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=4357",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4355",
"results": [
{
"id": "jvasp-49659",
"created_at": "2022-09-04T14:36:35.600430Z",
"updated_at": "2022-09-04T14:36:35.600461Z",
"structure_string": "Nb4 Co4 O18\n1.0\n2.416378 -4.185289 -0.000000\n2.416378 4.185289 0.000000\n0.000000 0.000000 14.315733\nNb Co O\n4 4 18\ndirect\n0.000000 0.000000 0.341248 Nb\n0.000000 0.000000 0.841248 Nb\n0.000000 0.000000 0.152872 Nb\n0.000000 0.000000 0.652872 Nb\n0.333333 0.666668 0.997136 Co\n0.333333 0.666668 0.497136 Co\n0.666668 0.333333 0.997136 Co\n0.666668 0.333333 0.497136 Co\n0.000003 0.352509 0.925563 O\n0.302970 0.303142 0.747163 O\n0.302970 0.999828 0.247163 O\n0.696859 0.697031 0.247163 O\n0.647492 0.647495 0.925563 O\n0.647601 -0.000003 0.068797 O\n0.000003 0.352400 0.568797 O\n0.352506 -0.000003 0.925563 O\n0.000003 0.647495 0.425563 O\n0.000003 0.647603 0.068797 O\n0.696859 0.999828 0.747163 O\n0.000173 0.697031 0.747163 O\n0.352397 -0.000003 0.568797 O\n0.647601 0.647604 0.568797 O\n0.000173 0.303142 0.247163 O\n0.647492 -0.000003 0.425563 O\n0.352506 0.352509 0.425563 O\n0.352397 0.352400 0.068797 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O",
"density": 5.134602314451869,
"density_atomic": 0.08979237059000596,
"volume": 289.55689474684436,
"volume_molar": 6.706739916130775,
"formula_full": "Nb4 Co4 O18",
"formula_reduced": "Nb2Co2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.577628623076924,
"spacegroup": 193
},
{
"id": "jvasp-25001",
"created_at": "2022-09-04T14:37:42.641870Z",
"updated_at": "2022-09-04T14:37:42.641893Z",
"structure_string": "Pr2 Ta6 O18\n1.0\n0.000000 5.460343 -0.004007\n7.609638 0.000000 0.000000\n0.000000 -0.349160 -8.256637\nPr Ta O\n2 6 18\ndirect\n0.966824 0.250000 0.565115 Pr\n0.033175 0.750000 0.434886 Pr\n0.526209 0.492789 0.300248 Ta\n0.526209 0.007211 0.300248 Ta\n0.473791 0.992789 0.699752 Ta\n0.000000 0.000000 0.000000 Ta\n0.473791 0.507211 0.699752 Ta\n0.000000 0.500000 0.000000 Ta\n0.267423 0.462034 0.466627 O\n0.732576 0.962034 0.533374 O\n0.317989 0.450029 0.120716 O\n0.557935 0.250000 0.689732 O\n0.846582 0.555430 0.213445 O\n0.442064 0.750000 0.310268 O\n0.846582 0.944571 0.213445 O\n0.087083 0.750000 0.984348 O\n0.267423 0.037966 0.466627 O\n0.682010 0.549971 0.879284 O\n0.153418 0.444571 0.786556 O\n0.647545 0.250000 0.338278 O\n0.352455 0.750000 0.661723 O\n0.153418 0.055430 0.786556 O\n0.317989 0.049971 0.120716 O\n0.682010 0.950029 0.879284 O\n0.732576 0.537966 0.533374 O\n0.912916 0.250000 0.015653 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 8.012638248123402,
"density_atomic": 0.07578316822277968,
"volume": 343.08409914412437,
"volume_molar": 7.946541298321972,
"formula_full": "Pr2 Ta6 O18",
"formula_reduced": "PrTa3O9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.865162226923077,
"spacegroup": 11
},
{
"id": "jvasp-19026",
"created_at": "2022-09-04T14:37:39.474606Z",
"updated_at": "2022-09-04T14:37:39.474636Z",
"structure_string": "Na16 Sn2 Sb8\n1.0\n9.076012 -0.000000 5.240038\n3.025338 8.556946 5.240038\n0.000000 0.000000 10.480076\nNa Sn Sb\n16 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.146805 0.603195 0.603195 Na\n0.396805 0.853195 0.853195 Na\n0.603195 0.146805 0.603195 Na\n0.146805 0.146805 0.603195 Na\n0.146805 0.603195 0.146805 Na\n0.396805 0.853195 0.396805 Na\n0.853195 0.396805 0.853195 Na\n0.603195 0.603195 0.146805 Na\n0.396805 0.396805 0.853195 Na\n0.853195 0.853195 0.396806 Na\n0.603195 0.146805 0.146806 Na\n0.853195 0.396805 0.396806 Na\n0.000000 0.500000 -0.000000 Na\n0.500000 0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.875000 0.875000 0.875001 Sn\n0.125000 0.125000 0.125000 Sn\n0.762574 0.762574 0.212280 Sb\n0.212280 0.762574 0.762574 Sb\n0.762574 0.212280 0.762574 Sb\n0.787720 0.237426 0.237426 Sb\n0.237426 0.787721 0.237426 Sb\n0.237426 0.237426 0.787721 Sb\n0.762574 0.762574 0.762574 Sb\n0.237426 0.237426 0.237426 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Sb"
