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=density_atomic&page=4117",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4115",
"results": [
{
"id": "jvasp-17243",
"created_at": "2022-09-04T14:37:58.135011Z",
"updated_at": "2022-09-04T14:37:58.135038Z",
"structure_string": "Cu3 N1\n1.0\n3.502940 -0.000000 -0.000000\n0.000000 3.502940 -0.000000\n-0.000000 -0.000000 3.502940\nCu N\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.9059033951487505,
"density_atomic": 0.09305975301974756,
"volume": 42.98313578321219,
"volume_molar": 6.471262349817417,
"formula_full": "Cu3 N1",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.17704865,
"spacegroup": 221
},
{
"id": "jvasp-99125",
"created_at": "2022-09-04T14:36:06.657104Z",
"updated_at": "2022-09-04T14:36:06.657130Z",
"structure_string": "Mg12 Si4 O16 F8\n1.0\n4.746240 0.000000 0.000000\n-0.000000 8.774269 0.000000\n0.000000 0.000000 10.321135\nMg Si O F\n12 4 16 8\ndirect\n0.990029 0.430238 0.632824 Mg\n0.490029 0.569762 0.867175 Mg\n0.009971 0.569762 0.367175 Mg\n0.494743 0.750000 0.593224 Mg\n0.509971 0.430238 0.132825 Mg\n0.009971 0.930238 0.367175 Mg\n0.490029 0.930238 0.867175 Mg\n0.005257 0.750000 0.093225 Mg\n0.990029 0.069762 0.632824 Mg\n0.509971 0.069762 0.132825 Mg\n0.994743 0.250000 0.906775 Mg\n0.505257 0.250000 0.406775 Mg\n0.920956 0.750000 0.780306 Si\n0.579044 0.750000 0.280306 Si\n0.079044 0.250000 0.219693 Si\n0.420956 0.250000 0.719693 Si\n0.732443 0.602621 0.208498 O\n0.232443 0.397379 0.291501 O\n0.735730 0.250000 0.220971 O\n0.767557 0.602621 0.708497 O\n0.222851 0.250000 0.073601 O\n0.232443 0.102621 0.291501 O\n0.264270 0.750000 0.779029 O\n0.267557 0.397379 0.791502 O\n0.777149 0.750000 0.926399 O\n0.767557 0.897379 0.708497 O\n0.722851 0.750000 0.426399 O\n0.277149 0.250000 0.573601 O\n0.235730 0.750000 0.279029 O\n0.267557 0.102621 0.791502 O\n0.732443 0.897379 0.208498 O\n0.764270 0.250000 0.720971 O\n0.772624 0.084685 0.466803 F\n0.272624 0.915315 0.033197 F\n0.227376 0.584685 0.533197 F\n0.727376 0.084685 0.966802 F\n0.727376 0.415315 0.966802 F\n0.772624 0.415315 0.466803 F\n0.227376 0.915315 0.533197 F\n0.272624 0.584685 0.033197 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Si",
"O",
"F"
],
"chemical_system": "F-Mg-O-Si",
"density": 3.1369394134476374,
"density_atomic": 0.09306189522153384,
"volume": 429.8214634978151,
"volume_molar": 6.471113387132611,
"formula_full": "Mg12 Si4 O16 F8",
"formula_reduced": "Mg3Si(O2F)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.8604490314999996,
"spacegroup": 62
},
{
"id": "jvasp-22864",
"created_at": "2022-09-04T14:37:34.872068Z",
"updated_at": "2022-09-04T14:37:34.872088Z",
"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"K",
"Li",
"Zr",
"O"
],
"chemical_system": "K-Li-O-Zr",
"density": 3.1518468590233786,
"density_atomic": 0.09306637904931835,
"volume": 354.5856230477434,
"volume_molar": 6.470801616563064,
"formula_full": "K2 Li14 Zr3 O14",
"formula_reduced": "K2Li14Zr3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 2.0571617727272726,
"spacegroup": 71
},
{
"id": "jvasp-8258",
"created_at": "2022-09-04T14:37:05.282996Z",
"updated_at": "2022-09-04T14:37:05.283017Z",
