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=4578",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4576",
"results": [
{
"id": "jvasp-97673",
"created_at": "2022-09-04T14:36:11.200061Z",
"updated_at": "2022-09-04T14:36:11.200077Z",
"structure_string": "Co4 P12 N4 O36\n1.0\n4.845133 -0.000000 0.000000\n0.000000 11.612820 0.000000\n0.000000 0.000000 12.787716\nCo P N O\n4 12 4 36\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.511998 0.577517 0.630642 P\n0.488001 0.077517 0.869358 P\n0.511998 0.922483 0.369358 P\n0.511998 0.577517 0.869358 P\n0.488001 0.422483 0.369358 P\n0.488001 0.077517 0.630642 P\n0.488001 0.422483 0.130642 P\n0.764344 0.250000 0.000000 P\n0.235656 0.750000 0.500000 P\n0.235656 0.750000 0.000000 P\n0.764344 0.250000 0.500000 P\n0.511998 0.922483 0.130642 P\n0.878138 0.803033 0.750000 N\n0.121862 0.196967 0.250000 N\n0.121862 0.303033 0.750000 N\n0.878138 0.696967 0.250000 N\n0.180909 0.442915 0.376596 O\n0.819090 0.557085 0.876596 O\n0.819090 0.942915 0.376596 O\n0.180909 0.057085 0.876596 O\n0.819090 0.557085 0.623405 O\n0.180909 0.442915 0.123405 O\n0.673550 0.987315 0.583281 O\n0.326450 0.012685 0.083280 O\n0.673550 0.512685 0.416720 O\n0.326450 0.012685 0.416720 O\n0.673550 0.987315 0.916720 O\n0.326450 0.487315 0.583281 O\n0.673550 0.512685 0.083280 O\n0.566842 0.094927 0.750000 O\n0.433158 0.905073 0.250000 O\n0.326450 0.487315 0.916720 O\n0.819090 0.942915 0.123405 O\n0.557747 0.295618 0.088384 O\n0.923426 0.151546 0.046442 O\n0.557747 0.204382 0.588384 O\n0.442253 0.795618 0.088384 O\n0.557747 0.295618 0.411616 O\n0.442253 0.704382 0.911616 O\n0.442253 0.795618 0.411616 O\n0.557747 0.204382 0.911616 O\n0.442253 0.704382 0.588384 O\n0.566842 0.405073 0.250000 O\n0.923426 0.348454 0.546442 O\n0.076573 0.651546 0.046442 O\n0.923426 0.151546 0.453558 O\n0.076573 0.848454 0.953558 O\n0.076573 0.651546 0.453558 O\n0.923426 0.348454 0.953558 O\n0.076573 0.848454 0.546442 O\n0.180909 0.057085 0.623405 O\n0.433158 0.594927 0.750000 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Co",
"P",
"N",
"O"
],
"chemical_system": "Co-N-O-P",
"density": 2.8604365055012226,
"density_atomic": 0.07783082732922553,
"volume": 719.509247449204,
"volume_molar": 7.737474939751389,
"formula_full": "Co4 P12 N4 O36",
"formula_reduced": "CoP3NO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 3.3466815821428564,
"spacegroup": 57
},
{
"id": "jvasp-58880",
"created_at": "2022-09-04T14:36:58.317935Z",
"updated_at": "2022-09-04T14:36:58.317959Z",
"structure_string": "Tl12 S2 Br8\n1.0\n8.756514 0.000000 0.000000\n0.000000 8.756514 0.000000\n0.000000 0.000000 9.393152\nTl S Br\n12 2 8\ndirect\n0.679708 0.886143 0.500000 Tl\n0.500000 0.500000 0.304836 Tl\n0.500000 0.500000 0.695164 Tl\n0.000000 0.000000 0.804836 Tl\n0.386143 0.179708 0.000000 Tl\n0.820291 0.386143 0.000000 Tl\n0.000000 0.000000 0.195164 Tl\n0.886143 0.320291 0.500000 Tl\n0.113857 0.679708 0.500000 Tl\n0.613857 0.820291 0.000000 Tl\n0.320291 0.113857 0.500000 Tl\n0.179708 0.613857 0.000000 Tl\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.663234 0.163234 0.250000 Br\n0.163234 0.336766 0.750000 Br\n0.663234 0.163234 0.750000 Br\n0.336766 0.836766 0.750000 Br\n0.836766 0.663234 0.750000 Br\n0.836766 0.663234 0.250000 Br\n0.336766 0.836766 0.250000 Br\n0.163234 0.336766 0.250000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"S",
