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=440",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=438",
"results": [
{
"id": "jvasp-119429",
"created_at": "2022-09-04T14:38:51.378989Z",
"updated_at": "2022-09-04T14:38:51.379010Z",
"structure_string": "Mg2 Cu4 Si2 Se8\n1.0\n6.571608 -0.000000 0.000000\n0.000000 6.835380 0.000000\n0.000000 -0.000000 7.997721\nMg Cu Si Se\n2 4 2 8\ndirect\n0.994960 0.653651 0.500000 Mg\n0.494960 0.346349 -0.000000 Mg\n0.007718 0.177868 0.752638 Cu\n0.007718 0.177868 0.247362 Cu\n0.507719 0.822132 0.747361 Cu\n0.507719 0.822132 0.252638 Cu\n0.497539 0.324686 0.500000 Si\n0.997539 0.675314 -0.000000 Si\n0.375050 0.158446 0.733163 Se\n0.375050 0.158446 0.266837 Se\n0.875050 0.841554 0.766837 Se\n0.875050 0.841554 0.233163 Se\n0.851443 0.304968 0.500000 Se\n0.351443 0.695032 -0.000000 Se\n0.390323 0.648146 0.500000 Se\n0.890323 0.351854 -0.000000 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Mg-Se-Si",
"density": 4.578957226380359,
"density_atomic": 0.04453684209509736,
"volume": 359.2531317293663,
"volume_molar": 13.521705798406664,
"formula_full": "Mg2 Cu4 Si2 Se8",
"formula_reduced": "MgCu2SiSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9486377520833332,
"spacegroup": 31
},
{
"id": "jvasp-61862",
"created_at": "2022-09-04T14:36:18.779800Z",
"updated_at": "2022-09-04T14:36:18.779841Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842749 0.004017\n7.642463 0.000000 0.000000\n0.000000 -0.030450 -9.706724\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991967 0.393734 0.836438 Ca\n0.008033 0.893734 0.663561 Ca\n0.008033 0.606266 0.163561 Ca\n0.991967 0.106266 0.336439 Ca\n0.529252 0.732420 0.915934 Si\n0.470749 0.232420 0.584065 Si\n0.470749 0.267579 0.084065 Si\n0.529251 0.767579 0.415935 Si\n0.428438 0.911363 0.159018 B\n0.571562 0.411363 0.340982 B\n0.571562 0.088637 0.840982 B\n0.428438 0.588637 0.659017 B\n0.810024 0.535200 0.577336 H\n0.189976 0.035200 0.922663 H\n0.810024 0.964800 0.077336 H\n0.189976 0.464800 0.422664 H\n0.678290 0.335260 0.211214 O\n0.260998 0.413722 0.336700 O\n0.739002 0.913721 0.163299 O\n0.687365 0.588984 0.354292 O\n0.312635 0.088984 0.145708 O\n0.312635 0.411016 0.645707 O\n0.687365 0.911015 0.854292 O\n0.321711 0.835259 0.288786 O\n0.678290 0.164740 0.711214 O\n0.241713 0.095466 0.535982 O\n0.325923 0.697587 0.542357 O\n0.674078 0.197587 0.957642 O\n0.674078 0.302413 0.457642 O\n0.325922 0.802413 0.042357 O\n0.758288 0.904534 0.464017 O\n0.241713 0.404534 0.035982 O\n0.260998 0.086278 0.836700 O\n0.758288 0.595466 0.964017 O\n0.321711 0.664740 0.788786 O\n0.739002 0.586278 0.663299 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9578517639127293,
"density_atomic": 0.10020874999991972,
"volume": 359.250065488581,
"volume_molar": 6.0095957289207025,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-63195",
"created_at": "2022-09-04T14:35:46.000551Z",
"updated_at": "2022-09-04T14:35:46.000591Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.957917246966626,
"density_atomic": 0.10021096849344167,
"volume": 359.24211232781397,
"volume_molar": 6.009462687105075,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-63554",
"created_at": "2022-09-04T14:35:50.690076Z",
