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=-id&page=52",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=50",
"results": [
{
"id": "jvasp-99328",
"created_at": "2022-09-04T14:36:34.748405Z",
"updated_at": "2022-09-04T14:36:34.748431Z",
"structure_string": "V16 O24\n1.0\n7.672116 -0.000000 -2.712503\n-3.836058 6.644247 -2.712503\n0.000000 0.000000 8.137508\nV O\n16 24\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.033920 0.783920 V\n0.716080 0.750000 0.466081 V\n0.466080 0.716080 0.750001 V\n0.783920 0.250000 0.033920 V\n0.033920 0.783920 0.250000 V\n0.750000 0.966080 0.216081 V\n0.750000 0.466080 0.716081 V\n0.533920 0.283920 0.250000 V\n0.216080 0.750000 0.966081 V\n0.966081 0.216080 0.750001 V\n0.250000 0.533920 0.283920 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.283920 0.250000 0.533920 V\n-0.000000 0.500000 0.500000 V\n0.226379 0.274174 0.763469 O\n0.273621 0.037089 0.047795 O\n0.010705 0.462911 0.736532 O\n0.452206 0.489295 0.225826 O\n0.537090 0.263469 0.989295 O\n0.763469 0.226379 0.274175 O\n0.774174 0.547795 0.510706 O\n0.725826 0.236531 0.773621 O\n0.952206 0.726380 0.962912 O\n0.726380 0.962911 0.952206 O\n0.989295 0.537090 0.263470 O\n0.547795 0.510705 0.774175 O\n0.773621 0.725826 0.236532 O\n0.489295 0.225826 0.452206 O\n0.263469 0.989295 0.537090 O\n0.236531 0.773621 0.725827 O\n0.962911 0.952206 0.726380 O\n0.462911 0.736531 0.010706 O\n0.225826 0.452205 0.489295 O\n0.274174 0.763469 0.226380 O\n0.047795 0.273621 0.037090 O\n0.037089 0.047795 0.273621 O\n0.510705 0.774174 0.547795 O\n0.736532 0.010705 0.462911 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.799918771017288,
"density_atomic": 0.09642899338149663,
"volume": 414.81299967272537,
"volume_molar": 6.245155682767465,
"formula_full": "V16 O24",
"formula_reduced": "V2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.9124797799999995,
"spacegroup": 206
},
{
"id": "jvasp-99327",
"created_at": "2022-09-04T14:36:35.006687Z",
"updated_at": "2022-09-04T14:36:35.006717Z",
"structure_string": "Si4 Cl8 O4\n1.0\n5.832820 0.001810 0.892507\n2.136133 7.574181 1.717647\n-0.023938 -0.020163 8.077636\nSi Cl O\n4 8 4\ndirect\n0.115505 0.687909 0.115006 Si\n0.884494 0.312091 0.884996 Si\n0.978296 0.677782 0.744084 Si\n0.021703 0.322219 0.255917 Si\n0.729559 0.331450 0.426007 Cl\n0.270441 0.668550 0.573994 Cl\n0.707436 0.889520 0.665109 Cl\n0.292564 0.110480 0.334892 Cl\n0.120955 0.110751 0.783645 Cl\n0.879044 0.889249 0.216356 Cl\n0.549848 0.283184 0.903285 Cl\n0.450151 0.716817 0.096716 Cl\n0.954785 0.309263 0.072090 O\n0.045214 0.690738 0.927912 O\n0.894603 0.498402 0.761915 O\n0.105396 0.501599 0.238086 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si",
"density": 2.1385346097578215,
"density_atomic": 0.04479852386421474,
"volume": 357.15462519471254,
"volume_molar": 13.44272141254751,
"formula_full": "Si4 Cl8 O4",
"formula_reduced": "SiCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.97611005875,
"spacegroup": 2
},
{
"id": "jvasp-99325",
"created_at": "2022-09-04T14:36:41.968299Z",
"updated_at": "2022-09-04T14:36:41.968316Z",