"structure_string": "Y1 Cu1 O3\n1.0\n3.773334 0.000000 0.000000\n0.000000 3.773334 0.000000\n0.000000 -0.000000 3.773257\nY Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.500000 Cu\n0.499999 0.000000 0.500000 O\n0.000000 0.499999 0.500000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 6.195671489040584,
"density_atomic": 0.09306858696871152,
"volume": 53.72381984998801,
"volume_molar": 6.470648106030199,
"formula_full": "Y1 Cu1 O3",
"formula_reduced": "YCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.66088328,
"spacegroup": 221
},
{
"id": "jvasp-50815",
"created_at": "2022-09-04T14:36:08.702765Z",
"updated_at": "2022-09-04T14:36:08.702795Z",
"structure_string": "Li10 In2 O8\n1.0\n4.734873 0.000000 0.000000\n0.000000 6.506590 0.000000\n0.000000 0.000000 6.975213\nLi In O\n10 2 8\ndirect\n0.244182 0.743203 0.689609 Li\n0.755817 0.243203 0.810390 Li\n0.241098 0.500000 0.000000 Li\n0.755817 0.243203 0.189610 Li\n0.755817 0.756797 0.189610 Li\n0.755817 0.756797 0.810390 Li\n0.244182 0.743203 0.310390 Li\n0.758902 0.000000 0.500000 Li\n0.244182 0.256797 0.689609 Li\n0.244182 0.256797 0.310390 Li\n0.766974 0.500000 0.500000 In\n0.233025 0.000000 0.000000 In\n0.474264 0.261476 0.000000 O\n0.007329 0.500000 0.751791 O\n0.525735 0.761476 0.500000 O\n0.525735 0.238524 0.500000 O\n0.007329 0.500000 0.248209 O\n0.992671 0.000000 0.251791 O\n0.474264 0.738524 0.000000 O\n0.992671 0.000000 0.748209 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"In",
"O"
],
"chemical_system": "In-Li-O",
"density": 3.2998912229561475,
"density_atomic": 0.09307022106624815,
"volume": 214.89150633653094,
"volume_molar": 6.470534496435106,
"formula_full": "Li10 In2 O8",
"formula_reduced": "Li5InO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3201203970000002,
"spacegroup": 59
},
{
"id": "jvasp-23964",
"created_at": "2022-09-04T14:37:43.111740Z",
"updated_at": "2022-09-04T14:37:43.111761Z",
"structure_string": "Al2 H24 Cl6 O12\n1.0\n7.819564 -0.148076 -1.089050\n-1.230817 7.723509 -1.089050\n-0.128790 -0.148076 7.893986\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.794232 0.392473 0.586845 H\n0.237506 0.279755 0.537867 H\n0.262493 0.962133 0.220244 H\n0.220244 0.262493 0.962133 H\n0.537867 0.237506 0.279756 H\n0.279755 0.537867 0.237507 H\n0.779755 0.737506 0.037867 H\n0.037867 0.779755 0.737507 H\n0.737506 0.037866 0.779756 H\n0.762493 0.720244 0.462133 H\n0.462132 0.762493 0.720245 H\n0.962132 0.220244 0.262493 H\n0.294233 0.086844 0.892474 H\n0.892473 0.294232 0.086844 H\n0.086844 0.892474 0.294233 H\n0.413155 0.205767 0.607527 H\n0.607526 0.413155 0.205767 H\n0.205767 0.607526 0.413156 H\n0.705766 0.913155 0.107526 H\n0.107526 0.705767 0.913156 H\n0.913155 0.107526 0.705767 H\n0.392473 0.586844 0.794233 H\n0.720244 0.462132 0.762494 H\n0.586844 0.794233 0.392474 H\n0.523024 0.976975 0.250000 Cl\n0.250000 0.523024 0.976975 Cl\n0.976974 0.249999 0.523025 Cl\n0.476975 0.023024 0.750000 Cl\n0.023025 0.750000 0.476975 Cl\n0.749999 0.476975 0.023025 Cl\n0.546553 0.367335 0.296176 O\n0.367335 0.296176 0.546554 O\n0.132665 0.953447 0.203824 O\n0.953446 0.203823 0.132665 O\n0.203824 0.132664 0.953447 O\n0.796175 0.867335 0.046553 O\n0.867334 0.046553 0.796176 O\n0.632664 0.703823 0.453447 O\n0.453446 0.632665 0.703824 O\n0.703823 0.453446 0.632665 O\n0.296176 0.546553 0.367335 O\n0.046553 0.796176 0.867335 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Al",
