777 0.769906 0.823596 N\n0.769906 0.569777 0.323595 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.1507106425123954,
"density_atomic": 0.12070838197936828,
"volume": 66.27543066037764,
"volume_molar": 4.988999654580173,
"formula_full": "Li2 H4 N2",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6128108125,
"spacegroup": 15
},
{
"id": "jvasp-98467",
"created_at": "2022-09-04T14:36:21.625945Z",
"updated_at": "2022-09-04T14:36:21.625972Z",
"structure_string": "Dy8 B12 O30\n1.0\n4.387204 0.000000 -0.000000\n-2.193602 5.811774 -0.675845\n-0.000000 0.010379 18.839852\nDy B O\n8 12 30\ndirect\n0.648434 0.725488 0.695934 Dy\n0.351566 0.274511 0.304066 Dy\n0.077054 0.725488 0.195934 Dy\n0.927618 0.267909 0.599128 Dy\n0.659709 0.732090 0.900872 Dy\n0.072382 0.732090 0.400872 Dy\n0.340291 0.267909 0.099128 Dy\n0.922945 0.274511 0.804066 Dy\n0.801432 0.191247 0.412847 B\n0.610185 0.808752 0.087154 B\n0.022657 0.663449 0.025273 B\n0.389814 0.191247 0.912846 B\n0.201297 0.863742 0.805295 B\n0.337554 0.136257 0.694705 B\n0.798702 0.136257 0.194705 B\n0.198567 0.808752 0.587154 B\n0.640792 0.663449 0.525273 B\n0.977342 0.336550 0.974727 B\n0.359207 0.336550 0.474727 B\n0.662445 0.863742 0.305295 B\n0.083525 0.642339 0.638828 O\n0.810069 0.969903 0.378977 O\n0.751652 0.745044 0.020799 O\n0.870314 0.000000 0.250000 O\n0.052461 0.363055 0.204145 O\n0.689406 0.636944 0.295855 O\n0.947538 0.636944 0.795855 O\n0.310594 0.363055 0.704145 O\n0.248348 0.254955 0.979201 O\n0.993392 0.745044 0.520799 O\n0.129685 0.000000 0.750000 O\n0.006608 0.254955 0.479201 O\n0.456229 0.166278 0.430636 O\n0.441185 0.357661 0.861172 O\n0.558814 0.642338 0.138829 O\n0.505655 0.420004 0.549997 O\n0.085651 0.579996 0.950003 O\n0.494344 0.579996 0.450003 O\n0.914348 0.420004 0.049997 O\n0.189930 0.030096 0.621023 O\n0.159834 0.969903 0.878977 O\n0.916475 0.357661 0.361172 O\n0.840166 0.030096 0.121023 O\n0.530458 0.869572 0.802851 O\n0.660885 0.130427 0.697149 O\n0.339114 0.869572 0.302851 O\n0.543770 0.833721 0.569364 O\n0.710049 0.166278 0.930636 O\n0.289951 0.833721 0.069364 O\n0.469541 0.130427 0.197149 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Dy",
"B",
"O"
],
"chemical_system": "B-Dy-O",
"density": 6.601088781852195,
"density_atomic": 0.10408020736955516,
"volume": 480.398735395157,
"volume_molar": 5.78605761095126,
"formula_full": "Dy8 B12 O30",
"formula_reduced": "Dy4(B2O5)3",
"formula_anonymous": "A4B6C15",
"energy_above_hull": 3.38180656,
"spacegroup": 15
},
{
"id": "jvasp-97312",
"created_at": "2022-09-04T14:36:21.751257Z",
"updated_at": "2022-09-04T14:36:21.751285Z",
"structure_string": "Na8 Sr4 Mg4 P8 O32\n1.0\n9.077134 0.000000 -0.007015\n0.000000 5.317573 0.000000\n-0.007695 0.000000 13.526570\nNa Sr Mg P O\n8 4 4 8 32\ndirect\n0.082372 0.224204 0.910542 Na\n0.917629 0.724204 0.589458 Na\n0.917628 0.775795 0.089458 Na\n0.082371 0.275796 0.410542 Na\n0.417668 0.224209 0.589483 Na\n0.582332 0.724209 0.910517 Na\n0.582332 0.775790 0.410517 Na\n0.417668 0.275790 0.089483 Na\n0.750028 0.310327 0.249994 Sr\n0.249972 0.810327 0.250006 Sr\n0.249972 0.689672 0.750006 Sr\n0.750028 0.189672 0.749994 Sr\n0.750003 0.249988 0.499990 Mg\n0.249997 0.749987 0.000010 Mg\n0.249997 0.750012 0.500010 Mg\n0.750003 0.250012 -0.000010 Mg\n0.417584 0.271222 0.367353 P\n0.582416 0.771222 0.132646 P\n0.582416 0.728777 0.632646 P\n0.417584 0.228778 