"structure_string": "Rb8 Co4 Cl16\n1.0\n7.070423 0.000000 0.000000\n-0.000000 9.298940 0.000000\n0.000000 0.000000 12.391559\nRb Co Cl\n8 4 16\ndirect\n0.750000 0.978802 0.829588 Rb\n0.750000 0.478802 0.670412 Rb\n0.250000 0.521198 0.329588 Rb\n0.750000 0.631809 0.095093 Rb\n0.250000 0.368191 0.904907 Rb\n0.750000 0.131809 0.404907 Rb\n0.250000 0.868191 0.595093 Rb\n0.250000 0.021198 0.170412 Rb\n0.750000 0.228958 0.075794 Co\n0.250000 0.771042 0.924206 Co\n0.750000 0.728958 0.424206 Co\n0.250000 0.271042 0.575794 Co\n0.250000 0.511569 0.597734 Cl\n0.750000 0.488431 0.402266 Cl\n0.493776 0.826172 0.347162 Cl\n0.750000 0.314505 0.905752 Cl\n0.250000 0.685495 0.094248 Cl\n0.750000 0.814505 0.594248 Cl\n0.250000 0.185495 0.405752 Cl\n0.493776 0.326172 0.152838 Cl\n-0.006224 0.673828 0.847162 Cl\n0.006224 0.826172 0.347162 Cl\n0.506224 0.173828 0.652838 Cl\n0.506224 0.673828 0.847162 Cl\n0.006224 0.326172 0.152838 Cl\n-0.006224 0.173828 0.652838 Cl\n0.750000 0.988430 0.097734 Cl\n0.250000 0.011569 0.902266 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Rb",
"density": 3.03022180278904,
"density_atomic": 0.03436791929404363,
"volume": 814.7132725853651,
"volume_molar": 17.52256430910471,
"formula_full": "Rb8 Co4 Cl16",
"formula_reduced": "Rb2CoCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0841510242857143,
"spacegroup": 62
},
{
"id": "jvasp-99323",
"created_at": "2022-09-04T14:36:40.665574Z",
"updated_at": "2022-09-04T14:36:40.665599Z",
"structure_string": "Sr4 Tb4 O12\n1.0\n6.031965 -0.000000 0.000000\n-0.000000 6.212314 0.000000\n0.000000 0.000000 8.529501\nTb Sr O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.017596 0.948533 0.750000 Sr\n0.517596 0.551466 0.250000 Sr\n0.482405 0.448534 0.750000 Sr\n0.982405 0.051466 0.250000 Sr\n0.883177 0.551882 0.750000 O\n0.383177 0.948117 0.250000 O\n0.204514 0.207315 0.562635 O\n0.204514 0.207315 0.937365 O\n0.704514 0.292685 0.062635 O\n0.295486 0.707315 0.562635 O\n0.795487 0.792684 0.437365 O\n0.795487 0.792684 0.062635 O\n0.295486 0.707315 0.937365 O\n0.704514 0.292685 0.437365 O\n0.116824 0.448118 0.250000 O\n0.616824 0.051882 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sr",
"O"
],
"chemical_system": "O-Sr-Tb",
"density": 6.121005494944441,
"density_atomic": 0.06257403480067288,
"volume": 319.6213903052474,
"volume_molar": 9.624025011625497,
"formula_full": "Sr4 Tb4 O12",
"formula_reduced": "SrTbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.127217042,
"spacegroup": 62
},
{
"id": "jvasp-99321",
"created_at": "2022-09-04T14:36:39.355557Z",
"updated_at": "2022-09-04T14:36:39.355583Z",
"structure_string": "Tm16 S24\n1.0\n10.195982 0.000000 -3.604824\n-5.097991 8.829979 -3.604824\n0.000000 0.000000 10.814472\nTm S\n16 24\ndirect\n0.500000 0.500000 0.500000 Tm\n0.951650 0.250000 0.201651 Tm\n0.750000 0.298350 0.548350 Tm\n0.201650 0.951650 0.250000 Tm\n0.298350 0.548350 0.750000 Tm\n0.250000 0.201650 0.951650 Tm\n0.048350 0.750000 0.798350 Tm\n0.548350 0.750000 0.298350 Tm\n0.798350 0.048350 0.750000 Tm\n0.701650 0.451650 0.250000 Tm\n0.750000 0.798350 0.048350 Tm\n0.451650 0.250000 0.701650 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 -0.000000 0.000000 Tm\n0.250000 0.701650 0.451651 Tm\n-0.000000 -0.000000 0.500000 Tm\n0.722708 0.267105 