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=153",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=151",
"results": [
{
"id": "jvasp-96927",
"created_at": "2022-09-04T14:35:42.865466Z",
"updated_at": "2022-09-04T14:35:42.865493Z",
"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n5.581046 0.000000 -0.361818\n0.000000 9.584870 0.000000\n-0.140685 0.000000 10.305425\nFe Co As H O\n4 2 4 20 28\ndirect\n0.660015 0.864908 0.549196 Fe\n0.839987 0.364908 0.450804 Fe\n0.339986 0.135092 0.450804 Fe\n0.160015 0.635092 0.549196 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.174641 0.931313 0.710004 As\n0.325360 0.431313 0.289996 As\n0.674642 0.568687 0.710004 As\n0.825360 0.068687 0.289996 As\n0.550370 0.054814 0.877172 H\n0.980362 0.156291 0.583760 H\n0.519640 0.656291 0.416240 H\n0.761326 0.079839 0.783149 H\n0.738676 0.579839 0.216851 H\n0.238676 0.920161 0.216851 H\n0.261326 0.420161 0.783150 H\n0.949632 0.554814 0.122828 H\n0.211238 0.212652 0.132498 H\n0.050370 0.445186 0.877172 H\n0.788764 0.787348 0.867503 H\n0.711238 0.287348 0.132497 H\n0.480362 0.343709 0.583760 H\n0.288763 0.712652 0.867503 H\n0.821294 0.747104 0.021671 H\n0.678708 0.247104 0.978329 H\n0.449631 0.945186 0.122828 H\n0.019639 0.843709 0.416240 H\n0.321293 0.752896 0.021671 H\n0.178708 0.252896 0.978330 H\n0.431935 0.725546 0.467040 O\n0.882568 0.512913 0.603640 O\n0.617434 0.012913 0.396361 O\n0.117433 0.487087 0.396361 O\n0.382568 0.987087 0.603640 O\n0.396663 0.502461 0.653485 O\n0.103338 0.002461 0.346515 O\n0.603338 0.497539 0.346515 O\n0.896664 0.997539 0.653485 O\n0.749241 0.501696 0.861868 O\n0.750760 0.001696 0.138132 O\n0.250760 0.498304 0.138132 O\n0.249241 0.998304 0.861869 O\n0.678612 0.748419 0.715079 O\n0.321390 0.251581 0.284921 O\n0.178612 0.751581 0.715079 O\n0.931935 0.774454 0.467040 O\n0.568067 0.274454 0.532960 O\n0.378274 0.690803 0.953507 O\n0.121727 0.190803 0.046494 O\n0.621727 0.309197 0.046494 O\n0.878275 0.809197 0.953507 O\n0.216027 0.404989 0.874092 O\n0.283974 0.904989 0.125908 O\n0.783975 0.595011 0.125908 O\n0.716027 0.095011 0.874092 O\n0.821390 0.248419 0.284921 O\n0.068066 0.225546 0.532960 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Fe",
"Co",
"As",
"H",
"O"
],
"chemical_system": "As-Co-Fe-H-O",
"density": 3.3436955530686423,
"density_atomic": 0.10530398104127812,
"volume": 550.7863940800545,
"volume_molar": 5.718815851453308,
"formula_full": "Fe4 Co2 As4 H20 O28",
"formula_reduced": "Fe2CoAs2(H5O7)2",
"formula_anonymous": "AB2C2D10E14",
"energy_above_hull": 3.2526587724137928,
"spacegroup": 14
},
{
"id": "jvasp-12459",
"created_at": "2022-09-04T14:37:27.981581Z",
"updated_at": "2022-09-04T14:37:27.981605Z",
"structure_string": "Pr4 I10\n1.0\n0.000000 8.689954 -0.339500\n4.346658 0.000000 0.000000\n0.000000 -0.593655 -14.557847\nPr I\n4 10\ndirect\n0.090692 0.750000 0.154537 Pr\n0.909307 0.250000 0.845463 Pr\n0.580097 0.750000 0.657442 Pr\n0.419902 0.250000 0.342559 Pr\n0.660338 0.750000 0.275891 I\n0.339661 0.250000 0.724109 I\n0.151090 0.750000 0.928099 I\n0.848909 0.250000 0.071902 I\n0.695575 0.250000 0.508193 I\n0.304424 0.750000 0.491807 I\n0.050196 0.250000 0.318092 I\n0.949803 0.750000 0.681909 I\n0.361731 0.250000 0.120609 I\n0.638268 0.750000 0.879391 I\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 5.525520255297714,