"updated_at": "2022-09-04T14:35:50.690102Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842629 0.003699\n7.642611 0.000000 0.000000\n0.000000 -0.030760 -9.706472\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991970 0.393721 0.836444 Ca\n0.008030 0.893721 0.663555 Ca\n0.008030 0.606279 0.163555 Ca\n0.991970 0.106279 0.336444 Ca\n0.529269 0.732425 0.915931 Si\n0.470731 0.232425 0.584068 Si\n0.470731 0.267575 0.084069 Si\n0.529269 0.767575 0.415931 Si\n0.428425 0.911363 0.159020 B\n0.571575 0.411363 0.340980 B\n0.571575 0.088637 0.840979 B\n0.428425 0.588637 0.659020 B\n0.809999 0.535134 0.577354 H\n0.190001 0.035134 0.922646 H\n0.809999 0.964866 0.077354 H\n0.190001 0.464866 0.422646 H\n0.678288 0.335251 0.211212 O\n0.261007 0.413739 0.336696 O\n0.738994 0.913739 0.163304 O\n0.687385 0.588984 0.354286 O\n0.312615 0.088984 0.145714 O\n0.312615 0.411016 0.645714 O\n0.687385 0.911015 0.854286 O\n0.321712 0.835251 0.288788 O\n0.678288 0.164749 0.711212 O\n0.241711 0.095460 0.535986 O\n0.325914 0.697578 0.542353 O\n0.674086 0.197578 0.957647 O\n0.674086 0.302422 0.457647 O\n0.325914 0.802422 0.042353 O\n0.758289 0.904540 0.464013 O\n0.241711 0.404540 0.035986 O\n0.261007 0.086261 0.836696 O\n0.758289 0.595460 0.964013 O\n0.321712 0.664749 0.788788 O\n0.738994 0.586261 0.663304 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.95794403426852,
"density_atomic": 0.1002118760176359,
"volume": 359.2388590117253,
"volume_molar": 6.009408265084457,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-61086",
"created_at": "2022-09-04T14:36:16.728375Z",
"updated_at": "2022-09-04T14:36:16.728404Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842615 0.003450\n7.642579 0.000000 0.000000\n0.000000 -0.031377 -9.706487\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991979 0.393731 0.836442 Ca\n0.008019 0.893731 0.663558 Ca\n0.008019 0.606269 0.163558 Ca\n0.991980 0.106269 0.336442 Ca\n0.529260 0.732421 0.915934 Si\n0.470738 0.232421 0.584066 Si\n0.470738 0.267579 0.084066 Si\n0.529261 0.767579 0.415934 Si\n0.428421 0.911365 0.159023 B\n0.571578 0.411365 0.340977 B\n0.571577 0.088635 0.840977 B\n0.428421 0.588635 0.659023 B\n0.810012 0.535144 0.577359 H\n0.189986 0.035144 0.922642 H\n0.810013 0.964856 0.077359 H\n0.189986 0.464856 0.422641 H\n0.678301 0.335258 0.211208 O\n0.261009 0.413738 0.336691 O\n0.738989 0.913738 0.163309 O\n0.687375 0.588991 0.354287 O\n0.312623 0.088991 0.145713 O\n0.312623 0.411009 0.645713 O\n0.687375 0.911009 0.854287 O\n0.321698 0.835258 0.288792 O\n0.678301 0.164742 0.711208 O\n0.241713 0.095458 0.535989 O\n0.325913 0.697575 0.542354 O\n0.674085 0.197575 0.957646 O\n0.674086 0.302425 0.457646 O\n0.325913 0.802425 0.042354 O\n0.758285 0.904542 0.464011 O\n0.241713 0.404542 0.035989 O\n0.261009 0.086262 0.836691 O\n0.758285 0.595458 0.964012 O\n0.321697 0.664742 0.788792 O\n0.738989 0.586262 0.663309 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9579600516932367,
"density_atomic": 0.10021241867028965,
"volume": 359.23691372467647,
"volume_molar": 6.009375723994382,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-56571",
"created_at": "2022-09-04T14:38:36.531985Z",
"updated_at": "2022-09-04T14:38:36.532026Z",
"structure_string": "Ba5 Al5 Sn1\n1.0\n3.052835 -5.287666 -0.000000\n3.052835 5.287666 -0.000000\n-0.000000 -0.000000 11.125480\nBa Al Sn\n5 5 1\ndirect\n0.666668 0.333334 0.799975 Ba\n0.666668 0.333334 0.200025 Ba\n0.000000 0.000000 0.673202 Ba\n0.000000 0.000000 0.326798 Ba\n0.333334 0.666668 0.000000 Ba\n0.972325 0.486162 0.500000 Al\n0.333334 0.666668 0.676464 Al\n0.513840 0.486162 0.500000 Al\n0.513839 0.027677 0.500000 Al\n0.333334 0.666668 0.323536 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Sn"
],
"chemical_system": "Al-Ba-Sn",
"density": 4.346879322526169,
"density_atomic": 0.03062503440406063,
"volume": 359.1832699636572,
"volume_molar": 19.664111003256576,
"formula_full": "Ba5 Al5 Sn1",
"formula_reduced": "Ba5Al5Sn",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.7998923227272727,