0.777882 S\n0.777292 0.555173 0.544397 S\n0.989224 0.944827 0.722119 S\n0.955603 0.510776 0.232896 S\n0.055173 0.277881 0.010776 S\n0.777881 0.722708 0.267105 S\n0.767105 0.044397 0.489224 S\n0.732895 0.222119 0.277292 S\n0.455603 0.222708 0.444827 S\n0.222708 0.444827 0.455603 S\n0.010776 0.055173 0.277881 S\n0.044397 0.489224 0.767105 S\n0.277292 0.732895 0.222119 S\n0.510776 0.232895 0.955603 S\n0.277881 0.010776 0.055173 S\n0.222119 0.277292 0.732895 S\n0.444827 0.455603 0.222708 S\n0.944827 0.722119 0.989224 S\n0.232895 0.955603 0.510777 S\n0.267105 0.777881 0.722708 S\n0.544397 0.777292 0.555174 S\n0.555173 0.544397 0.777292 S\n0.489224 0.767105 0.044398 S\n0.722119 0.989224 0.944827 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 5.922406609136596,
"density_atomic": 0.0410833585683172,
"volume": 973.6302336013816,
"volume_molar": 14.658345787348004,
"formula_full": "Tm16 S24",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3399397,
"spacegroup": 206
},
{
"id": "jvasp-99320",
"created_at": "2022-09-04T14:36:33.584605Z",
"updated_at": "2022-09-04T14:36:33.584627Z",
"structure_string": "Ta4 Tl8 S22\n1.0\n7.873638 -0.011283 0.159596\n0.601221 8.470247 2.689875\n-0.022643 0.012141 13.340963\nTa Tl S\n4 8 22\ndirect\n0.879828 0.634648 0.696581 Ta\n0.665435 0.892989 0.809564 Ta\n0.334566 0.107011 0.190436 Ta\n0.120172 0.365353 0.303418 Ta\n0.750064 0.580854 0.417967 Tl\n0.064851 0.762494 0.977738 Tl\n0.502607 0.718158 0.115876 Tl\n0.497393 0.281842 0.884124 Tl\n0.778986 0.032406 0.429297 Tl\n0.221015 0.967594 0.570702 Tl\n0.249937 0.419147 0.582033 Tl\n0.935150 0.237507 0.022262 Tl\n0.728825 0.600608 0.889866 S\n0.591418 0.926191 0.252400 S\n0.408582 0.073810 0.747600 S\n0.962631 0.870293 0.745893 S\n0.037369 0.129708 0.254106 S\n0.989629 0.292910 0.466055 S\n0.471856 0.683164 0.882013 S\n0.728837 0.962179 0.956196 S\n0.271164 0.037822 0.043804 S\n0.363472 0.856158 0.333467 S\n0.636528 0.143843 0.666533 S\n0.396463 0.437779 0.347956 S\n0.603537 0.562221 0.652044 S\n0.113179 0.488119 0.814119 S\n0.886821 0.511882 0.185881 S\n0.042304 0.651244 0.244001 S\n0.957697 0.348756 0.755999 S\n0.391326 0.194797 0.369628 S\n0.608674 0.805203 0.630372 S\n0.010371 0.707090 0.533945 S\n0.528145 0.316836 0.117987 S\n0.271175 0.399392 0.110134 S\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"S"
],
"chemical_system": "S-Ta-Tl",
"density": 5.719860886415762,
"density_atomic": 0.03821956298139263,
"volume": 889.5967757808495,
"volume_molar": 15.756697068807162,
"formula_full": "Ta4 Tl8 S22",
"formula_reduced": "Ta2Tl4S11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.2984475764705885,
"spacegroup": 2
},
{
"id": "jvasp-99319",
"created_at": "2022-09-04T14:36:33.179711Z",
"updated_at": "2022-09-04T14:36:33.179727Z",