],
"chemical_system": "Na-Sb-Sn",
"density": 3.222147612892341,
"density_atomic": 0.031944424110190335,
"volume": 813.913561575397,
"volume_molar": 18.851930901076802,
"formula_full": "Na16 Sn2 Sb8",
"formula_reduced": "Na8SnSb4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.0802483153846154,
"spacegroup": 227
},
{
"id": "jvasp-39018",
"created_at": "2022-09-04T14:37:55.971903Z",
"updated_at": "2022-09-04T14:37:55.971931Z",
"structure_string": "Zn6 P4 O16\n1.0\n0.000000 4.930331 0.039510\n9.314353 0.000000 0.000000\n0.000000 -4.899345 -6.524862\nZn P O\n6 4 16\ndirect\n0.832547 0.370621 0.840851 Zn\n0.167451 0.870621 0.659149 Zn\n0.167452 0.629379 0.159149 Zn\n0.832548 0.129379 0.340851 Zn\n0.000000 0.000000 0.000000 Zn\n-0.000001 0.500000 0.500000 Zn\n0.661641 0.816286 0.160649 P\n0.338358 0.316287 0.339351 P\n0.661641 0.683713 0.660649 P\n0.338357 0.183713 0.839351 P\n0.941221 0.678134 0.626899 O\n0.680680 0.120972 0.031668 O\n0.319319 0.620972 0.468331 O\n0.941222 0.821865 0.126899 O\n0.058777 0.321865 0.373101 O\n0.058776 0.178135 0.873101 O\n0.779769 0.912671 0.348248 O\n0.395209 0.159791 0.304556 O\n0.220230 0.087328 0.651752 O\n0.779768 0.587328 0.848248 O\n0.604790 0.659791 0.195444 O\n0.680679 0.379027 0.531668 O\n0.395209 0.340209 0.804556 O\n0.604789 0.840209 0.695444 O\n0.220230 0.412671 0.151752 O\n0.319319 0.879027 0.968331 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 4.306043018301349,
"density_atomic": 0.08729601064977222,
"volume": 297.83720706677957,
"volume_molar": 6.898529171236205,
"formula_full": "Zn6 P4 O16",
"formula_reduced": "Zn3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7814954,
"spacegroup": 14
},
{
"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-46759",
"created_at": "2022-09-04T14:38:03.973032Z",
"updated_at": "2022-09-04T14:38:03.973057Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 4.930511 0.132088\n6.304631 0.000000 0.000000\n0.000000 -0.575871 -8.505153\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.210838 0.750000 0.106568 Li\n0.736886 0.991805 0.259697 Li\n0.736886 0.508195 0.259697 Li\n0.263114 0.491805 0.740303 Li\n0.263114 0.008195 0.740303 Li\n0.789162 0.250000 0.893431 Li\n0.225886 0.250000 0.351970 Zn\n0.774114 0.750000 0.648029 Zn\n0.735260 0.250000 0.590252 P\n0.264739 0.750000 0.409747 P\n0.310599 0.250000 0.041603 C\n0.689401 0.750000 0.958397 C\n0.510210 0.750000 0.834278 O\n0.845614 0.059863 0.693349 O\n0.845614 0.440137 0.693349 O\n0.416879 0.250000 0.575975 O\n0.173140 0.750000 0.576770 O\n0.826860 0.250000 0.423229 O\n0.056702 0.250000 0.061634 O\n0.154386 0.559863 0.306651 O\n0.154386 0.940137 0.306651 O\n0.489790 0.250000 0.165721 O\n0.604455 0.750000 0.098545 O\n0.395545 0.250000 0.901454 O\n0.583121 0.750000 0.424024 O\n0.943298 0.750000 0.938365 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zn",
"density": 3.035520868998735,
"density_atomic": 0.09852083783016287,
"volume": 263.9035616487613,
"volume_molar": 6.112555366592995,
"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.3310608,
"spacegroup": 11
},
{
"id": "jvasp-45756",
"created_at": "2022-09-04T14:38:04.058576Z",