0.867353 P\n0.082404 0.271212 0.132658 P\n0.917596 0.771212 0.367342 P\n0.917596 0.728787 0.867342 P\n0.082404 0.228788 0.632658 P\n0.645653 0.963679 0.577905 O\n0.645653 0.536320 0.077905 O\n0.354347 0.036321 0.422094 O\n0.424205 0.283999 0.756321 O\n0.575795 0.783999 0.743679 O\n0.575795 0.716001 0.243679 O\n0.574070 0.176738 0.909418 O\n0.354347 0.463679 0.922094 O\n0.425930 0.676738 0.590582 O\n0.425930 0.823261 0.090582 O\n0.574070 0.323262 0.409418 O\n0.682369 0.497809 0.610168 O\n0.317632 0.997808 0.889831 O\n0.424205 0.216001 0.256321 O\n0.145639 0.036284 0.077935 O\n0.074064 0.823258 0.409444 O\n0.854361 0.963716 0.922065 O\n0.145639 0.463716 0.577935 O\n0.182380 0.502160 0.110193 O\n0.817620 0.002160 0.389807 O\n0.817620 0.497840 0.889807 O\n0.182380 0.997839 0.610193 O\n0.075717 0.216031 0.243693 O\n0.924283 0.716031 0.256307 O\n0.924283 0.783968 0.756307 O\n0.075717 0.283969 0.743693 O\n0.317631 0.502191 0.389831 O\n0.925936 0.323258 0.090555 O\n0.925936 0.176742 0.590555 O\n0.074064 0.676741 0.909444 O\n0.854361 0.536284 0.422065 O\n0.682368 0.002191 0.110168 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P-Sr",
"density": 3.5387344826992098,
"density_atomic": 0.08577057592648647,
"volume": 652.9045584117019,
"volume_molar": 7.021219917144484,
"formula_full": "Na8 Sr4 Mg4 P8 O32",
"formula_reduced": "Na2SrMg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.780484454285714,
"spacegroup": 15
},
{
"id": "jvasp-101369",
"created_at": "2022-09-04T14:36:22.359018Z",
"updated_at": "2022-09-04T14:36:22.359042Z",
"structure_string": "Mn4 Si2 P8 O28\n1.0\n5.037461 0.000043 -0.000015\n-2.518946 8.331063 -2.016575\n0.000028 -0.010024 12.447651\nMn Si P O\n4 2 8 28\ndirect\n0.092221 0.491566 0.631280 Mn\n0.400814 0.491573 0.131276 Mn\n0.599930 0.507091 0.867870 Mn\n0.908537 0.507083 0.367883 Mn\n0.157813 0.999337 0.749589 Si\n0.842928 0.999323 0.249577 Si\n0.692828 0.730205 0.586639 P\n0.038825 0.730210 0.086634 P\n0.488337 0.240795 0.629541 P\n0.753859 0.240796 0.129550 P\n0.512437 0.757851 0.369617 P\n0.246866 0.757869 0.869615 P\n0.307941 0.268437 0.412523 P\n0.961894 0.268446 0.912526 P\n0.484039 0.275101 0.114310 O\n0.130788 0.818124 0.987241 O\n0.312001 0.180522 0.511915 O\n0.609420 0.621618 0.299641 O\n-0.012916 0.377039 0.199516 O\n0.391361 0.377039 0.699506 O\n0.013643 0.621635 0.799641 O\n0.033307 0.130816 0.826702 O\n0.792462 0.275102 0.614301 O\n0.901888 0.867822 0.672463 O\n0.967394 0.867831 0.172458 O\n0.098885 0.130817 0.326698 O\n0.779578 0.591204 0.046544 O\n0.187712 0.407443 0.452615 O\n0.221151 0.407446 0.952610 O\n0.813057 0.591197 0.546551 O\n0.282828 0.695168 0.132949 O\n0.586983 0.303477 0.366204 O\n0.717899 0.303492 0.866206 O\n0.413783 0.695168 0.632955 O\n0.869919 0.180538 0.011921 O\n0.688789 0.818112 0.487241 O\n0.387292 0.081697 0.672158 O\n0.304957 0.916985 0.827017 O\n0.613464 0.916959 0.327010 O\n0.695793 0.081684 0.172154 O\n0.516676 0.723555 0.884861 O\n0.208316 0.723535 0.384867 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"Si",
"P",
"O"
],
"chemical_system": "Mn-O-P-Si",
"density": 3.0893260653867665,
"density_atomic": 0.08041430520536995,
"volume": 522.2951301106971,
"volume_molar": 7.488892361402695,
"formula_full": "Mn4 Si2 P8 O28",
"formula_reduced": "Mn2Si(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.350836861083744,
"spacegroup": 15
}
]
}