"structure_string": "Ba4 Mg4 P8 O28\n1.0\n5.524589 0.000000 -0.134991\n0.000000 8.610378 0.000000\n-0.019593 0.000000 12.631414\nBa Mg P O\n4 4 8 28\ndirect\n0.739785 0.367786 0.793017 Ba\n0.239785 0.132214 0.293017 Ba\n0.760216 0.867786 0.706983 Ba\n0.260216 0.632214 0.206983 Ba\n0.208568 0.660250 0.876430 Mg\n0.791433 0.339750 0.123570 Mg\n0.708568 0.839750 0.376430 Mg\n0.291433 0.160250 0.623570 Mg\n0.714010 0.685384 0.015414 P\n0.265549 0.556962 0.664332 P\n0.285991 0.314616 0.984586 P\n0.765548 0.943039 0.164332 P\n0.734452 0.443039 0.335667 P\n0.234452 0.056961 0.835667 P\n0.214010 0.814616 0.515414 P\n0.785991 0.185384 0.484586 P\n0.556017 0.368375 0.253828 O\n0.705741 0.079965 0.392430 O\n0.794260 0.579965 0.107570 O\n0.294260 0.920035 0.607570 O\n0.205741 0.420035 0.892430 O\n0.943984 0.868376 0.246172 O\n0.509619 0.908969 0.201520 O\n0.800100 0.860184 0.050539 O\n0.990382 0.408969 0.298480 O\n0.490382 0.091031 0.798480 O\n0.009619 0.591031 0.701519 O\n0.061851 0.185256 0.498582 O\n0.438150 0.685256 0.001417 O\n0.938150 0.814744 0.501417 O\n0.561851 0.314744 0.998582 O\n0.828332 0.112413 0.149535 O\n0.443984 0.631625 0.746172 O\n0.671669 0.612413 0.350465 O\n0.328332 0.387587 0.649535 O\n0.654043 0.155730 0.587165 O\n0.845958 0.655731 0.912835 O\n0.345958 0.844270 0.412835 O\n0.154042 0.344270 0.087165 O\n0.300100 0.639817 0.550539 O\n0.199901 0.139817 0.949461 O\n0.699901 0.360184 0.449461 O\n0.171669 0.887587 0.850464 O\n0.056017 0.131625 0.753828 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"P",
"O"
],
"chemical_system": "Ba-Mg-O-P",
"density": 3.7097223457260537,
"density_atomic": 0.07323100184094607,
"volume": 600.8384276315885,
"volume_molar": 8.223485420942044,
"formula_full": "Ba4 Mg4 P8 O28",
"formula_reduced": "BaMgP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.1343318654545453,
"spacegroup": 14
},
{
"id": "jvasp-99318",
"created_at": "2022-09-04T14:36:32.820433Z",
"updated_at": "2022-09-04T14:36:32.820455Z",
"structure_string": "Er4 Pt4 F28\n1.0\n5.375335 0.000000 0.000000\n0.000000 8.304495 -2.592377\n0.000000 0.054789 11.046861\nEr Pt F\n4 4 28\ndirect\n0.236795 0.423128 0.236705 Er\n0.736795 0.076872 0.263295 Er\n0.263204 0.923127 0.736705 Er\n0.763204 0.576872 0.763295 Er\n0.259595 0.270896 0.541668 Pt\n0.759594 0.229104 0.958332 Pt\n0.740405 0.729104 0.458332 Pt\n0.240405 0.770896 0.041668 Pt\n0.900642 0.304079 0.269174 F\n0.953528 0.350286 0.635668 F\n0.099357 0.695920 0.730825 F\n0.599356 0.804079 0.769174 F\n0.559591 0.575357 0.321156 F\n0.059591 0.924642 0.178843 F\n0.440408 0.424642 0.678843 F\n0.940408 0.075358 0.821156 F\n0.453529 0.149714 0.864331 F\n0.400643 0.195920 0.230826 F\n0.571427 0.386406 0.089917 F\n0.246709 0.432132 0.449936 F\n0.071428 0.113594 0.410083 F\n0.428572 0.613593 0.910083 F\n0.928571 0.886406 0.589917 F\n0.575998 0.192822 0.456826 F\n0.075998 0.307178 0.043174 F\n0.424001 0.807178 0.543174 F\n0.046471 0.649713 0.364331 F\n0.924001 0.692822 0.956825 F\n0.709137 0.886202 0.363149 F\n0.790862 0.386202 0.863149 F\n0.290862 0.113798 0.636850 F\n0.253291 0.932132 0.949936 F\n0.753290 0.567867 0.550063 F\n0.746708 0.067868 0.050064 F\n0.209137 0.613798 0.136850 F\n0.546471 0.850286 0.135668 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Er",
"Pt",
"F"
],
"chemical_system": "Er-F-Pt",
"density": 6.661557671912634,
"density_atomic": 0.07289084319384802,
"volume": 493.889196812562,
"volume_molar": 8.261861841801643,
"formula_full": "Er4 Pt4 F28",
"formula_reduced": "ErPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.086923708611111,
"spacegroup": 14
},
{
"id": "jvasp-99317",
