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=4345",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4343",
"results": [
{
"id": "jvasp-57442",
"created_at": "2022-09-04T14:37:31.532243Z",
"updated_at": "2022-09-04T14:37:31.532259Z",
"structure_string": "Nd4 Cu2 Ge4 O16\n1.0\n5.199462 0.013888 -0.000125\n-0.122966 8.442519 -0.000252\n-2.538125 -4.227915 7.746059\nNd Cu Ge O\n4 2 4 16\ndirect\n0.348949 0.638482 0.758468 Nd\n0.580697 0.377074 0.240087 Nd\n0.340626 0.136988 0.759917 Nd\n0.590475 0.880014 0.241532 Nd\n0.771108 0.760866 0.586692 Cu\n0.184400 0.174165 0.413301 Cu\n0.772186 0.305839 0.578872 Ge\n0.922280 0.504000 0.000004 Ge\n0.004793 0.000819 -0.000003 Ge\n0.193315 0.726970 0.421132 Ge\n0.223103 0.838042 -0.000003 O\n0.891375 0.089876 0.187451 O\n0.825086 0.677385 0.343456 O\n0.386038 0.929842 0.466568 O\n0.229163 0.595885 0.184934 O\n0.147530 0.837358 0.651772 O\n0.481631 0.333930 0.656546 O\n0.716149 0.669973 0.000002 O\n0.044229 0.410953 0.815070 O\n0.495751 0.185588 0.348230 O\n0.213793 0.170932 0.000000 O\n0.919473 0.463272 0.533433 O\n0.716639 0.333971 0.000004 O\n0.938673 0.108614 0.517266 O\n0.703926 0.902429 0.812542 O\n0.421413 0.591353 0.482739 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Nd-O",
"density": 6.107360418570125,
"density_atomic": 0.07646378018767408,
"volume": 340.03027232220444,
"volume_molar": 7.875808317636335,
"formula_full": "Nd4 Cu2 Ge4 O16",
"formula_reduced": "Nd2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.0581056423076927,
"spacegroup": 8
},
{
"id": "jvasp-21468",
"created_at": "2022-09-04T14:37:34.123352Z",
"updated_at": "2022-09-04T14:37:34.123366Z",
"structure_string": "Nd2 P6 O18\n1.0\n7.080709 0.006610 -0.000000\n-1.856778 6.832925 -0.000000\n-0.000000 -0.000000 7.306774\nNd P O\n2 6 18\ndirect\n0.123469 0.123469 0.250000 Nd\n0.876530 0.876530 0.750000 Nd\n0.747975 0.747975 0.250000 P\n0.252024 0.252024 0.750000 P\n0.313872 0.664241 0.205273 P\n0.686128 0.335758 0.705273 P\n0.664241 0.313872 0.294727 P\n0.335758 0.686127 0.794726 P\n0.175372 0.785888 0.788904 O\n0.824628 0.214111 0.288904 O\n0.785889 0.175372 0.711095 O\n0.214111 0.824627 0.211095 O\n0.132606 0.174831 0.918585 O\n0.253597 0.471360 0.704299 O\n0.825169 0.867393 0.081414 O\n0.624196 0.375804 0.500000 O\n0.375804 0.624195 0.000000 O\n0.471550 0.217022 0.210632 O\n0.528450 0.782977 0.710632 O\n0.217022 0.471550 0.289367 O\n0.782978 0.528450 0.789367 O\n0.528640 0.746402 0.295701 O\n0.471360 0.253597 0.795700 O\n0.746402 0.528640 0.204299 O\n0.174831 0.132606 0.581414 O\n0.867394 0.825169 0.418586 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nd",
"P",
"O"
],
"chemical_system": "Nd-O-P",
"density": 3.5798495260693945,
"density_atomic": 0.0735282309729703,
"volume": 353.605678471414,
"volume_molar": 8.190242958808295,
"formula_full": "Nd2 P6 O18",
"formula_reduced": "Nd(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.8488807307692308,
"spacegroup": 20
},
{
"id": "jvasp-46540",
"created_at": "2022-09-04T14:37:27.301382Z",
"updated_at": "2022-09-04T14:37:27.301403Z",