"spacegroup": 187
},
{
"id": "jvasp-96778",
"created_at": "2022-09-04T14:35:46.874146Z",
"updated_at": "2022-09-04T14:35:46.874170Z",
"structure_string": "Ce4 Ni14 P8\n1.0\n3.783435 0.000000 0.000000\n0.000000 9.155554 0.000000\n0.000000 0.000000 10.368713\nCe Ni P\n4 14 8\ndirect\n0.000000 0.059856 0.001893 Ce\n0.499999 0.940143 0.501893 Ce\n0.000000 0.441197 0.778256 Ce\n0.499999 0.558803 0.278256 Ce\n0.499999 0.186778 0.766256 Ni\n0.000000 0.813221 0.266257 Ni\n0.499999 0.220272 0.166501 Ni\n0.000000 0.779728 0.666501 Ni\n0.499999 0.244263 0.398773 Ni\n0.499999 0.559014 0.974521 Ni\n0.000000 0.755737 0.898773 Ni\n0.499999 0.599796 0.577721 Ni\n0.000000 0.400204 0.077721 Ni\n0.499999 0.808062 0.064818 Ni\n0.000000 0.191937 0.564818 Ni\n0.499999 0.921633 0.811972 Ni\n0.000000 0.078367 0.311972 Ni\n0.000000 0.440985 0.474521 Ni\n0.000000 0.689578 0.464874 P\n0.000000 0.028604 0.719432 P\n0.499999 0.971396 0.219432 P\n0.000000 0.315616 0.282447 P\n0.499999 0.684384 0.782447 P\n0.000000 0.655578 0.087844 P\n0.499999 0.344422 0.587844 P\n0.499999 0.310421 0.964873 P\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"P"
],
"chemical_system": "Ce-Ni-P",
"density": 7.535823826018044,
"density_atomic": 0.07238983533768023,
"volume": 359.1664475919387,
"volume_molar": 8.319041937183917,
"formula_full": "Ce4 Ni14 P8",
"formula_reduced": "Ce2Ni7P4",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.158350753846154,
"spacegroup": 31
},
{
"id": "jvasp-112007",
"created_at": "2022-09-04T14:38:41.690930Z",
"updated_at": "2022-09-04T14:38:41.690956Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n5.012808 -0.013217 1.038620\n-0.145451 6.862983 1.796035\n-0.085167 -0.029635 10.414974\nSn H C O\n1 24 13 4\ndirect\n0.941903 0.647401 0.981296 Sn\n0.603781 0.949868 0.340995 H\n0.699395 0.322763 0.147298 H\n0.517490 0.533972 0.179485 H\n0.188669 0.942043 0.780579 H\n0.138699 0.735584 0.716297 H\n0.426241 0.825222 0.501682 H\n0.819757 0.467784 0.243995 H\n0.004313 0.852755 0.407412 H\n0.257907 0.723389 0.326746 H\n0.393063 0.054400 0.149767 H\n0.068283 0.133669 0.210352 H\n0.864497 0.890346 0.750376 H\n0.482495 0.501081 0.453298 H\n0.757104 0.202995 0.438681 H\n0.900559 0.194365 0.698183 H\n0.961885 0.392614 0.760582 H\n0.652781 0.162846 0.929942 H\n0.325557 0.382350 0.618502 H\n0.425668 0.170038 0.821268 H\n0.919773 0.492103 0.519109 H\n0.585885 0.080781 0.600733 H\n0.154197 0.116962 0.519401 H\n0.320081 0.246154 0.357538 H\n0.685506 0.606238 0.621474 H\n0.575835 0.257331 0.844501 C\n0.345678 0.131347 0.447396 C\n0.809382 0.324349 0.725205 C\n0.738929 0.464675 0.599073 C\n0.513610 0.391866 0.544677 C\n0.564719 0.195226 0.509653 C\n0.438112 0.425119 0.893586 C\n0.202821 0.868636 0.341346 C\n0.407985 0.937859 0.409486 C\n0.080464 0.897552 0.115584 C\n0.713505 0.469526 0.161927 C\n0.047284 0.828871 0.781393 C\n0.188966 0.005806 0.201706 C\n0.855329 0.930199 0.081467 O\n0.567249 0.577564 0.885272 O\n0.184272 0.402990 0.942640 O\n0.225511 0.759289 0.079528 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.678442773534487,
"density_atomic": 0.11693796472008033,
"volume": 359.16479391904323,
"volume_molar": 5.14985939289731,
"formula_full": "Sn1 H24 C13 O4",
"formula_reduced": "SnH24C13O4",
"formula_anonymous": "AB4C13D24",
"energy_above_hull": 4.639496802380953,
"spacegroup": 1
},
{
"id": "jvasp-116796",
"created_at": "2022-09-04T14:38:43.680083Z",
"updated_at": "2022-09-04T14:38:43.680104Z",