"Br"
],
"chemical_system": "Br-S-Tl",
"density": 7.276239153501109,
"density_atomic": 0.03054561249480642,
"volume": 720.2343709343066,
"volume_molar": 19.715239827074758,
"formula_full": "Tl12 S2 Br8",
"formula_reduced": "Tl6SBr4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-13396",
"created_at": "2022-09-04T14:37:09.058972Z",
"updated_at": "2022-09-04T14:37:09.058991Z",
"structure_string": "Tl12 S2 Br8\n1.0\n8.756490 0.000000 0.000000\n0.000000 8.756490 -0.000000\n0.000000 0.000000 9.393206\nTl S Br\n12 2 8\ndirect\n0.679711 0.886137 0.500000 Tl\n0.500000 0.500000 0.304835 Tl\n0.500000 0.500000 0.695165 Tl\n0.000000 0.000000 0.804835 Tl\n0.386137 0.179711 0.000000 Tl\n0.820289 0.386137 0.000000 Tl\n0.000000 0.000000 0.195165 Tl\n0.886137 0.320289 0.500000 Tl\n0.113863 0.679711 0.500000 Tl\n0.613863 0.820289 0.000000 Tl\n0.320289 0.113863 0.500000 Tl\n0.179711 0.613863 0.000000 Tl\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.663230 0.163230 0.250000 Br\n0.163230 0.336770 0.750000 Br\n0.663230 0.163230 0.750000 Br\n0.336770 0.836770 0.750000 Br\n0.836770 0.663230 0.750000 Br\n0.836770 0.663230 0.250000 Br\n0.336770 0.836770 0.250000 Br\n0.163230 0.336770 0.250000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"S",
"Br"
],
"chemical_system": "Br-S-Tl",
"density": 7.276237209206721,
"density_atomic": 0.030545604332669136,
"volume": 720.2345633892259,
"volume_molar": 19.715245095213916,
"formula_full": "Tl12 S2 Br8",
"formula_reduced": "Tl6SBr4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 4.8572257327350605e-17,
"spacegroup": 128
},
{
"id": "jvasp-54556",
"created_at": "2022-09-04T14:38:35.928142Z",
"updated_at": "2022-09-04T14:38:35.928169Z",
"structure_string": "K6 Mo4 Cl18\n1.0\n3.503182 -6.067689 -0.000000\n3.503182 6.067689 0.000000\n-0.000000 0.000000 16.954665\nK Mo Cl\n6 4 18\ndirect\n0.666667 0.333333 0.433620 K\n0.333333 0.666667 0.566380 K\n0.333333 0.666667 0.933620 K\n0.666667 0.333333 0.066380 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333333 0.830964 Mo\n0.333333 0.666667 0.169036 Mo\n0.333333 0.666667 0.330964 Mo\n0.666667 0.333333 0.669037 Mo\n0.785154 0.128166 0.589272 Cl\n0.656987 0.785154 0.089272 Cl\n0.871833 0.656987 0.589272 Cl\n0.214845 0.871833 0.410728 Cl\n0.006177 0.459528 0.750000 Cl\n0.540471 0.546649 0.750000 Cl\n0.453351 -0.006178 0.750000 Cl\n0.459528 0.453350 0.250000 Cl\n0.343013 0.214845 0.910728 Cl\n-0.006178 0.540472 0.250000 Cl\n0.214845 0.871833 0.089272 Cl\n0.128166 0.343013 0.089272 Cl\n0.656987 0.785154 0.410728 Cl\n0.128166 0.343013 0.410728 Cl\n0.785154 0.128166 0.910728 Cl\n0.546649 0.006177 0.250000 Cl\n0.343013 0.214845 0.589272 Cl\n0.871833 0.656987 0.910728 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Mo",