"structure_string": "Mg4 Mn6 O16\n1.0\n2.899860 5.694973 0.000000\n-2.899860 5.694973 0.000000\n0.000000 0.000000 8.341550\nMg Mn O\n4 6 16\ndirect\n0.143663 0.143663 0.607210 Mg\n0.356336 0.356336 0.107210 Mg\n0.643663 0.643663 0.892790 Mg\n0.856336 0.856336 0.392790 Mg\n0.870801 0.370801 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.629199 0.129199 0.750000 Mn\n0.129199 0.629199 0.750000 Mn\n0.370801 0.870801 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000380 -0.000380 0.235015 O\n0.883511 0.344982 0.025862 O\n0.655017 0.116489 0.974138 O\n0.500380 0.500380 0.735015 O\n0.725478 0.725478 0.238086 O\n0.499620 0.499620 0.264985 O\n0.774521 0.774521 0.738086 O\n0.116489 0.655017 0.974138 O\n0.274522 0.274522 0.761914 O\n0.000380 0.000380 0.764985 O\n0.344982 0.883511 0.025862 O\n0.616489 0.155017 0.525862 O\n0.383511 0.844982 0.474138 O\n0.155017 0.616489 0.525862 O\n0.225478 0.225478 0.261914 O\n0.844982 0.383511 0.474138 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.115491900979282,
"density_atomic": 0.09436868299439655,
"volume": 275.51513039070215,
"volume_molar": 6.381503448932932,
"formula_full": "Mg4 Mn6 O16",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.695245217241379,
"spacegroup": 64
},
{
"id": "jvasp-24023",
"created_at": "2022-09-04T14:37:34.297274Z",
"updated_at": "2022-09-04T14:37:34.297306Z",
"structure_string": "K2 B12 H12\n1.0\n6.407801 -0.000000 3.699546\n2.135934 6.041333 3.699546\n-0.000000 -0.000000 7.399091\nK B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.222298 0.777701 0.946594 B\n0.053406 0.777701 0.222299 B\n0.222298 0.946593 0.053408 B\n0.053407 0.222298 0.946593 B\n0.946593 0.053407 0.222299 B\n0.777701 0.222298 0.053407 B\n0.946593 0.777701 0.053408 B\n0.777701 0.946593 0.222300 B\n0.053406 0.946593 0.777702 B\n0.222299 0.053407 0.777702 B\n0.946593 0.222298 0.777702 B\n0.777701 0.053407 0.946594 B\n0.095057 0.620404 0.379597 H\n0.379596 0.904942 0.095058 H\n0.095057 0.379596 0.904943 H\n0.904943 0.095057 0.379597 H\n0.620404 0.379596 0.095058 H\n0.904943 0.620404 0.095058 H\n0.620404 0.904942 0.379597 H\n0.095057 0.904942 0.620405 H\n0.379596 0.095057 0.620404 H\n0.620404 0.095057 0.904943 H\n0.379596 0.620404 0.904944 H\n0.904943 0.379596 0.620405 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.275553729966429,
"density_atomic": 0.09077226840006716,
"volume": 286.43109242801256,
"volume_molar": 6.6343398332387,
"formula_full": "K2 B12 H12",
"formula_reduced": "K(BH)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.880834115384616,
"spacegroup": 202
},
{
"id": "jvasp-12076",
"created_at": "2022-09-04T14:37:17.690398Z",
"updated_at": "2022-09-04T14:37:17.690417Z",
"structure_string": "In2 I6 O18\n1.0\n7.321386 -0.001216 0.870199\n0.772752 7.280492 0.870199\n-0.001352 -0.001216 7.372920\nIn I O\n2 6 18\ndirect\n0.823501 0.823499 0.823501 In\n0.176500 0.176499 0.176500 In\n0.286512 0.874022 0.587606 I\n0.412394 0.713488 0.125978 I\n0.125978 0.412393 0.713489 I\n0.713489 0.125977 0.412394 I\n0.587607 0.286511 0.874023 I\n0.874023 0.587605 0.286512 I\n0.427572 0.307461 0.086886 O\n0.692539 0.913114 0.572428 O\n0.913115 0.572427 0.692539 O\n0.572428 0.692538 0.913115 O\n0.064114 0.956297 0.706022 O\n0.213008 0.732229 0.425303 O\n0.935887 0.043701 0.293979 O\n0.043702 0.293978 0.935886 O\n0.293979 0.935886 0.043702 O\n0.086886 0.427572 0.307462 O\n0.307462 0.086885 0.427572 O\n0.574697 0.786992 0.267771 O\n0.267771 0.574696 0.786992 O\n0.786993 0.267770 0.574697 O\n0.425303 0.213007 0.732229 O\n0.732230 0.425302 0.213008 O\n0.706022 0.064113 0.956298 O\n0.956298 0.706021 0.064114 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"In",