"density_atomic": 0.0254194755970065,
"volume": 550.7588048609742,
"volume_molar": 23.691050340586848,
"formula_full": "Pr4 I10",
"formula_reduced": "Pr2I5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.236725230952381,
"spacegroup": 11
},
{
"id": "jvasp-20150",
"created_at": "2022-09-04T14:37:38.052263Z",
"updated_at": "2022-09-04T14:37:38.052291Z",
"structure_string": "Lu16 O24\n1.0\n8.431432 0.000000 -2.980962\n-4.215717 7.301834 -2.980962\n0.000000 0.000000 8.942884\nLu O\n16 24\ndirect\n0.500000 0.500000 0.500000 Lu\n0.249999 0.716661 0.466661 Lu\n0.033338 0.750000 0.783338 Lu\n0.783339 0.033339 0.750000 Lu\n0.466661 0.250000 0.716661 Lu\n0.716661 0.466661 0.250000 Lu\n0.750000 0.283339 0.533339 Lu\n0.749999 0.783338 0.033339 Lu\n0.216660 0.966661 0.250000 Lu\n0.533338 0.750000 0.283339 Lu\n0.283338 0.533339 0.750000 Lu\n0.250000 0.216661 0.966661 Lu\n-0.000000 0.500000 -0.000000 Lu\n0.500000 -0.000000 0.000000 Lu\n0.966661 0.250000 0.216661 Lu\n-0.000000 -0.000000 0.500000 Lu\n0.955811 0.727369 0.988482 O\n0.544188 0.532670 0.771557 O\n0.238886 0.967329 0.511517 O\n0.728442 0.261113 0.772630 O\n0.032670 0.488482 0.761112 O\n0.988481 0.955811 0.727369 O\n0.227369 0.271558 0.738887 O\n0.272630 0.011518 0.044188 O\n0.228442 0.455812 0.467329 O\n0.455811 0.467329 0.228442 O\n0.761113 0.032671 0.488482 O\n0.271557 0.738887 0.227369 O\n0.044188 0.272630 0.011518 O\n0.261112 0.772630 0.728442 O\n0.488482 0.761112 0.032670 O\n0.011518 0.044188 0.272630 O\n0.467329 0.228442 0.455812 O\n0.967329 0.511517 0.238887 O\n0.772630 0.728442 0.261113 O\n0.727369 0.988482 0.955811 O\n0.771557 0.544188 0.532670 O\n0.532670 0.771557 0.544188 O\n0.738887 0.227369 0.271558 O\n0.511517 0.238887 0.967329 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 9.60145990589124,
"density_atomic": 0.07265225467398116,
"volume": 550.5679098259993,
"volume_molar": 8.28899362727789,
"formula_full": "Lu16 O24",
"formula_reduced": "Lu2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3173303999999997,
"spacegroup": 206
},
{
"id": "jvasp-23033",
"created_at": "2022-09-04T14:38:27.380562Z",
"updated_at": "2022-09-04T14:38:27.380575Z",
"structure_string": "Ba4 Ca4 Al4 F28\n1.0\n0.000000 5.378496 0.008176\n5.397450 0.000000 0.000000\n0.000000 -4.613393 -18.964103\nBa Ca Al F\n4 4 4 28\ndirect\n0.681470 0.761428 0.432515 Ba\n0.318531 0.761428 0.067484 Ba\n0.318531 0.238572 0.567484 Ba\n0.681470 0.238572 0.932515 Ba\n0.500000 0.321299 0.250000 Ca\n0.000000 0.794462 0.250000 Ca\n0.500001 0.678701 0.750000 Ca\n0.000000 0.205538 0.750000 Ca\n0.181513 0.774031 0.880525 Al\n0.818488 0.774031 0.619474 Al\n0.818488 0.225969 0.119474 Al\n0.181513 0.225969 0.380525 Al\n0.882465 0.138804 0.318754 F\n0.964304 0.407067 0.063681 F\n0.117536 0.861195 0.681245 F\n0.882465 0.861195 0.818754 F\n0.117536 