"density": 2.8947274630643536,
"density_atomic": 0.03884658168261765,
"volume": 720.7841407711022,
"volume_molar": 15.502369833211546,
"formula_full": "K6 Mo4 Cl18",
"formula_reduced": "K3Mo2Cl9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.787183743392857,
"spacegroup": 176
},
{
"id": "jvasp-27233",
"created_at": "2022-09-04T14:38:35.325521Z",
"updated_at": "2022-09-04T14:38:35.325552Z",
"structure_string": "Nb4 Te4 I12\n1.0\n0.000000 7.162971 -0.114548\n7.481183 0.000000 0.000000\n0.000000 -2.231216 -13.415300\nNb Te I\n4 4 12\ndirect\n0.066012 0.644832 0.152798 Nb\n0.933988 0.644832 0.347202 Nb\n0.933987 0.355168 0.847202 Nb\n0.066012 0.355168 0.652798 Nb\n0.821555 0.917977 0.196665 Te\n0.178445 0.917977 0.303335 Te\n0.178445 0.082023 0.803335 Te\n0.821554 0.082023 0.696665 Te\n0.738890 0.436922 0.192771 I\n0.261110 0.436922 0.307229 I\n0.364854 0.202709 0.570310 I\n0.635145 0.202709 0.929690 I\n0.635145 0.797290 0.429690 I\n0.152154 0.688484 0.544937 I\n0.847845 0.311516 0.455063 I\n0.152154 0.311516 0.044937 I\n0.738889 0.563077 0.692771 I\n0.847845 0.688484 0.955063 I\n0.364855 0.797290 0.070310 I\n0.261110 0.563077 0.807229 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Te",
"I"
],
"chemical_system": "I-Nb-Te",
"density": 5.540193441290658,
"density_atomic": 0.027746778555485477,
"volume": 720.8043975269354,
"volume_molar": 21.703927711671,
"formula_full": "Nb4 Te4 I12",
"formula_reduced": "NbTeI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0678531983333328,
"spacegroup": 13
},
{
"id": "jvasp-4891",
"created_at": "2022-09-04T14:37:19.434689Z",
"updated_at": "2022-09-04T14:37:19.434715Z",
"structure_string": "K8 S20\n1.0\n6.612525 0.000000 0.000000\n0.000000 6.402768 0.000000\n0.000000 0.000000 17.027574\nK S\n8 20\ndirect\n0.006624 0.330187 0.411878 K\n0.993377 0.830187 0.088122 K\n0.506625 0.169813 0.588122 K\n0.493376 0.669813 0.911878 K\n0.165135 0.867902 0.738275 K\n0.834865 0.367902 0.761725 K\n0.665136 0.632099 0.261725 K\n0.334865 0.132098 0.238275 K\n0.666127 0.839779 0.727403 S\n0.887451 0.322657 0.124567 S\n0.112550 0.822657 0.375433 S\n0.366075 0.802131 0.449575 S\n0.612550 0.677344 0.624567 S\n0.633926 0.302131 0.050425 S\n0.333874 0.339779 0.772597 S\n0.387451 0.177344 0.875432 S\n0.166127 0.660222 0.272597 S\n0.908071 0.007139 0.900493 S\n0.408070 0.492861 0.099507 S\n0.591930 0.992862 0.400493 S\n0.133926 0.197870 0.949575 S\n0.091930 0.507139 0.599507 S\n0.495681 0.803519 0.091575 S\n0.504320 0.303519 0.408425 S\n0.995681 0.696482 0.908425 S\n0.004319 0.196482 0.591575 S\n0.833874 0.160221 0.227403 S\n0.866075 0.697870 0.550425 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.197601453403234,
"density_atomic": 0.0388391898425293,
"volume": 720.9213197680998,
"volume_molar": 15.505320230458812,
"formula_full": "K8 S20",
"formula_reduced": "K2S5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.3105728571428572,
"spacegroup": 19
},
{
"id": "jvasp-80424",
"created_at": "2022-09-04T14:37:06.848371Z",
