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=volume&page=4587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4585",
"results": [
{
"id": "jvasp-14049",
"created_at": "2022-09-04T14:37:47.238694Z",
"updated_at": "2022-09-04T14:37:47.238713Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008377 0.088589\n6.634136 0.000000 0.000000\n0.000000 -1.778084 -12.749241\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942327 0.681318 K\n0.796205 0.442326 0.818682 K\n0.796205 0.057674 0.318682 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 -0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493955 0.340413 0.325796 Br\n0.506045 0.840413 0.174204 Br\n0.096561 0.442578 0.688232 Br\n0.903440 0.942579 0.811768 Br\n0.903440 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856870 0.798191 0.544656 Br\n0.333768 0.726418 0.921343 Br\n0.143131 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493955 0.159587 0.825796 Br\n0.333768 0.773583 0.421343 Br\n0.666232 0.273583 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143131 0.298191 0.955344 Br\n0.506046 0.659588 0.674204 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Au",
"Br"
],
"chemical_system": "Au-Br-K",
"density": 4.850821914546226,
"density_atomic": 0.031542204179628025,
"volume": 760.8853161726959,
"volume_molar": 19.092326984204494,
"formula_full": "K4 Au4 Br16",
"formula_reduced": "KAuBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-59035",
"created_at": "2022-09-04T14:38:20.069985Z",
"updated_at": "2022-09-04T14:38:20.070003Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008381 0.088585\n6.634141 0.000000 0.000000\n0.000000 -1.778078 -12.749240\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942325 0.681318 K\n0.796204 0.442325 0.818683 K\n0.796204 0.057675 0.318683 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493954 0.340413 0.325796 Br\n0.506045 0.840413 0.174205 Br\n0.096561 0.442578 0.688232 Br\n0.903439 0.942578 0.811768 Br\n0.903439 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856869 0.798190 0.544656 Br\n0.333767 0.726417 0.921344 Br\n0.143130 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493954 0.159587 0.825796 Br\n0.333767 0.773582 0.421344 Br\n0.666232 0.273582 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143130 0.298190 0.955344 Br\n0.506045 0.659587 0.674205 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Au",
"Br"
],
"chemical_system": "Au-Br-K",
"density": 4.850816159433084,
"density_atomic": 0.0315421667573196,
"volume": 760.8862189034816,
"volume_molar": 19.092349635753912,
"formula_full": "K4 Au4 Br16",
"formula_reduced": "KAuBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 14
},
{
"id": "jvasp-96598",
"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Rb",
"density": 2.8286617813160686,
"density_atomic": 0.039407896976299865,
"volume": 761.2687380410624,
"volume_molar": 15.281558322236148,
"formula_full": "Rb6 Mg6 Cl18",
"formula_reduced": "RbMgCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-88985",
"created_at": "2022-09-04T14:36:12.403728Z",
"updated_at": "2022-09-04T14:36:12.403750Z",