0.138804 0.181245 F\n0.724617 0.361716 0.807698 F\n0.760772 0.486472 0.173693 F\n0.760772 0.513528 0.673693 F\n0.239229 0.513528 0.826306 F\n0.275384 0.361716 0.692301 F\n0.035697 0.407067 0.436319 F\n0.239229 0.486472 0.326306 F\n0.035697 0.592933 0.936319 F\n0.657399 0.969966 0.675771 F\n0.501744 0.718885 0.560350 F\n0.498257 0.718885 0.939649 F\n0.498257 0.281115 0.439649 F\n0.501744 0.281115 0.060350 F\n0.724617 0.638284 0.307698 F\n0.342602 0.969966 0.824229 F\n0.342602 0.030034 0.324229 F\n0.657399 0.030034 0.175771 F\n0.160624 0.951128 0.434260 F\n0.839377 0.951128 0.065740 F\n0.839377 0.048872 0.565740 F\n0.160624 0.048872 0.934260 F\n0.964304 0.592933 0.563681 F\n0.275384 0.638284 0.192301 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ba-Ca-F",
"density": 4.071939343563541,
"density_atomic": 0.07268400344622632,
"volume": 550.3274187365467,
"volume_molar": 8.285372949297365,
"formula_full": "Ba4 Ca4 Al4 F28",
"formula_reduced": "BaCaAlF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-51056",
"created_at": "2022-09-04T14:38:36.232029Z",
"updated_at": "2022-09-04T14:38:36.232061Z",
"structure_string": "Cu4 As4 Pb4 S12\n1.0\n0.000000 8.125979 -0.000018\n7.698503 0.000000 0.000000\n0.000000 -0.000019 -8.793964\nCu As Pb S\n4 4 4 12\ndirect\n0.276733 0.759958 0.569198 Cu\n0.723264 0.259959 0.069198 Cu\n0.723264 0.740041 0.069198 Cu\n0.276733 0.240041 0.569198 Cu\n0.935818 0.000000 0.424195 As\n0.503502 0.500000 0.339754 As\n0.496496 0.000000 0.839754 As\n0.064180 0.500000 0.924195 As\n0.556083 0.500000 0.808856 Pb\n0.443915 0.000000 0.308856 Pb\n0.078430 0.000000 -0.000034 Pb\n0.921568 0.500000 0.499966 Pb\n0.221677 0.500000 0.702776 S\n0.247674 0.000000 0.716780 S\n0.559459 0.274985 0.506652 S\n0.440539 0.774985 0.006652 S\n0.559459 0.725015 0.506652 S\n0.893621 0.729309 0.855428 S\n0.893621 0.270691 0.855428 S\n0.106378 0.229309 0.355428 S\n0.440539 0.225015 0.006652 S\n0.752323 0.500000 0.216780 S\n0.778321 0.000000 0.202776 S\n0.106378 0.770690 0.355428 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"As",
"Pb",
"S"
],
"chemical_system": "As-Cu-Pb-S",
"density": 5.334941604810524,
"density_atomic": 0.04362591805912328,
"volume": 550.1316893199682,
"volume_molar": 13.804043623422656,
"formula_full": "Cu4 As4 Pb4 S12",
"formula_reduced": "CuAsPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3862905033333333,
"spacegroup": 31
},
{
"id": "jvasp-88123",
"created_at": "2022-09-04T14:35:56.172544Z",
"updated_at": "2022-09-04T14:35:56.172564Z",
"structure_string": "Ba3 Ta6 Si4 O23\n1.0\n9.155845 0.000000 0.000000\n-4.577923 7.929196 -0.000000\n0.000000 -0.000000 7.577091\nBa Ta Si O\n3 6 4 23\ndirect\n0.000000 0.590029 0.500000 Ba\n0.409972 0.409972 0.500000 Ba\n0.590029 0.000000 0.500000 Ba\n0.237418 0.000000 0.747488 Ta\n0.000000 0.237418 0.252512 Ta\n0.762583 0.762582 0.252512 Ta\n0.762583 0.762582 0.747488 Ta\n0.237418 0.000000 0.252512 Ta\n0.000000 0.237418 0.747488 Ta\n0.333334 0.666667 0.212408 Si\n0.666668 0.333333 0.212408 Si\n0.666668 0.333333 0.787592 Si\n0.333334 0.666667 0.787592 