"updated_at": "2022-09-04T14:38:04.058601Z",
"structure_string": "Na6 Zn2 P2 C2 O14\n1.0\n0.000000 5.139280 -0.006815\n6.585838 0.000000 0.000000\n0.000000 0.007519 -8.994083\nNa Zn P C O\n6 2 2 2 14\ndirect\n0.241643 0.750000 0.085209 Na\n0.752735 0.000717 0.257800 Na\n0.752735 0.499283 0.257800 Na\n0.247265 0.500717 0.742200 Na\n0.247265 -0.000717 0.742200 Na\n0.758357 0.250000 0.914791 Na\n0.223541 0.250000 0.364987 Zn\n0.776459 0.750000 0.635013 Zn\n0.708431 0.250000 0.585390 P\n0.291569 0.750000 0.414610 P\n0.259756 0.250000 0.064098 C\n0.740244 0.750000 0.935902 C\n0.541318 0.750000 0.846370 O\n0.786433 0.062413 0.680152 O\n0.786433 0.437587 0.680152 O\n0.406420 0.250000 0.563496 O\n0.161284 0.750000 0.569349 O\n0.838716 0.250000 0.430651 O\n0.704205 0.750000 0.078808 O\n0.213567 0.562413 0.319848 O\n0.213567 0.937587 0.319848 O\n0.458682 0.250000 0.153630 O\n0.026838 0.250000 0.119048 O\n0.973162 0.750000 0.880952 O\n0.593580 0.750000 0.436504 O\n0.295795 0.250000 0.921192 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Zn",
"density": 3.156790125622078,
"density_atomic": 0.08540899567744795,
"volume": 304.41758264188604,
"volume_molar": 7.050944355724502,
"formula_full": "Na6 Zn2 P2 C2 O14",
"formula_reduced": "Na3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.938518261538463,
"spacegroup": 11
},
{
"id": "jvasp-36579",
"created_at": "2022-09-04T14:37:55.942390Z",
"updated_at": "2022-09-04T14:37:55.942406Z",
"structure_string": "Hf12 Zn12 N2\n1.0\n-5.977285 -5.977285 0.000000\n-5.977285 -0.000000 -5.977285\n0.000000 -5.977285 -5.977285\nHf Zn N\n12 12 2\ndirect\n0.810307 0.810307 0.189692 Hf\n0.560307 0.939692 0.560307 Hf\n0.189692 0.189692 0.810307 Hf\n0.810307 0.189692 0.189692 Hf\n0.560307 0.939692 0.939692 Hf\n0.810307 0.189692 0.810307 Hf\n0.189692 0.810307 0.189692 Hf\n0.189692 0.810307 0.810307 Hf\n0.939692 0.560307 0.939692 Hf\n0.939692 0.560307 0.560307 Hf\n0.560307 0.560307 0.939692 Hf\n0.939692 0.939692 0.560307 Hf\n0.167100 0.498701 0.167100 Zn\n0.375000 0.375000 0.874999 Zn\n0.375000 0.874999 0.375000 Zn\n0.874999 0.375000 0.375000 Zn\n0.375000 0.375000 0.375000 Zn\n0.167100 0.167100 0.498701 Zn\n0.167100 0.167100 0.167100 Zn\n0.498701 0.167100 0.167100 Zn\n0.582900 0.582900 0.251299 Zn\n0.582900 0.251299 0.582900 Zn\n0.251299 0.582900 0.582900 Zn\n0.582900 0.582900 0.582900 Zn\n0.000000 0.000000 0.000000 N\n0.749999 0.749999 0.749999 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"N"
],
"chemical_system": "Hf-N-Zn",
"density": 11.4877640468739,
"density_atomic": 0.06087394690648523,
"volume": 427.1121115235273,
"volume_molar": 9.892804830367304,
"formula_full": "Hf12 Zn12 N2",
"formula_reduced": "Hf6Zn6N",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.661855665384614,
"spacegroup": 227
},
{
"id": "jvasp-25640",
"created_at": "2022-09-04T14:37:42.836274Z",
"updated_at": "2022-09-04T14:37:42.836306Z",
"structure_string": "Li8 Ca2 B4 O12\n1.0\n3.454391 0.000000 0.000000\n0.000000 8.114311 0.000000\n0.000000 -0.000000 9.268582\nLi Ca B O\n8 2 4 12\ndirect\n0.500000 0.831130 0.952293 Li\n0.000000 0.331130 0.547706 Li\n0.500000 0.485970 0.697134 Li\n0.000000 0.014030 0.197134 Li\n0.500000 0.514030 0.302866 Li\n0.000000 0.668870 0.452293 Li\n0.500000 0.168870 0.047706 Li\n0.000000 0.985970 0.802866 Li\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.271721 0.289791 B\n0.500000 0.228279 0.789791 B\n0.500000 0.771721 0.210209 B\n0.000000 0.728279 0.710209 B\n0.000000 0.427349 0.350719 O\n0.000000 0.572650 0.649281 O\n0.000000 0.247252 0.141065 O\n0.500000 0.366007 0.879719 O\n0.500000 0.747252 0.358935 O\n0.500000 0.252748 0.641065 O\n0.000000 0.866007 0.620281 O\n0.000000 0.133993 0.379719 O\n0.500000 0.927349 0.149281 O\n0.000000 0.752748 0.858935 O\n0.500000 0.072651 0.850719 O\n0.500000 0.633993 0.120281 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-Li-O",