"I",
"O"
],
"chemical_system": "I-In-O",
"density": 5.404045167561044,
"density_atomic": 0.06615383303769919,
"volume": 393.0233337376436,
"volume_molar": 9.103237837432872,
"formula_full": "In2 I6 O18",
"formula_reduced": "In(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 1.8642038688461535,
"spacegroup": 148
},
{
"id": "jvasp-49715",
"created_at": "2022-09-04T14:37:16.762400Z",
"updated_at": "2022-09-04T14:37:16.762425Z",
"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912861 -5.045224 -0.000000\n2.912861 5.045224 0.000000\n0.000000 0.000000 10.124470\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.013829 Sc\n0.333333 0.666667 0.513829 Sc\n0.666667 0.333333 0.452784 Zn\n0.333333 0.666667 0.952784 Zn\n0.855664 0.144336 0.751027 Mo\n0.144336 0.288672 0.251027 Mo\n0.711328 0.855664 0.251027 Mo\n0.144336 0.855664 0.251027 Mo\n0.288672 0.144336 0.751027 Mo\n0.855664 0.711328 0.751027 Mo\n0.489450 0.978900 0.366215 O\n0.666667 0.333333 0.647540 O\n0.333333 0.666667 0.147540 O\n0.000000 0.000000 0.891510 O\n0.000000 0.000000 0.391510 O\n0.510549 0.021099 0.866215 O\n0.021099 0.510549 0.366215 O\n0.165017 0.330034 0.628602 O\n0.165017 0.834983 0.628602 O\n0.330034 0.165017 0.128602 O\n0.834983 0.669966 0.128602 O\n0.489450 0.510549 0.366215 O\n0.669966 0.834983 0.628602 O\n0.834983 0.165017 0.128602 O\n0.510549 0.489450 0.866215 O\n0.978900 0.489450 0.866215 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sc",
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc-Zn",
"density": 5.872337595470454,
"density_atomic": 0.08737171100662826,
"volume": 297.57915577534663,
"volume_molar": 6.892552166619632,
"formula_full": "Sc2 Zn2 Mo6 O16",
"formula_reduced": "ScZnMo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.4362677961538464,
"spacegroup": 186
},
{
"id": "jvasp-27330",
"created_at": "2022-09-04T14:37:17.226240Z",
"updated_at": "2022-09-04T14:37:17.226257Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.483823 -0.000000 0.000000\n0.000000 6.483823 0.000000\n0.000000 0.000000 10.067696\nRb Na Co O\n4 8 4 10\ndirect\n0.302179 0.302179 0.000000 Rb\n0.197821 0.802179 0.500000 Rb\n0.802179 0.197821 0.500000 Rb\n0.697820 0.697820 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776204 Na\n0.000000 0.500000 0.250000 Na\n0.500000 0.500000 0.276204 Na\n0.500000 0.500000 0.723797 Na\n0.000000 0.000000 0.223797 Na\n0.500000 0.000000 0.250000 Na\n0.289882 0.289882 0.500000 Co\n0.210118 0.789881 0.000000 Co\n0.710118 0.710118 0.500000 Co\n0.789881 0.210118 0.000000 Co\n0.277206 0.722793 0.169153 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722793 0.277206 0.830848 O\n0.277206 0.722793 0.830848 O\n0.222794 0.222794 0.330847 O\n0.777206 0.777206 0.669153 O\n0.222794 0.222794 0.669153 O\n0.722793 0.277206 0.169153 O\n0.777206 0.777206 0.330847 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O-Rb",
"density": 3.615427409977906,
"density_atomic": 0.061430061959162,
"volume": 423.245544132521,
"volume_molar": 9.803247087726282,
"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
"formula_anonymous": "A2B2C4D5",
"energy_above_hull": 1.2135681000000005,
"spacegroup": 136
},
{
"id": "jvasp-26756",
"created_at": "2022-09-04T14:37:26.860626Z",
"updated_at": "2022-09-04T14:37:26.860652Z",