"structure_string": "Ba8 Cd4 Se12\n1.0\n4.528968 0.000000 0.000000\n0.000000 9.320019 0.000000\n0.000000 0.000000 18.039943\nBa Cd Se\n8 4 12\ndirect\n0.750000 0.575219 0.285460 Ba\n0.750000 0.075219 0.214540 Ba\n0.250000 0.924781 0.785460 Ba\n0.750000 0.740821 0.539699 Ba\n0.250000 0.759179 0.039699 Ba\n0.750000 0.240821 0.960301 Ba\n0.250000 0.259179 0.460301 Ba\n0.250000 0.424781 0.714540 Ba\n0.250000 0.874490 0.366451 Cd\n0.250000 0.374490 0.133549 Cd\n0.750000 0.125510 0.633549 Cd\n0.750000 0.625510 0.866451 Cd\n0.250000 0.485143 0.904213 Se\n0.750000 0.189676 0.777902 Se\n0.250000 0.810324 0.222098 Se\n0.750000 0.689676 0.722098 Se\n0.250000 0.115232 0.071969 Se\n0.750000 0.384768 0.571968 Se\n0.250000 0.615232 0.428031 Se\n0.750000 0.014857 0.404213 Se\n0.250000 0.985143 0.595787 Se\n0.750000 0.514857 0.095787 Se\n0.250000 0.310324 0.277902 Se\n0.750000 0.884769 0.928031 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 5.442572046889328,
"density_atomic": 0.03151810012818648,
"volume": 761.4672173256065,
"volume_molar": 19.106928195251303,
"formula_full": "Ba8 Cd4 Se12",
"formula_reduced": "Ba2CdSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3388578952777777,
"spacegroup": 62
},
{
"id": "jvasp-61613",
"created_at": "2022-09-04T14:35:59.232263Z",
"updated_at": "2022-09-04T14:35:59.232285Z",
"structure_string": "Sr10 Sn4 As12\n1.0\n4.295550 0.000000 0.000000\n0.000000 12.558507 -0.000000\n0.000000 0.000000 14.119599\nSr Sn As\n10 4 12\ndirect\n0.000000 0.121598 0.755709 Sr\n0.000000 0.878402 0.244291 Sr\n0.000000 0.378402 0.255709 Sr\n0.000000 0.621598 0.744291 Sr\n0.000000 0.368003 0.931403 Sr\n0.000000 0.631998 0.068597 Sr\n0.000000 0.131997 0.431403 Sr\n0.000000 0.868003 0.568597 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.787193 0.894883 Sn\n0.500000 0.212807 0.105117 Sn\n0.500000 0.287193 0.605117 Sn\n0.500000 0.712807 0.394883 Sn\n0.000000 0.129264 0.198197 As\n0.500000 0.075660 0.599157 As\n0.500000 0.924340 0.400843 As\n0.500000 0.424340 0.099157 As\n0.500000 0.575660 0.900843 As\n0.500000 0.168564 0.920135 As\n0.500000 0.831436 0.079865 As\n0.500000 0.331436 0.420135 As\n0.500000 0.668565 0.579865 As\n0.000000 0.370736 0.698197 As\n0.000000 0.629264 0.301803 As\n0.000000 0.870736 0.801803 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"As"
],
"chemical_system": "As-Sn-Sr",
"density": 4.9053681770994695,
"density_atomic": 0.03413455099937299,
"volume": 761.6915775595697,
"volume_molar": 17.642361137577637,
"formula_full": "Sr10 Sn4 As12",
"formula_reduced": "Sr5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.0518919576923074,
"spacegroup": 55
},
{
"id": "jvasp-97826",
"created_at": "2022-09-04T14:36:21.061271Z",
"updated_at": "2022-09-04T14:36:21.061303Z",
"structure_string": "Hf27 P16\n1.0\n3.513070 0.000000 0.423243\n1.381578 14.514752 3.323902\n-0.019629 -0.004132 14.954421\nHf P\n27 16\ndirect\n0.715083 0.784917 0.784917 Hf\n0.852377 0.647623 0.647623 Hf\n0.000000 0.583617 0.416383 Hf\n0.000000 0.416383 0.583617 Hf\n0.000000 0.000000 0.000000 Hf\n0.783831 0.529827 0.902511 Hf\n0.216169 0.470173 0.097489 Hf\n0.216169 0.097489 0.470173 Hf\n0.783831 0.902511 0.529827 Hf\n0.147623 0.352377 0.352377 Hf\n0.928523 0.317500 0.825454 Hf\n0.071477 0.174546 0.682500 Hf\n0.928523 0.825454 0.317500 Hf\n0.817812 0.315409 0.048967 Hf\n0.182188 0.684591 0.951032 Hf\n0.182189 0.951033 0.684590 Hf\n0.817812 0.048967 0.315409 Hf\n0.608914 0.522496 0.259676 Hf\n0.391086 0.477504 0.740324 Hf\n0.071478 0.682500 0.174545 Hf\n0.391086 0.740324 0.477504 Hf\n0.608914 0.259676 0.522496 Hf\n0.580019 0.826646 0.013317 Hf\n0.419981 0.173354 0.986683 Hf\n0.419982 0.986683 0.173354 Hf\n0.580018 0.013317 0.826646 Hf\n0.284917 0.215083 0.215083 Hf\n0.000001 0.860911 0.139089 P\n0.500000 0.691137 0.308863 P\n0.500000 0.308863 0.691137 P\n0.438920 0.561080 0.561080 P\n0.561080 0.438920 0.438920 P\n0.124703 0.875297 0.875297 P\n0.875298 0.124702 0.124702 P\n0.342991 0.388781 0.925236 P\n0.342992 0.925236 0.388781 P\n0.657009 0.074764 0.611219 P\n0.714968 0.361513 0.208552 P\n0.285032 0.638487 0.791448 P\n0.285033 0.791448 0.638487 P\n0.714968 0.208552 0.361512 P\n0.657009 0.611219 0.074763 P\n-0.000000 0.139089 0.860911 P\n",