"updated_at": "2022-09-04T14:37:06.848391Z",
"structure_string": "Ta2 Cu1 Os1\n1.0\n-8.435329 -0.000000 -4.870139\n-8.643971 -0.023156 5.231517\n-5.682184 8.354041 0.101552\nTa Cu Os\n2 1 1\ndirect\n0.733783 -0.000000 -0.000000 Ta\n0.266217 -0.000000 -0.000000 Ta\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Ta",
"density": 1.4179496390251989,
"density_atomic": 0.005547821338923758,
"volume": 721.0037518576571,
"volume_molar": 108.54965205437307,
"formula_full": "Ta2 Cu1 Os1",
"formula_reduced": "Ta2CuOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.8005359625,
"spacegroup": 71
},
{
"id": "jvasp-56834",
"created_at": "2022-09-04T14:37:32.336724Z",
"updated_at": "2022-09-04T14:37:32.336740Z",
"structure_string": "Ho7 Fe1 I12\n1.0\n9.110114 0.012870 -2.774745\n-3.749135 8.302910 -2.774744\n0.008298 0.012870 9.523304\nHo Fe I\n7 1 12\ndirect\n0.208590 0.476719 0.407350 Ho\n0.592649 0.791410 0.523280 Ho\n0.523280 0.592649 0.791409 Ho\n0.407350 0.208590 0.476719 Ho\n0.000000 0.000000 0.000000 Ho\n0.476719 0.407351 0.208590 Ho\n0.791409 0.523281 0.592649 Ho\n0.500000 0.500000 0.500000 Fe\n0.573675 0.731276 0.178005 I\n0.178005 0.573675 0.731276 I\n0.889253 0.657317 0.968885 I\n0.426324 0.268724 0.821994 I\n0.968885 0.889253 0.657316 I\n0.268724 0.821994 0.426324 I\n0.731276 0.178006 0.573675 I\n0.110747 0.342683 0.031115 I\n0.031115 0.110747 0.342683 I\n0.342683 0.031115 0.110747 I\n0.821994 0.426325 0.268724 I\n0.657316 0.968885 0.889253 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"I"
],
"chemical_system": "Fe-Ho-I",
"density": 6.290888477890748,
"density_atomic": 0.027721692614082045,
"volume": 721.4566685527858,
"volume_molar": 21.723568051327703,
"formula_full": "Ho7 Fe1 I12",
"formula_reduced": "Ho7FeI12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 0.5326834883333335,
"spacegroup": 148
},
{
"id": "jvasp-80997",
"created_at": "2022-09-04T14:37:08.645643Z",
"updated_at": "2022-09-04T14:37:08.645667Z",
"structure_string": "Zn1 Ni1 Pd2\n1.0\n-8.247590 0.000000 -4.761748\n-8.613103 0.030157 5.394837\n-5.634446 8.455070 0.235653\nZn Ni Pd\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n0.757721 -0.000000 0.000000 Pd\n0.242279 -0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Zn",
"density": 0.7748242909544636,
"density_atomic": 0.005539345533251356,
"volume": 722.1069666062469,
"volume_molar": 108.71574491698598,
"formula_full": "Zn1 Ni1 Pd2",
"formula_reduced": "ZnNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.23092605,
"spacegroup": 71
},
{
"id": "jvasp-24258",
"created_at": "2022-09-04T14:37:47.649659Z",
"updated_at": "2022-09-04T14:37:47.649671Z",
"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Zn",
"Si",
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S-Si-Zn",
"density": 6.047394290140247,
"density_atomic": 0.0691872778597164,
"volume": 722.6762137018834,
"volume_molar": 8.704115765633166,
"formula_full": "Zn4 Si6 Pb8 S2 O30",
"formula_reduced": "Zn2Si3Pb4SO15",
"formula_anonymous": "AB2C3D4E15",
"energy_above_hull": 2.2334056952,