Si\n0.701259 0.514975 0.290618 O\n0.813717 0.298742 0.709382 O\n0.000000 0.826826 0.269502 O\n0.000000 0.826826 0.730498 O\n0.514975 0.701259 0.290618 O\n0.666668 0.333333 0.000000 O\n0.000000 0.279236 0.000000 O\n0.701259 0.514975 0.709382 O\n0.173175 0.173175 0.269502 O\n0.485026 0.186284 0.290618 O\n0.826826 0.000000 0.730498 O\n0.279236 0.000000 0.000000 O\n0.813717 0.298742 0.290618 O\n0.514975 0.701259 0.709382 O\n0.826826 0.000000 0.269502 O\n0.720765 0.720765 0.000000 O\n0.333334 0.666667 0.000000 O\n0.186284 0.485026 0.290618 O\n0.298742 0.813716 0.709382 O\n0.186284 0.485026 0.709382 O\n0.173175 0.173175 0.730498 O\n0.485026 0.186284 0.709382 O\n0.298742 0.813716 0.290618 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-Ta",
"density": 5.97096497526058,
"density_atomic": 0.06544438827277974,
"volume": 550.0853617875969,
"volume_molar": 9.20192077416787,
"formula_full": "Ba3 Ta6 Si4 O23",
"formula_reduced": "Ba3Ta6Si4O23",
"formula_anonymous": "A3B4C6D23",
"energy_above_hull": 3.785331889166666,
"spacegroup": 189
},
{
"id": "jvasp-98078",
"created_at": "2022-09-04T14:36:12.825448Z",
"updated_at": "2022-09-04T14:36:12.825471Z",
"structure_string": "Nb4 Tl4 B8 O24\n1.0\n7.431766 0.000000 0.000000\n0.000000 7.823110 0.000000\n0.000000 0.000000 9.460907\nNb Tl B O\n4 4 8 24\ndirect\n0.237931 0.845166 0.865577 Nb\n0.737931 0.654834 0.365577 Nb\n0.762070 0.154834 0.365577 Nb\n0.262070 0.345166 0.865577 Nb\n0.254916 -0.002056 0.257831 Tl\n0.754916 0.502056 0.757831 Tl\n0.745084 0.002056 0.757831 Tl\n0.245084 0.497944 0.257831 Tl\n0.592942 0.232719 0.075695 B\n0.922916 0.291200 0.078887 B\n0.077085 0.708800 0.578887 B\n0.577085 0.791200 0.078887 B\n0.907059 0.732719 0.075695 B\n0.092942 0.267281 0.575695 B\n0.422915 0.208800 0.578887 B\n0.407059 0.767281 0.575695 B\n0.947047 0.231410 0.213039 O\n0.245985 0.714410 0.511627 O\n0.563570 0.724947 0.511471 O\n0.754015 0.285590 0.011627 O\n0.552954 0.731410 0.213039 O\n0.317947 0.573066 0.864220 O\n0.817947 0.926934 0.364219 O\n0.182054 0.073066 0.864220 O\n0.936431 0.224947 0.511471 O\n0.940282 0.635689 0.502856 O\n0.407937 0.856968 0.698998 O\n0.592064 0.143032 0.198998 O\n0.447047 0.268590 0.713039 O\n0.436431 0.275053 0.011471 O\n0.745986 0.785590 0.011627 O\n0.052953 0.768590 0.713039 O\n0.059719 0.364311 0.002856 O\n0.254015 0.214410 0.511627 O\n0.559719 0.135689 0.502856 O\n0.092064 0.356968 0.698998 O\n0.682054 0.426934 0.364219 O\n0.440282 0.864311 0.002856 O\n0.063570 0.775053 0.011471 O\n0.907937 0.643032 0.198998 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Nb",
"Tl",
"B",
"O"
],
"chemical_system": "B-Nb-O-Tl",
"density": 5.010219398778373,
"density_atomic": 0.07272031546927893,
"volume": 550.052619297261,
"volume_molar": 8.281235747036996,
"formula_full": "Nb4 Tl4 B8 O24",
"formula_reduced": "NbTl(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.144773816666667,
"spacegroup": 33
},
{
"id": "jvasp-29597",
"created_at": "2022-09-04T14:36:46.760905Z",
"updated_at": "2022-09-04T14:36:46.760933Z",