"density": 2.3707941459819666,
"density_atomic": 0.10007760624115822,
"volume": 259.79838024250387,
"volume_molar": 6.017470827078312,
"formula_full": "Li8 Ca2 B4 O12",
"formula_reduced": "Li4Ca(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.2301566605128205,
"spacegroup": 58
},
{
"id": "jvasp-46758",
"created_at": "2022-09-04T14:38:03.829523Z",
"updated_at": "2022-09-04T14:38:03.829549Z",
"structure_string": "Li6 V1 Co1 P2 C2 O14\n1.0\n0.000000 4.923329 0.070468\n6.403008 0.000000 0.000000\n0.000000 -0.845646 -8.430191\nLi V Co P C O\n6 1 1 2 2 14\ndirect\n0.797355 0.000000 0.896827 Li\n0.267659 0.775989 0.723916 Li\n0.267659 0.224011 0.723916 Li\n0.735872 0.252591 0.273926 Li\n0.735872 0.747409 0.273926 Li\n0.199121 0.500000 0.106836 Li\n0.793287 0.500000 0.674297 V\n0.212236 0.000000 0.330205 Co\n0.265720 0.500000 0.410096 P\n0.728238 0.000000 0.590311 P\n0.670938 0.500000 0.960360 C\n0.329509 0.000000 0.037150 C\n0.515624 0.000000 0.159443 O\n0.160975 0.312448 0.303914 O\n0.160975 0.687552 0.303914 O\n0.830680 0.000000 0.427085 O\n0.585306 0.500000 0.438481 O\n0.410802 0.000000 0.572949 O\n0.924065 0.500000 0.930739 O\n0.840978 0.186585 0.697265 O\n0.840978 0.813415 0.697265 O\n0.489292 0.500000 0.834395 O\n0.400110 0.000000 0.893945 O\n0.600926 0.500000 0.101579 O\n0.158490 0.500000 0.574146 O\n0.077328 0.000000 0.063113 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"V",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-O-P-V",
"density": 2.8876649773771113,
"density_atomic": 0.09797539543097113,
"volume": 265.37274879710367,
"volume_molar": 6.146584796631843,
"formula_full": "Li6 V1 Co1 P2 C2 O14",
"formula_reduced": "Li6VCoP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.0497090423076925,
"spacegroup": 6
},
{
"id": "jvasp-46752",
"created_at": "2022-09-04T14:38:03.817140Z",
"updated_at": "2022-09-04T14:38:03.817158Z",
"structure_string": "Li6 Mn1 Cr1 P2 C2 O14\n1.0\n0.000000 4.934712 0.075261\n6.370040 0.000000 0.000000\n0.000000 -0.776443 -8.651599\nLi Mn Cr P C O\n6 1 1 2 2 14\ndirect\n0.804086 0.500000 0.887377 Li\n0.277422 0.268142 0.735220 Li\n0.277422 0.731858 0.735220 Li\n0.718901 0.767402 0.264439 Li\n0.718901 0.232599 0.264439 Li\n0.193962 0.000000 0.104652 Li\n0.777324 0.000000 0.653932 Mn\n0.195440 0.500000 0.334253 Cr\n0.265762 0.000000 0.406880 P\n0.745714 0.500000 0.595542 P\n0.668395 0.000000 0.960574 C\n0.323096 0.500000 0.040564 C\n0.485161 0.500000 0.172043 O\n0.149225 0.811742 0.306000 O\n0.149225 0.188259 0.306000 O\n0.832452 0.500000 0.429922 O\n0.583806 0.000000 0.417244 O\n0.431460 0.500000 0.588419 O\n0.921730 0.000000 0.940904 O\n0.865508 0.688503 0.694819 O\n0.865508 0.311497 0.694819 O\n0.489226 0.000000 0.837938 O\n0.424126 0.500000 0.909039 O\n0.586571 0.000000 0.098502 O\n0.183067 0.000000 0.571662 O\n0.066514 0.500000 0.049602 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-Mn-O-P",
"density": 2.803634845607705,
"density_atomic": 0.09573436022287798,
"volume": 271.5848305610412,
"volume_molar": 6.290469530459,
"formula_full": "Li6 Mn1 Cr1 P2 C2 O14",
"formula_reduced": "Li6MnCrP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.1171717169761277,
"spacegroup": 6
},
{
"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
}
]
}