"structure_string": "Al2 I6 O18\n1.0\n4.510520 -7.812450 -0.000000\n4.510520 7.812450 0.000000\n0.000000 0.000000 5.190207\nAl I O\n2 6 18\ndirect\n0.333333 0.666667 0.085612 Al\n0.666667 0.333333 0.585612 Al\n0.335340 0.312341 0.217169 I\n0.664660 0.687659 0.717170 I\n0.022997 0.335340 0.717170 I\n0.977003 0.664660 0.217169 I\n0.312341 0.977003 0.717170 I\n0.687659 0.022997 0.217169 I\n0.046476 0.216033 0.979205 O\n0.714580 0.519285 0.811021 O\n0.953524 0.783968 0.479204 O\n0.422348 0.869989 0.877038 O\n0.552359 0.422348 0.377037 O\n0.830442 0.046476 0.479204 O\n0.447641 0.577652 0.877038 O\n0.169558 0.953524 0.979205 O\n0.480715 0.195295 0.811021 O\n0.577652 0.130011 0.377037 O\n0.804705 0.285420 0.811021 O\n0.869989 0.447641 0.377037 O\n0.195295 0.714580 0.311020 O\n0.285420 0.480715 0.311020 O\n0.519285 0.804705 0.311020 O\n0.130011 0.552359 0.877038 O\n0.216033 0.169558 0.479204 O\n0.783967 0.830442 0.979205 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Al",
"I",
"O"
],
"chemical_system": "Al-I-O",
"density": 5.0089340232866855,
"density_atomic": 0.0710795728912829,
"volume": 365.7872289098772,
"volume_molar": 8.472393002713929,
"formula_full": "Al2 I6 O18",
"formula_reduced": "Al(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.0466940865384617,
"spacegroup": 173
},
{
"id": "jvasp-21824",
"created_at": "2022-09-04T14:37:30.578901Z",
"updated_at": "2022-09-04T14:37:30.578929Z",
"structure_string": "Yb2 Al20 Fe4\n1.0\n6.784373 -0.009302 -0.000000\n-0.848409 6.731122 0.000000\n0.000000 0.000000 9.009835\nYb Al Fe\n2 20 4\ndirect\n0.122906 0.877094 0.750000 Yb\n0.877093 0.122906 0.250000 Yb\n0.626648 0.373352 0.455106 Al\n0.373352 0.626648 0.955106 Al\n0.156235 0.843765 0.096337 Al\n0.843764 0.156235 0.596336 Al\n0.843764 0.156235 0.903663 Al\n0.156235 0.843765 0.403663 Al\n0.780857 0.525534 0.750000 Al\n0.525534 0.780858 0.250000 Al\n0.227511 0.227512 0.500000 Al\n0.134022 0.416552 0.750000 Al\n0.865978 0.583448 0.250000 Al\n0.416552 0.134022 0.250000 Al\n0.583447 0.865978 0.750000 Al\n0.626648 0.373352 0.044893 Al\n0.373352 0.626648 0.544893 Al\n0.227511 0.227512 0.000000 Al\n0.772488 0.772488 0.500000 Al\n0.772488 0.772488 0.000000 Al\n0.474466 0.219142 0.750000 Al\n0.219142 0.474466 0.250000 Al\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Yb",
"density": 4.476898333117715,
"density_atomic": 0.06320251940826642,
"volume": 411.3760059476267,
"volume_molar": 9.52832389655079,
"formula_full": "Yb2 Al20 Fe4",
"formula_reduced": "Yb(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.1449822846153843,
"spacegroup": 63
},
{
"id": "jvasp-42825",
"created_at": "2022-09-04T14:37:30.533634Z",
"updated_at": "2022-09-04T14:37:30.533663Z",
"structure_string": "V6 P4 O16\n1.0\n0.000000 6.011900 0.053807\n4.805148 0.000000 0.000000\n0.000000 -0.218855 -10.484519\nV P O\n6 4 16\ndirect\n0.245618 0.489620 0.774581 V\n0.245619 0.010380 0.274581 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 -0.000000 V\n0.754381 0.989620 0.725419 V\n0.754381 0.510380 0.225419 V\n0.751210 0.075017 0.404521 P\n0.751209 0.424983 0.904521 P\n0.248789 0.924983 0.595479 P\n0.248790 0.575018 0.095479 P\n0.540647 0.268591 0.838321 O\n0.744512 0.314675 0.043339 O\n0.744511 0.185325 0.543339 O\n0.730360 0.756631 0.397588 O\n0.730360 0.743370 0.897588 O\n0.540647 0.231409 0.338321 O\n0.459352 0.731409 0.161678 O\n0.255488 0.685326 0.956661 O\n0.269640 0.256631 0.102412 O\n0.269639 0.243370 0.602412 O\n0.255488 0.814675 0.456661 O\n0.946974 0.306675 0.829295 O\n0.053025 0.693326 0.170705 O\n0.053025 0.806675 0.670705 O\n0.459352 0.768592 0.661678 O\n0.946975 0.193325 0.329295 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.759174597424335,