"nsites": 43,
"nelements": 2,
"elements": [
"Hf",
"P"
],
"chemical_system": "Hf-P",
"density": 11.571137634551484,
"density_atomic": 0.056377739469522486,
"volume": 762.7123826638274,
"volume_molar": 10.681770529759424,
"formula_full": "Hf27 P16",
"formula_reduced": "Hf27P16",
"formula_anonymous": "A16B27",
"energy_above_hull": 5.890696023255814,
"spacegroup": 71
},
{
"id": "jvasp-26761",
"created_at": "2022-09-04T14:37:39.070198Z",
"updated_at": "2022-09-04T14:37:39.070225Z",
"structure_string": "Rb4 Er12 F40\n1.0\n4.070986 -7.051155 -0.000000\n4.070986 7.051155 0.000000\n0.000000 0.000000 13.289937\nRb Er F\n4 12 40\ndirect\n0.666668 0.333333 0.258797 Rb\n0.000000 0.000000 0.497509 Rb\n0.333333 0.666668 0.758797 Rb\n0.000000 0.000000 0.997509 Rb\n0.825726 0.651449 0.752494 Er\n0.651449 0.825726 0.252493 Er\n0.505981 0.494020 0.513081 Er\n0.988040 0.494020 0.513081 Er\n0.348552 0.174275 0.752494 Er\n0.174275 0.348552 0.252493 Er\n0.011961 0.505981 0.013081 Er\n0.174275 0.825725 0.252493 Er\n0.494020 0.505981 0.013081 Er\n0.494020 0.988040 0.013081 Er\n0.505981 0.011961 0.513081 Er\n0.825725 0.174275 0.752494 Er\n0.661670 0.665095 0.382644 F\n0.889610 0.779219 0.220561 F\n0.520455 0.479546 0.687618 F\n0.220782 0.110391 0.220561 F\n0.183783 0.367566 0.076829 F\n0.334906 0.338331 0.382644 F\n0.444726 0.222363 0.050197 F\n0.479546 0.520455 0.187618 F\n0.666668 0.333333 0.802591 F\n0.334906 0.996576 0.382644 F\n0.816218 0.632435 0.576829 F\n0.666668 0.333333 0.468941 F\n0.338331 0.003425 0.882644 F\n0.996576 0.661670 0.882644 F\n0.367566 0.183783 0.576829 F\n0.183783 0.816218 0.076829 F\n0.889610 0.110391 0.220561 F\n0.040909 0.520455 0.187618 F\n0.110391 0.889610 0.720561 F\n0.520455 0.040909 0.687618 F\n0.665095 0.003425 0.882644 F\n0.777638 0.222363 0.050197 F\n0.110391 0.220782 0.720561 F\n0.338331 0.334906 0.882644 F\n0.665095 0.661670 0.882644 F\n0.959092 0.479546 0.687618 F\n0.222363 0.777638 0.550197 F\n0.333333 0.666668 0.302591 F\n0.003425 0.665095 0.382644 F\n0.333333 0.666668 0.968941 F\n0.661670 0.996576 0.382644 F\n0.003425 0.338331 0.382644 F\n0.632435 0.816218 0.076829 F\n0.777638 0.555275 0.050197 F\n0.996576 0.334906 0.882644 F\n0.816218 0.183783 0.576829 F\n0.222363 0.444726 0.550197 F\n0.779219 0.889610 0.720561 F\n0.555275 0.777638 0.550197 F\n0.479546 0.959092 0.187618 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Rb",
"Er",
"F"
],
"chemical_system": "Er-F-Rb",
"density": 6.766205803198143,
"density_atomic": 0.07339648110338905,
"volume": 762.979357567787,
"volume_molar": 8.204944800442115,
"formula_full": "Rb4 Er12 F40",
"formula_reduced": "RbEr3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-1213",
"created_at": "2022-09-04T14:36:33.904427Z",
"updated_at": "2022-09-04T14:36:33.904445Z",