"created_at": "2022-09-04T14:36:35.262678Z",
"updated_at": "2022-09-04T14:36:35.262702Z",
"structure_string": "La1 Al2 Ag3\n1.0\n5.803077 -0.000000 -0.000000\n-2.901538 5.025612 0.000000\n-0.000000 -0.000000 4.219880\nLa Al Ag\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666666 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-La",
"density": 6.968662848420266,
"density_atomic": 0.048753282323606574,
"volume": 123.06863690067429,
"volume_molar": 12.35227757595318,
"formula_full": "La1 Al2 Ag3",
"formula_reduced": "LaAl2Ag3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7755320633333334,
"spacegroup": 191
},
{
"id": "jvasp-99315",
"created_at": "2022-09-04T14:36:32.266994Z",
"updated_at": "2022-09-04T14:36:32.267008Z",
"structure_string": "La2 B4 Rh5\n1.0\n4.985445 -0.000000 2.423938\n2.492723 5.041893 1.211969\n0.006413 -0.000000 6.325698\nLa B Rh\n2 4 5\ndirect\n0.143213 0.000000 0.713575 La\n0.856788 0.000000 0.286426 La\n0.208477 0.323291 0.259755 B\n0.791523 0.676708 0.740246 B\n0.468232 0.323291 0.740245 B\n0.531768 0.676708 0.259755 B\n0.250000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n-0.000000 0.500000 0.000000 Rh\n0.750000 0.500000 0.500000 Rh\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"B",
"Rh"
],
"chemical_system": "B-La-Rh",
"density": 8.730648747533154,
"density_atomic": 0.06921509177732972,
"volume": 158.9248777620327,
"volume_molar": 8.700618037715952,
"formula_full": "La2 B4 Rh5",
"formula_reduced": "La2B4Rh5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 3.914170484848485,
"spacegroup": 69
},
{
"id": "jvasp-99314",
"created_at": "2022-09-04T14:36:32.280374Z",
"updated_at": "2022-09-04T14:36:32.280405Z",
"structure_string": "Ca4 Cu4 P8 O28\n1.0\n5.249704 0.000000 -0.115806\n0.000000 8.063472 0.000000\n0.016553 0.000000 12.304961\nCa Cu P O\n4 4 8 28\ndirect\n0.786985 0.179746 0.777623 Ca\n0.713013 0.679746 0.722376 Ca\n0.286986 0.320254 0.277623 Ca\n0.213013 0.820254 0.222376 Ca\n0.796424 0.139439 0.110661 Cu\n0.703575 0.639439 0.389338 Cu\n0.203575 0.860561 0.889338 Cu\n0.296424 0.360561 0.610661 Cu\n0.756676 0.526584 0.161959 P\n0.743322 0.026585 0.338040 P\n0.243322 0.473415 0.838041 P\n0.312286 0.201012 0.986335 P\n0.187713 0.701011 0.513665 P\n0.687713 0.798988 0.013665 P\n0.812286 0.298988 0.486335 P\n0.256677 0.973415 0.661959 P\n0.348863 0.604351 0.599611 O\n0.431669 0.375255 0.768001 O\n0.068330 0.875255 0.731999 O\n0.568329 0.624745 0.231999 O\n0.931669 0.124745 0.268000 O\n0.151136 0.104351 0.900389 O\n0.718640 0.319682 0.600672 O\n0.154411 0.150229 0.654160 O\n0.781358 0.819682 0.899327 O\n0.281359 0.680318 0.399327 O\n0.218640 0.180318 0.100672 O\n0.599215 0.165854 0.969572 O\n0.900783 0.665854 0.530427 O\n0.400784 0.834146 0.030427 O\n0.099216 0.334146 0.469572 O\n0.968223 0.459509 0.798157 O\n0.651136 0.395649 0.400389 O\n0.531775 0.959509 0.701843 O\n0.468223 0.040490 0.298157 O\n0.262722 0.395439 0.958196 O\n0.237277 0.895439 0.541804 O\n0.737277 0.604560 0.041804 O\n0.762721 0.104560 0.458196 O\n0.654411 0.349771 0.154160 O\n0.845587 0.849771 0.345839 O\n0.345588 0.650229 0.845839 O\n0.031776 0.540490 0.201843 O\n0.848863 0.895649 0.099611 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"P",