"density_atomic": 0.08585932401578653,
"volume": 302.82092595114665,
"volume_molar": 7.013962465966699,
"formula_full": "V6 P4 O16",
"formula_reduced": "V3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.4583785846153847,
"spacegroup": 14
},
{
"id": "jvasp-27666",
"created_at": "2022-09-04T14:37:27.310383Z",
"updated_at": "2022-09-04T14:37:27.310415Z",
"structure_string": "Ca4 Fe6 O16\n1.0\n2.916342 -5.051252 0.000000\n2.916342 5.051252 -0.000000\n0.000000 0.000000 10.463000\nCa Fe O\n4 6 16\ndirect\n0.333333 0.666667 0.023440 Ca\n0.666667 0.333333 0.523440 Ca\n0.333333 0.666667 0.440044 Ca\n0.666667 0.333333 0.940044 Ca\n0.327108 0.163554 0.246396 Fe\n0.163554 0.836446 0.746396 Fe\n0.163554 0.327108 0.746396 Fe\n0.672892 0.836446 0.746396 Fe\n0.836446 0.672892 0.246396 Fe\n0.836446 0.163554 0.246396 Fe\n0.520640 0.479359 0.344564 O\n0.479359 0.958718 0.844564 O\n0.666667 0.333333 0.154280 O\n0.000000 0.000000 0.840392 O\n0.000000 0.000000 0.340392 O\n0.479359 0.520640 0.844564 O\n0.520640 0.041281 0.344564 O\n0.847990 0.152009 0.654156 O\n0.304019 0.152009 0.654156 O\n0.152009 0.304019 0.154156 O\n0.152009 0.847990 0.154156 O\n0.958718 0.479359 0.344564 O\n0.847990 0.695980 0.654156 O\n0.695980 0.847990 0.154156 O\n0.041281 0.520640 0.844564 O\n0.333333 0.666667 0.654280 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.047441932949941,
"density_atomic": 0.08434311550583048,
"volume": 308.2646383652104,
"volume_molar": 7.1400501675607435,
"formula_full": "Ca4 Fe6 O16",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.564611949230769,
"spacegroup": 186
},
{
"id": "jvasp-45360",
"created_at": "2022-09-04T14:37:09.861957Z",
"updated_at": "2022-09-04T14:37:09.861994Z",
"structure_string": "Na16 Ti2 As8\n1.0\n8.416354 -0.000000 4.859184\n2.805452 7.935015 4.859184\n-0.000000 -0.000000 9.718368\nNa Ti As\n16 2 8\ndirect\n-0.000000 0.500000 -0.000000 Na\n0.155647 0.155647 0.594353 Na\n0.155647 0.594353 0.155647 Na\n0.594353 0.155647 0.594353 Na\n0.594353 0.155647 0.155647 Na\n0.405647 0.405647 0.844353 Na\n0.844353 0.405647 0.405647 Na\n0.405647 0.844352 0.405647 Na\n0.155647 0.594353 0.594353 Na\n0.405647 0.844352 0.844353 Na\n0.594353 0.594353 0.155647 Na\n0.844353 0.844352 0.405647 Na\n0.844353 0.405647 0.844353 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.875000 0.875000 0.875000 Ti\n0.125000 0.125000 0.125000 Ti\n0.230374 0.230374 0.808878 As\n0.230374 0.808878 0.230374 As\n0.808878 0.230374 0.230374 As\n0.769625 0.191122 0.769626 As\n0.191122 0.769625 0.769626 As\n0.769625 0.769625 0.191122 As\n0.230374 0.230374 0.230374 As\n0.769625 0.769625 0.769626 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"Ti",
"As"
],
"chemical_system": "As-Na-Ti",
"density": 2.7195311126110004,
"density_atomic": 0.040059752487691856,
"volume": 649.0304703701892,
"volume_molar": 15.032895577301108,
"formula_full": "Na16 Ti2 As8",
"formula_reduced": "Na8TiAs4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.6579790256410258,
"spacegroup": 227
}
]
}