"spacegroup": 4
},
{
"id": "jvasp-112977",
"created_at": "2022-09-04T14:38:45.604126Z",
"updated_at": "2022-09-04T14:38:45.604148Z",
"structure_string": "Yb4 Tm8 Se16\n1.0\n3.993730 -0.000000 0.000000\n0.000000 13.329230 0.000000\n-0.000000 -0.000000 13.583517\nYb Tm Se\n4 8 16\ndirect\n0.250000 0.369234 0.585463 Yb\n0.250000 0.869234 0.914538 Yb\n0.750000 0.630766 0.414538 Yb\n0.750000 0.130766 0.085462 Yb\n0.750000 0.351601 0.300679 Tm\n0.750000 0.851601 0.199321 Tm\n0.250000 0.148399 0.800679 Tm\n0.250000 0.648399 0.699321 Tm\n0.750000 0.892968 0.580615 Tm\n0.250000 0.607032 0.080615 Tm\n0.250000 0.107032 0.419385 Tm\n0.750000 0.392968 0.919385 Tm\n0.250000 0.469973 0.385499 Se\n0.250000 0.535255 0.879238 Se\n0.250000 0.035255 0.620762 Se\n0.750000 0.030027 0.885499 Se\n0.750000 0.530027 0.614501 Se\n0.250000 0.969973 0.114501 Se\n0.750000 0.242924 0.479057 Se\n0.250000 0.714348 0.262132 Se\n0.250000 0.757076 0.520944 Se\n0.250000 0.257076 0.979057 Se\n0.750000 0.285653 0.737869 Se\n0.750000 0.785653 0.762132 Se\n0.750000 0.964745 0.379238 Se\n0.250000 0.214347 0.237869 Se\n0.750000 0.742924 0.020944 Se\n0.750000 0.464745 0.120762 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"Se"
],
"chemical_system": "Se-Tm-Yb",
"density": 7.59427761781811,
"density_atomic": 0.03872237960923584,
"volume": 723.0960566618071,
"volume_molar": 15.552093700779778,
"formula_full": "Yb4 Tm8 Se16",
"formula_reduced": "Yb(TmSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9284746666666668,
"spacegroup": 62
},
{
"id": "jvasp-116961",
"created_at": "2022-09-04T14:38:48.482303Z",
"updated_at": "2022-09-04T14:38:48.482314Z",
"structure_string": "Na12 Sb4 Se12\n1.0\n8.977083 -0.000000 0.000000\n0.000000 8.977083 0.000000\n-0.000000 -0.000000 8.977083\nNa Sb Se\n12 4 12\ndirect\n0.918169 0.418169 0.081831 Na\n0.418169 0.081831 0.918169 Na\n0.081831 0.918169 0.418169 Na\n0.581831 0.581831 0.581831 Na\n0.176216 0.676216 0.823783 Na\n0.676216 0.823783 0.176216 Na\n0.823783 0.176216 0.676216 Na\n0.323784 0.323784 0.323784 Na\n0.685949 0.185950 0.314050 Na\n0.185950 0.314050 0.685949 Na\n0.314050 0.685949 0.185950 Na\n0.814050 0.814050 0.814050 Na\n0.039119 0.039119 0.039119 Sb\n0.539119 0.460881 0.960881 Sb\n0.960881 0.539119 0.460881 Sb\n0.460881 0.960881 0.539119 Sb\n0.997916 0.759471 0.115852 Se\n0.884148 0.497916 0.740528 Se\n0.259471 0.384148 0.002084 Se\n0.497916 0.740528 0.884148 Se\n0.384148 0.002084 0.259471 Se\n0.759471 0.115852 0.997916 Se\n0.002084 0.259471 0.384148 Se\n0.115852 0.997916 0.759471 Se\n0.740528 0.884148 0.497916 Se\n0.502084 0.240529 0.615852 Se\n0.615852 0.502084 0.240529 Se\n0.240529 0.615852 0.502084 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Se"
],
"chemical_system": "Na-Sb-Se",
"density": 3.926002004748811,
"density_atomic": 0.03870368439117234,
"volume": 723.4453370642493,
"volume_molar": 15.559605899880552,
"formula_full": "Na12 Sb4 Se12",
"formula_reduced": "Na3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4666276000000001,
"spacegroup": 198
}
]
}