"structure_string": "Ti6 Cl18\n1.0\n6.000012 0.000000 -0.000000\n-3.000005 5.196162 0.000000\n-0.000000 0.000000 17.637124\nTi Cl\n6 18\ndirect\n0.106992 0.893006 0.333333 Ti\n0.782065 0.217935 0.333333 Ti\n0.782064 0.564130 0.666667 Ti\n0.106993 0.213986 0.666667 Ti\n0.786012 0.893006 0.000000 Ti\n0.435870 0.217935 0.000000 Ti\n0.100907 0.554957 0.254217 Cl\n0.787404 0.231348 0.587945 Cl\n0.454048 0.899092 0.920883 Cl\n0.103934 0.888784 0.585740 Cl\n0.787404 0.556055 0.412055 Cl\n0.768651 0.212596 0.078722 Cl\n0.443945 0.231348 0.745388 Cl\n0.111215 0.896065 0.080927 Cl\n0.103934 0.215150 0.414260 Cl\n0.445042 0.899092 0.412450 Cl\n0.768651 0.556055 0.921277 Cl\n0.784848 0.888784 0.747593 Cl\n0.100907 0.545951 0.745783 Cl\n0.445042 0.545951 0.587550 Cl\n0.111216 0.215150 0.919073 Cl\n0.784848 0.896065 0.252407 Cl\n0.454048 0.554957 0.079117 Cl\n0.443945 0.212596 0.254612 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 2.7944437558346467,
"density_atomic": 0.04364642446631539,
"volume": 549.8732208527703,
"volume_molar": 13.797558067208124,
"formula_full": "Ti6 Cl18",
"formula_reduced": "TiCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6142526339583333,
"spacegroup": 151
},
{
"id": "jvasp-88802",
"created_at": "2022-09-04T14:36:12.418028Z",
"updated_at": "2022-09-04T14:36:12.418058Z",
"structure_string": "Re2 P2 Cl18\n1.0\n6.761281 -0.023725 -0.660457\n-1.092931 8.694873 -1.652000\n0.000549 0.054021 9.346337\nRe P Cl\n2 2 18\ndirect\n0.385175 0.370577 0.325930 Re\n0.614826 0.629422 0.674070 Re\n0.049452 0.185635 0.778416 P\n0.950549 0.814364 0.221584 P\n0.628646 0.412610 0.785505 Cl\n0.162338 0.905856 0.122473 Cl\n0.837662 0.094142 0.877526 Cl\n0.735410 0.946299 0.231378 Cl\n0.264590 0.053700 0.768622 Cl\n0.059932 0.804288 0.420967 Cl\n0.940068 0.195711 0.579032 Cl\n0.155532 0.390341 0.889442 Cl\n0.844468 0.609658 0.110558 Cl\n0.720335 0.484690 0.448986 Cl\n0.485664 0.759473 0.876325 Cl\n0.514336 0.240526 0.123675 Cl\n0.946824 0.715331 0.760858 Cl\n0.053176 0.284668 0.239142 Cl\n0.584862 0.840300 0.557964 Cl\n0.415138 0.159699 0.442036 Cl\n0.371354 0.587389 0.214495 Cl\n0.279665 0.515309 0.551014 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Re",
"P",
"Cl"
],
"chemical_system": "Cl-P-Re",
"density": 3.238921577863207,
"density_atomic": 0.04001017299057303,
"volume": 549.8601569451728,
"volume_molar": 15.051523924725101,
"formula_full": "Re2 P2 Cl18",
"formula_reduced": "RePCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 1.1332072825,
"spacegroup": 2
},
{
"id": "jvasp-58953",
"created_at": "2022-09-04T14:38:18.547587Z",
"updated_at": "2022-09-04T14:38:18.547596Z",
"structure_string": "Sr12 Cu6 N10\n1.0\n8.663077 0.000000 0.000000\n0.000000 8.663077 0.000000\n0.000000 0.000000 7.326181\nSr Cu N\n12 6 10\ndirect\n0.000000 0.000000 0.499938 Sr\n0.000000 0.000000 -0.000062 Sr\n0.000000 0.500000 0.024009 Sr\n0.500000 0.000000 0.524009 Sr\n0.265509 0.303407 0.711603 Sr\n0.734492 0.696593 0.711603 Sr\n0.696593 0.265509 0.211603 Sr\n0.303407 0.734492 0.211603 Sr\n0.696593 0.734492 0.211603 Sr\n0.734492 0.303407 0.711603 Sr\n0.265509 0.696593 0.711603 