"structure_string": "Zn24 P16\n1.0\n8.143087 0.000000 0.000000\n0.000000 8.143087 0.000000\n0.000000 0.000000 11.506655\nZn P\n24 16\ndirect\n0.500000 0.713739 0.603456 Zn\n0.253659 0.500000 0.847682 Zn\n0.746342 0.500000 0.847682 Zn\n0.500000 0.253659 0.152318 Zn\n0.000000 0.246342 0.347682 Zn\n0.246342 0.000000 0.652317 Zn\n0.753659 0.000000 0.652317 Zn\n0.500000 0.746342 0.152318 Zn\n0.212905 0.500000 0.112690 Zn\n0.787095 0.500000 0.112690 Zn\n0.500000 0.212905 0.887310 Zn\n0.000000 0.287095 0.612689 Zn\n0.000000 0.753659 0.347682 Zn\n0.287095 0.000000 0.387310 Zn\n0.000000 0.712905 0.612689 Zn\n0.786262 0.000000 0.103456 Zn\n0.213739 0.000000 0.103456 Zn\n0.000000 0.213739 0.896544 Zn\n0.000000 0.786262 0.896544 Zn\n0.713739 0.500000 0.396544 Zn\n0.286262 0.500000 0.396544 Zn\n0.500000 0.787095 0.887310 Zn\n0.712905 0.000000 0.387310 Zn\n0.500000 0.286262 0.603456 Zn\n0.754996 0.245004 0.500000 P\n0.754996 0.754996 0.500000 P\n0.745004 0.745004 0.000000 P\n0.245004 0.245004 0.500000 P\n0.254996 0.745004 0.000000 P\n0.745004 0.254996 0.000000 P\n0.000000 0.500000 0.252711 P\n0.000000 0.000000 0.756287 P\n0.500000 0.000000 0.247289 P\n0.500000 0.000000 0.747289 P\n0.500000 0.500000 0.256288 P\n0.000000 0.000000 0.243712 P\n0.500000 0.500000 0.743712 P\n0.245004 0.754996 0.500000 P\n0.000000 0.500000 0.752711 P\n0.254996 0.254996 0.000000 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zn",
"P"
],
"chemical_system": "P-Zn",
"density": 4.494953753994825,
"density_atomic": 0.05242431322464993,
"volume": 763.0047498875385,
"volume_molar": 11.487305010928377,
"formula_full": "Zn24 P16",
"formula_reduced": "Zn3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.2177444400000001,
"spacegroup": 137
},
{
"id": "jvasp-29924",
"created_at": "2022-09-04T14:38:35.498162Z",
"updated_at": "2022-09-04T14:38:35.498193Z",
"structure_string": "Th6 Fe1 Br15\n1.0\n9.402332 -0.000036 -3.324280\n-4.701166 8.142686 -3.324194\n-0.000045 0.000029 9.972714\nTh Fe Br\n6 1 15\ndirect\n0.000002 0.240315 0.240316 Th\n0.759688 0.759687 0.999999 Th\n0.999997 0.759685 0.759684 Th\n0.240311 0.000000 0.240311 Th\n0.759687 -0.000001 0.759688 Th\n0.240313 0.240315 0.000002 Th\n-0.000001 -0.000001 -0.000001 Fe\n0.490258 0.745129 0.745129 Br\n0.745130 -0.000002 0.254866 Br\n0.745125 0.745130 0.490258 Br\n0.999999 0.254869 0.745129 Br\n0.254874 0.254869 0.509742 Br\n0.500000 0.500000 0.999998 Br\n0.745131 0.490261 0.745130 Br\n0.000000 0.745128 0.254870 Br\n0.509742 0.254870 0.254872 Br\n0.500000 -0.000000 0.500000 Br\n0.254871 0.000005 0.745135 Br\n0.745130 0.254868 0.000001 Br\n0.254872 0.509741 0.254872 Br\n0.254867 0.745131 -0.000002 Br\n0.000001 0.500000 0.500002 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Th",
"density": 5.756084024775413,
"density_atomic": 0.028814223862968603,
"volume": 763.5118025259014,
"volume_molar": 20.89988884878319,
"formula_full": "Th6 Fe1 Br15",
"formula_reduced": "Th6FeBr15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.2222332125000004,
"spacegroup": 229
},
{
"id": "jvasp-31701",
"created_at": "2022-09-04T14:38:35.921408Z",
"updated_at": "2022-09-04T14:38:35.921429Z",
"structure_string": "Nb1 W11 Se24\n1.0\n0.336788 5.784147 0.000000\n0.000000 0.000000 -13.131049\n-10.019936 0.583428 0.000000\nNb W Se\n1 11 24\ndirect\n0.664538 0.250000 0.000020 Nb\n0.833455 0.750000 0.499980 W\n0.668629 0.250000 0.664948 W\n0.833458 0.750000 0.833356 W\n0.164434 0.250000 0.831477 W\n0.333506 0.750000 0.999980 W\n0.164434 0.250000 0.168564 W\n0.333379 0.750000 0.333315 W\n0.168273 0.250000 0.500021 W\n0.333379 0.750000 0.666645 W\n0.668629 0.250000 0.335093 W\n0.833458 0.750000 0.166604 W\n0.324266 0.121700 0.000020 Se\n0.335238 0.377291 