"H",
"Cl",
"O"
],
"chemical_system": "Al-Cl-H-O",
"density": 1.696063017437979,
"density_atomic": 0.09307227776606877,
"volume": 472.7508669186242,
"volume_molar": 6.470391511354506,
"formula_full": "Al2 H24 Cl6 O12",
"formula_reduced": "AlH12(ClO2)3",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 2.6774411819318185,
"spacegroup": 167
},
{
"id": "jvasp-112819",
"created_at": "2022-09-04T14:38:43.987215Z",
"updated_at": "2022-09-04T14:38:43.987240Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.590079 -0.040077 0.108466\n0.166718 5.474500 0.447948\n0.039533 0.004350 7.695460\nFe O F\n6 5 7\ndirect\n0.500113 0.166324 0.336748 Fe\n0.477361 0.480080 0.000772 Fe\n0.539821 0.841075 0.659513 Fe\n0.014921 0.660555 0.323945 Fe\n0.924181 0.341944 0.672763 Fe\n0.036894 0.014227 0.009847 Fe\n0.210573 0.699172 0.097500 O\n0.307140 0.209972 0.124249 O\n0.691856 0.127119 0.550269 O\n0.786113 0.288483 0.908158 O\n0.799681 0.641764 0.551007 O\n0.775503 0.960309 0.232958 F\n0.704102 0.784251 0.905987 F\n0.714494 0.442746 0.245615 F\n0.284577 0.888193 0.424156 F\n0.297226 0.547677 0.754628 F\n0.213817 0.038253 0.760189 F\n0.221628 0.367848 0.441704 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.705799701933426,
"density_atomic": 0.09307478669305069,
"volume": 193.3928686762593,
"volume_molar": 6.470217095270158,
"formula_full": "Fe6 O5 F7",
"formula_reduced": "Fe6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.1114406931944445,
"spacegroup": 1
},
{
"id": "jvasp-22871",
"created_at": "2022-09-04T14:37:33.198445Z",
"updated_at": "2022-09-04T14:37:33.198472Z",
"structure_string": "Ba1 Ni12 B6\n1.0\n5.942841 -0.002139 -1.548738\n-2.003567 5.594916 -1.548738\n-0.001507 -0.002139 6.141331\nBa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.466559 0.466560 0.187963 Ni\n0.867682 0.132317 0.499999 Ni\n0.499999 0.867683 0.132317 Ni\n0.132316 0.500000 0.867682 Ni\n0.533439 0.533440 0.812036 Ni\n0.533440 0.812037 0.533440 Ni\n0.812036 0.533440 0.533440 Ni\n0.132317 0.867683 0.500000 Ni\n0.187963 0.466560 0.466559 Ni\n0.466559 0.187964 0.466559 Ni\n0.499999 0.132317 0.867682 Ni\n0.867682 0.500000 0.132317 Ni\n0.354001 0.769510 0.769509 B\n0.769509 0.354002 0.769509 B\n0.230490 0.645999 0.230490 B\n0.230489 0.230490 0.645998 B\n0.645998 0.230490 0.230489 B\n0.769509 0.769510 0.354001 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"B"
],
"chemical_system": "B-Ba-Ni",
"density": 7.374169254600378,
"density_atomic": 0.09307717321431531,
"volume": 204.13168281605903,
"volume_molar": 6.47005119733674,
"formula_full": "Ba1 Ni12 B6",
"formula_reduced": "Ba(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.5762589615789477,
"spacegroup": 166
},
{
"id": "jvasp-97878",
"created_at": "2022-09-04T14:36:20.035257Z",
"updated_at": "2022-09-04T14:36:20.035283Z",