Sr\n0.303407 0.265509 0.211603 Sr\n0.000000 0.641171 0.433374 Cu\n0.641171 0.000000 0.933374 Cu\n0.358829 0.000000 0.933374 Cu\n0.500000 0.500000 0.472936 Cu\n0.500000 0.500000 0.972936 Cu\n0.000000 0.358829 0.433374 Cu\n0.286487 0.500000 0.985682 N\n0.000000 0.500000 0.633674 N\n0.500000 0.000000 0.133674 N\n0.000000 0.780636 0.237608 N\n0.780636 0.000000 0.737608 N\n0.219364 0.000000 0.737608 N\n0.000000 0.219364 0.237608 N\n0.500000 0.713514 0.485682 N\n0.713514 0.500000 0.985682 N\n0.500000 0.286487 0.485682 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"N"
],
"chemical_system": "Cu-N-Sr",
"density": 4.750025165767209,
"density_atomic": 0.05092558635278864,
"volume": 549.8218480201504,
"volume_molar": 11.82537343464526,
"formula_full": "Sr12 Cu6 N10",
"formula_reduced": "Sr6Cu3N5",
"formula_anonymous": "A3B5C6",
"energy_above_hull": 1.8170639614285715,
"spacegroup": 105
},
{
"id": "jvasp-118064",
"created_at": "2022-09-04T14:38:49.690505Z",
"updated_at": "2022-09-04T14:38:49.690539Z",
"structure_string": "Sr1 H1 Cl1\n1.0\n7.366735 0.000000 0.000000\n0.000000 7.366735 -0.000000\n0.000000 0.000000 10.130466\nSr H Cl\n1 1 1\ndirect\n0.000000 -0.000000 0.579624 Sr\n0.000000 -0.000000 0.361986 H\n0.000000 0.000000 -0.160629 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sr",
"density": 0.37477848745146486,
"density_atomic": 0.005456846489152746,
"volume": 549.7680768486844,
"volume_molar": 110.35935813790915,
"formula_full": "Sr1 H1 Cl1",
"formula_reduced": "SrHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5296534591666666,
"spacegroup": 99
},
{
"id": "jvasp-98238",
"created_at": "2022-09-04T14:35:52.394191Z",
"updated_at": "2022-09-04T14:35:52.394210Z",
"structure_string": "Rb8 Ru4 O16\n1.0\n6.187962 0.000000 0.000000\n0.000000 8.096409 0.000000\n0.000000 0.000000 10.973314\nRb Ru O\n8 4 16\ndirect\n0.250000 0.490650 0.797430 Rb\n0.250000 0.990651 0.702569 Rb\n0.750000 0.009350 0.297430 Rb\n0.750000 0.509350 0.202570 Rb\n0.750000 0.344035 0.582384 Rb\n0.250000 0.655966 0.417616 Rb\n0.750000 0.844035 0.917616 Rb\n0.250000 0.155966 0.082384 Rb\n0.750000 0.780295 0.578274 Ru\n0.750000 0.280295 0.921725 Ru\n0.250000 0.219705 0.421725 Ru\n0.250000 0.719705 0.078274 Ru\n0.515074 0.698365 0.652134 O\n0.984925 0.698365 0.652134 O\n0.484926 0.301635 0.347865 O\n0.484926 0.801635 0.152135 O\n0.984925 0.198365 0.847865 O\n0.015074 0.301635 0.347865 O\n0.250000 -0.000054 0.421008 O\n0.250000 0.305094 0.573300 O\n0.250000 0.499946 0.078992 O\n0.750000 0.500054 0.921008 O\n0.250000 0.805094 0.926700 O\n0.750000 0.194906 0.073300 O\n0.015074 0.801635 0.152135 O\n0.750000 0.694907 0.426700 O\n0.750000 0.000054 0.578992 O\n0.515074 0.198365 0.847865 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Ru",
"O"
],
"chemical_system": "O-Rb-Ru",
"density": 4.059519375977229,
"density_atomic": 0.05093075892125855,
"volume": 549.7660076750353,
"volume_molar": 11.824172440293939,
"formula_full": "Rb8 Ru4 O16",
"formula_reduced": "Rb2RuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7840777857142855,
"spacegroup": 62
}
]
}