"O"
],
"chemical_system": "Ca-Cu-O-P",
"density": 3.5393816838525285,
"density_atomic": 0.08447002998804283,
"volume": 520.894807379948,
"volume_molar": 7.12932238907985,
"formula_full": "Ca4 Cu4 P8 O28",
"formula_reduced": "CaCuP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.206174215454545,
"spacegroup": 14
},
{
"id": "jvasp-99313",
"created_at": "2022-09-04T14:36:31.863129Z",
"updated_at": "2022-09-04T14:36:31.863150Z",
"structure_string": "Na4 Er4 P16 O48\n1.0\n7.167550 -0.002679 0.000000\n-0.118782 9.630544 0.000000\n0.000000 0.000000 12.984137\nNa Er P O\n4 4 16 48\ndirect\n0.499929 0.060918 0.779228 Na\n-0.000071 0.560918 0.720773 Na\n0.500071 0.939081 0.220773 Na\n0.000071 0.439081 0.279227 Na\n0.986136 0.023594 0.216146 Er\n0.513864 0.476406 0.716146 Er\n0.013864 0.976406 0.783854 Er\n0.486136 0.523594 0.283854 Er\n0.150123 0.305422 0.870075 P\n0.650123 0.805421 0.629925 P\n0.849878 0.694578 0.129925 P\n0.375266 0.761628 0.884800 P\n0.749443 0.246356 0.896448 P\n0.750557 0.253644 0.396448 P\n0.730806 0.800663 0.408700 P\n0.250557 0.753643 0.103552 P\n0.124735 0.738372 0.384800 P\n0.230806 0.300663 0.091300 P\n0.269195 0.199337 0.591300 P\n0.769195 0.699337 0.908701 P\n0.249443 0.746356 0.603552 P\n0.624735 0.238372 0.115200 P\n0.875266 0.261628 0.615201 P\n0.349877 0.194578 0.370075 P\n0.413282 0.205532 0.079892 O\n0.433243 0.294398 0.609398 O\n0.727123 0.893276 0.715469 O\n0.272878 0.106723 0.284532 O\n0.129332 0.854202 0.308571 O\n0.370668 0.645798 0.808571 O\n0.870668 0.145798 0.691430 O\n0.629332 0.354202 0.191430 O\n0.913282 0.705532 0.420108 O\n0.586718 0.794467 0.920108 O\n0.086718 0.294468 0.579892 O\n0.227123 0.393277 0.784532 O\n0.205315 0.602505 0.352801 O\n0.930668 0.339119 0.870853 O\n0.787153 0.093273 0.891861 O\n0.287154 0.593273 0.608140 O\n0.212847 0.906726 0.108140 O\n0.909351 0.202315 0.330996 O\n0.590649 0.297685 0.830996 O\n0.090649 0.797685 0.669004 O\n0.712847 0.406727 0.391861 O\n0.409351 0.702315 0.169004 O\n0.236880 0.082420 0.665486 O\n0.736880 0.582420 0.834514 O\n0.763121 0.917579 0.334514 O\n0.705315 0.102505 0.147199 O\n0.794685 0.397494 0.647199 O\n0.294685 0.897494 0.852801 O\n0.263120 0.417580 0.165486 O\n0.430668 0.839119 0.629148 O\n0.566757 0.705601 0.390602 O\n0.933243 0.794398 0.890602 O\n0.569332 0.160880 0.370853 O\n0.216688 0.797992 0.487646 O\n0.283313 0.702007 0.987646 O\n0.783313 0.202008 0.512354 O\n0.716687 0.297992 0.012354 O\n0.780918 0.629866 0.021988 O\n0.772878 0.606723 0.215469 O\n0.719082 0.870133 0.521988 O\n0.280918 0.129866 0.478013 O\n0.323698 0.348306 0.368941 O\n0.176303 0.151693 0.868942 O\n0.676303 0.651693 0.631059 O\n0.823698 0.848306 0.131059 O\n0.066757 0.205602 0.109398 O\n0.219082 0.370134 0.978013 O\n0.069332 0.660880 0.129147 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Na",
"Er",
"P",
"O"
],
"chemical_system": "Er-Na-O-P",
"density": 3.7509753389052602,
"density_atomic": 0.0803340862656353,
"volume": 896.2571599049805,
"volume_molar": 7.4963705195911405,
"formula_full": "Na4 Er4 P16 O48",
"formula_reduced": "NaEr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.755947388888889,
"spacegroup": 14
}
]
}