"structure_string": "Li8 Ca12 Be12 Si12 O48 F8\n1.0\n10.536033 0.000000 -3.725050\n-5.268017 9.124473 -3.725050\n0.000000 0.000000 11.175151\nLi Ca Be Si O F\n8 12 12 12 48 8\ndirect\n0.500000 -0.000000 0.039776 Li\n0.039775 0.500000 -0.000000 Li\n-0.000000 0.039776 0.500000 Li\n-0.000000 0.543322 0.500000 Li\n0.543322 0.500000 -0.000000 Li\n0.956677 0.956677 0.956677 Li\n0.460224 0.460224 0.460224 Li\n0.500000 -0.000000 0.543322 Li\n0.336125 0.086125 0.250000 Ca\n0.413875 0.750000 0.163875 Ca\n0.086125 0.250000 0.336125 Ca\n0.656227 0.250000 0.906227 Ca\n0.843772 0.750000 0.593772 Ca\n0.906227 0.656227 0.250000 Ca\n0.163875 0.413875 0.750000 Ca\n0.749999 0.593772 0.843772 Ca\n0.249999 0.906227 0.656227 Ca\n0.593772 0.843772 0.750000 Ca\n0.750000 0.163875 0.413875 Ca\n0.250000 0.336125 0.086125 Ca\n0.459641 0.235791 0.035286 Be\n0.264208 0.723850 0.799495 Be\n0.075644 0.776149 0.040358 Be\n0.799495 0.264209 0.723850 Be\n0.235791 0.035286 0.459641 Be\n0.464713 0.700505 0.424355 Be\n0.035286 0.459641 0.235791 Be\n0.040359 0.075645 0.776150 Be\n0.776149 0.040359 0.075645 Be\n0.723850 0.799495 0.264209 Be\n0.424355 0.464714 0.700505 Be\n0.700505 0.424355 0.464714 Be\n0.531460 0.734708 0.955946 Si\n0.544053 0.278761 0.575513 Si\n0.221238 0.765292 0.296752 Si\n0.924486 0.203248 0.968540 Si\n0.296752 0.221239 0.765292 Si\n0.955946 0.531460 0.734708 Si\n0.968539 0.924486 0.203247 Si\n0.575513 0.544053 0.278761 Si\n0.278761 0.575513 0.544053 Si\n0.203247 0.968540 0.924486 Si\n0.734707 0.955946 0.531460 Si\n0.765292 0.296752 0.221239 Si\n0.595299 0.206936 0.088854 O\n0.859953 0.409554 0.182365 O\n0.273298 0.449073 0.590429 O\n0.591122 0.707743 0.094291 O\n0.409554 0.182366 0.859953 O\n0.411145 0.618082 0.506445 O\n0.888363 0.881918 0.293064 O\n0.088854 0.595299 0.206936 O\n0.772811 0.090446 0.950399 O\n0.496832 0.405709 0.113452 O\n0.618082 0.506445 0.411146 O\n0.175775 0.226702 0.817131 O\n0.449073 0.590429 0.273298 O\n0.881918 0.293064 0.888363 O\n0.324225 0.141356 0.050926 O\n0.094291 0.591123 0.707743 O\n0.317634 0.727188 0.677588 O\n0.640046 0.822412 0.549601 O\n0.226701 0.817131 0.175775 O\n0.908877 0.003168 0.116620 O\n0.293063 0.888363 0.881918 O\n0.707743 0.094291 0.591123 O\n0.003168 0.116620 0.908877 O\n0.383379 0.386548 0.792257 O\n0.182365 0.859953 0.409554 O\n0.506445 0.411146 0.618082 O\n0.549600 0.640046 0.822412 O\n0.727188 0.677588 0.317634 O\n0.909570 0.358644 0.682869 O\n0.677588 0.317634 0.727188 O\n0.950399 0.772811 0.090445 O\n0.682868 0.909570 0.358644 O\n0.386547 0.792257 0.383379 O\n0.904700 0.993555 0.611636 O\n0.141356 0.050926 0.324225 O\n0.792257 0.383380 0.386548 O\n0.611636 0.904700 0.993554 O\n0.822412 0.549601 0.640046 O\n0.090445 0.950399 0.772811 O\n0.817131 0.175775 0.226702 O\n0.050926 0.324225 0.141356 O\n0.206936 0.088854 0.595299 O\n0.993554 0.611637 0.904700 O\n0.116620 0.908877 0.003168 O\n0.113452 0.496832 0.405709 O\n0.405709 0.113452 0.496832 O\n0.358644 0.682869 0.909570 O\n0.590429 0.273298 0.449073 O\n0.500000 -0.000000 0.209132 F\n-0.000000 0.709169 0.500000 F\n0.709169 0.500000 -0.000000 F\n0.500000 -0.000000 0.709169 F\n-0.000000 0.209132 0.500000 F\n0.209132 0.500000 -0.000000 F\n0.290868 0.290868 0.290868 F\n0.790830 0.790830 0.790830 F\n",
"nsites": 100,
"nelements": 6,
"elements": [
"Li",
"Ca",
"Be",
"Si",
"O",
"F"
],
"chemical_system": "Be-Ca-F-Li-O-Si",
"density": 2.9391971807863135,
"density_atomic": 0.09308113864463692,
"volume": 1074.3315075009746,
"volume_molar": 6.469775561073864,
"formula_full": "Li8 Ca12 Be12 Si12 O48 F8",
"formula_reduced": "Li2Ca3Be3Si3(O6F)2",
"formula_anonymous": "A2B2C3D3E3F12",
"energy_above_hull": 2.1008739169999995,
"spacegroup": 199
},
{
"id": "jvasp-42542",
"created_at": "2022-09-04T14:38:11.837587Z",