0.666268 Se\n0.166796 0.877572 0.499980 Se\n0.166796 0.622428 0.499980 Se\n0.335238 0.122709 0.666268 Se\n0.335238 0.377291 0.333773 Se\n0.166778 0.877566 0.166628 Se\n0.166778 0.622434 0.166628 Se\n0.335238 0.122709 0.333773 Se\n0.324266 0.378300 0.000020 Se\n0.834607 0.121198 0.170383 Se\n0.666767 0.622346 0.999980 Se\n0.666767 0.877654 0.999980 Se\n0.834607 0.378802 0.170383 Se\n0.835572 0.122171 0.500020 Se\n0.666787 0.622474 0.333291 Se\n0.666787 0.877527 0.333291 Se\n0.166778 0.877566 0.833331 Se\n0.834607 0.121198 0.829658 Se\n0.666788 0.622474 0.666668 Se\n0.666788 0.877527 0.666668 Se\n0.834607 0.378802 0.829658 Se\n0.166778 0.622434 0.833331 Se\n0.835572 0.377829 0.500021 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 8.720473377200566,
"density_atomic": 0.04714426901079294,
"volume": 763.6134943943741,
"volume_molar": 12.773855415217755,
"formula_full": "Nb1 W11 Se24",
"formula_reduced": "NbW11Se24",
"formula_anonymous": "AB11C24",
"energy_above_hull": 4.505621672222222,
"spacegroup": 25
},
{
"id": "jvasp-77275",
"created_at": "2022-09-04T14:37:51.754550Z",
"updated_at": "2022-09-04T14:37:51.754564Z",
"structure_string": "Li1 Cu1 Au2\n1.0\n-8.452140 0.000000 -4.879845\n-8.780816 -0.001505 5.449130\n-5.743609 8.589014 0.188533\nLi Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Cu\n0.747599 -0.000000 -0.000000 Au\n0.252402 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Li",
"density": 1.00986014377454,
"density_atomic": 0.005237946797066549,
"volume": 763.6580047434145,
"volume_molar": 114.97139992663975,
"formula_full": "Li1 Cu1 Au2",
"formula_reduced": "LiCuAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5598463975,
"spacegroup": 71
},
{
"id": "jvasp-88682",
"created_at": "2022-09-04T14:36:12.663097Z",
"updated_at": "2022-09-04T14:36:12.663128Z",
"structure_string": "Rb12 Na4 Pb4 O16\n1.0\n6.665532 0.000000 0.000000\n0.000000 10.246613 -4.115775\n0.000000 0.026834 11.172194\nRb Na Pb O\n12 4 4 16\ndirect\n0.620561 0.316966 0.892779 Rb\n0.679934 0.970254 0.330194 Rb\n0.179934 0.029745 0.169805 Rb\n0.879439 0.316966 0.392780 Rb\n0.887135 0.540765 0.185585 Rb\n0.112865 0.459234 0.814414 Rb\n0.820066 0.970254 0.830193 Rb\n0.612865 0.540765 0.685585 Rb\n0.120561 0.683033 0.607219 Rb\n0.379439 0.683033 0.107220 Rb\n0.320066 0.029745 0.669805 Rb\n0.387135 0.459234 0.314414 Rb\n0.619816 0.125378 0.109550 Na\n0.880184 0.125378 0.609549 Na\n0.119816 0.874622 0.390450 Na\n0.380184 0.874622 0.890449 Na\n0.853715 0.758947 0.009163 Pb\n0.146285 0.241052 0.990836 Pb\n0.353715 0.241052 0.490837 Pb\n0.646285 0.758947 0.509162 Pb\n0.991823 0.793857 0.188838 O\n0.617670 0.896823 0.049478 O\n0.075206 0.773823 0.880642 O\n0.508177 0.793857 0.688838 O\n0.424793 0.773823 0.380641 O\n0.882330 0.896822 0.549478 O\n0.382330 0.103177 0.950521 O\n0.735810 0.568535 0.942311 O\n0.924793 0.226176 0.119357 O\n0.575206 0.226176 0.619357 O\n0.008177 0.206142 0.811161 O\n0.117670 0.103177 0.450521 O\n0.235810 0.431465 0.557688 O\n0.264189 0.431465 0.057688 O\n0.764189 0.568535 0.442311 O\n0.491823 0.206142 0.311161 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Pb",
"O"
],
"chemical_system": "Na-O-Pb-Rb",
"density": 4.788126414489898,
"density_atomic": 0.047133543780916276,
"volume": 763.787254515242,
"volume_molar": 12.776762103846481,
"formula_full": "Rb12 Na4 Pb4 O16",
"formula_reduced": "Rb3NaPbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6797893133333333,
"spacegroup": 14
}
]
}