"updated_at": "2022-09-04T14:38:11.837604Z",
"structure_string": "Li1 Fe3 O3 F4\n1.0\n4.030445 2.326979 2.100034\n-4.030445 2.326979 2.100034\n-0.000000 -4.653958 2.100034\nLi Fe O F\n1 3 3 4\ndirect\n0.926377 0.926377 0.926377 Li\n0.172638 0.529746 0.529746 Fe\n0.529745 0.529745 0.172638 Fe\n0.529746 0.172638 0.529746 Fe\n0.397955 0.767810 0.397955 O\n0.397955 0.397955 0.767810 O\n0.767810 0.397955 0.397955 O\n0.203320 0.828649 0.828649 F\n0.230078 0.230078 0.230078 F\n0.828649 0.828649 0.203320 F\n0.828649 0.203320 0.828649 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.19395301700024,
"density_atomic": 0.09308284434120824,
"volume": 118.17430030047164,
"volume_molar": 6.469657005672277,
"formula_full": "Li1 Fe3 O3 F4",
"formula_reduced": "LiFe3O3F4",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7823125572727272,
"spacegroup": 160
},
{
"id": "jvasp-95687",
"created_at": "2022-09-04T14:35:48.944299Z",
"updated_at": "2022-09-04T14:35:48.944315Z",
"structure_string": "Li8 Zr4 F24\n1.0\n4.921140 0.000000 0.000000\n0.000000 7.174579 -2.173578\n0.000000 -0.017975 10.959207\nLi Zr F\n8 4 24\ndirect\n0.467528 0.960632 0.338333 Li\n0.532472 0.039368 0.661667 Li\n0.032472 0.960632 0.838333 Li\n0.001065 0.591010 0.193856 Li\n0.501065 0.408990 0.306144 Li\n0.998935 0.408989 0.806144 Li\n0.498935 0.591010 0.693856 Li\n0.967528 0.039368 0.161667 Li\n0.489058 0.745533 0.998474 Zr\n0.989058 0.254466 0.501526 Zr\n0.510942 0.254467 0.001526 Zr\n0.010942 0.745533 0.498474 Zr\n0.137505 0.102314 0.323736 F\n0.814204 0.545078 0.574552 F\n0.314204 0.454921 0.925448 F\n0.185796 0.454921 0.425448 F\n0.256562 0.751064 0.845226 F\n0.756562 0.248935 0.654774 F\n0.743438 0.248936 0.154774 F\n0.243438 0.751064 0.345226 F\n0.139495 0.751321 0.098594 F\n0.637505 0.897686 0.176264 F\n0.639495 0.248679 0.401406 F\n0.360505 0.751321 0.598594 F\n0.731487 0.601474 0.845532 F\n0.231487 0.398525 0.654468 F\n0.685796 0.545079 0.074552 F\n0.768513 0.601475 0.345532 F\n0.729460 0.955405 0.956151 F\n0.229460 0.044594 0.543850 F\n0.270540 0.044595 0.043849 F\n0.770540 0.955405 0.456150 F\n0.862495 0.897685 0.676264 F\n0.362495 0.102314 0.823736 F\n0.860505 0.248679 0.901406 F\n0.268513 0.398525 0.154468 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Li",
"Zr",
"F"
],
"chemical_system": "F-Li-Zr",
"density": 3.7628677121863574,
"density_atomic": 0.0930844383635128,
"volume": 386.7456325987918,
"volume_molar": 6.469546216181025,
"formula_full": "Li8 Zr4 F24",
"formula_reduced": "Li2ZrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2318151327777781,
"spacegroup": 14
},
{
"id": "jvasp-114245",
"created_at": "2022-09-04T14:38:40.998518Z",
"updated_at": "2022-09-04T14:38:40.998547Z",
"structure_string": "Ga1 Cu1 O2\n1.0\n1.476838 0.852653 5.687220\n-1.476838 0.852653 5.687220\n-0.000000 -1.705306 5.687220\nGa Cu O\n1 1 2\ndirect\n0.997318 0.997318 0.997324 Ga\n0.159577 0.159577 0.159578 Cu\n0.271981 0.271981 0.271983 O\n0.730121 0.730121 0.730125 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-O",
"density": 6.386764190042857,
"density_atomic": 0.0930901070061007,
"volume": 42.96912022818771,
"volume_molar": 6.4691522586877435,
"formula_full": "Ga1 Cu1 O2",
"formula_reduced": "GaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6600449437500001,
"spacegroup": 160
}
]
}