"structure_string": "Mn6 Pb6 O18\n1.0\n5.522675 0.000000 0.181267\n2.761337 4.782095 0.090633\n-0.050725 0.000000 13.596629\nMn Pb O\n6 6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.672618 0.674137 0.844907 Mn\n0.653244 0.674137 0.655093 Mn\n0.327380 0.325864 0.155093 Mn\n0.346754 0.325864 0.344907 Mn\n0.329222 0.341824 0.591492 Pb\n0.328951 0.341824 0.908508 Pb\n0.670776 0.658177 0.408508 Pb\n0.990883 0.018231 0.750000 Pb\n0.009116 0.981770 0.250000 Pb\n0.671047 0.658177 0.091492 Pb\n0.788857 0.328889 0.582090 O\n0.206766 0.167147 0.438500 O\n0.626088 0.167147 0.061500 O\n0.288695 0.828257 0.595152 O\n0.883045 0.828257 0.904848 O\n0.711303 0.171744 0.404848 O\n0.116953 0.171744 0.095152 O\n0.882251 0.328889 0.917910 O\n0.039749 0.473303 0.261214 O\n0.117747 0.671112 0.082090 O\n0.513050 0.526698 0.761214 O\n0.960249 0.526698 0.738786 O\n0.486948 0.473303 0.238786 O\n0.373911 0.832854 0.938500 O\n0.513282 0.973434 0.750000 O\n0.486716 0.026567 0.250000 O\n0.211141 0.671112 0.417910 O\n0.793232 0.832854 0.561500 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb",
"density": 8.604007147537411,
"density_atomic": 0.08353512850525156,
"volume": 359.13035074955326,
"volume_molar": 7.20911174467327,
"formula_full": "Mn6 Pb6 O18",
"formula_reduced": "MnPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.174245712275862,
"spacegroup": 15
},
{
"id": "jvasp-29210",
"created_at": "2022-09-04T14:37:41.086755Z",
"updated_at": "2022-09-04T14:37:41.086780Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386453 0.000001 -0.000013\n-1.693226 2.932755 -0.000006\n-0.000138 -0.000177 36.159863\nTe Mo W Se\n2 2 2 6\ndirect\n0.666661 0.333374 0.416165 Te\n0.666666 0.333364 0.520874 Te\n0.333333 0.666635 0.096707 Mo\n0.666616 0.333305 0.277163 Mo\n0.333331 0.666703 0.468522 W\n0.666717 0.333362 0.660521 W\n0.333289 0.666643 0.322923 Se\n0.333389 0.666697 0.706415 Se\n0.666654 0.333285 0.051025 Se\n0.666676 0.333315 0.142449 Se\n0.333278 0.666636 0.231435 Se\n0.333374 0.666683 0.614550 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.957891289496935,
"density_atomic": 0.03341439169639049,
"volume": 359.1266933432241,
"volume_molar": 18.022595816552087,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.447865627777778,
"spacegroup": 156
},
{
"id": "jvasp-36964",
"created_at": "2022-09-04T14:38:03.896798Z",
"updated_at": "2022-09-04T14:38:03.896830Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n0.000000 4.441303 0.003186\n11.329881 0.000000 0.000000\n0.000000 -2.215194 -7.138474\nRb Pb Br\n2 2 6\ndirect\n0.750105 0.009551 0.500204 Rb\n0.249895 0.509551 0.499795 Rb\n0.999987 0.759544 -0.000014 Pb\n0.000012 0.259544 0.000013 Pb\n0.642164 0.707683 0.284354 Br\n0.357835 0.207683 0.715645 Br\n0.642197 0.311382 0.284396 Br\n0.357802 0.811382 0.715603 Br\n0.068663 0.009541 0.137277 Br\n0.931336 0.509541 0.862721 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.92329905311273,
"density_atomic": 0.0278455342517368,
"volume": 359.12401283434787,
"volume_molar": 21.626953555844896,
"formula_full": "Rb2 Pb2 Br6",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-104011",
"created_at": "2022-09-04T14:36:51.634367Z",
"updated_at": "2022-09-04T14:36:51.634387Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.421855 -0.064144 0.274256\n1.428171 4.195667 0.329308\n-0.011557 -0.140125 19.251801\nSn H C F\n2 24 12 4\ndirect\n0.314439 0.714661 0.536515 Sn\n0.212519 0.443385 0.059705 Sn\n0.830859 -0.012115 0.902186 H\n0.490517 0.962416 0.955348 H\n0.384142 0.598007 0.876695 H\n0.750371 0.557058 0.829965 H\n0.077571 0.740294 0.367266 H\n0.695086 0.394127 0.442199 H\n0.573967 0.798295 0.411847 H\n0.286716 0.256684 0.292383 H\n0.650113 0.159636 0.334181 H\n0.355534 0.770504 0.245674 H\n0.717484 0.682558 0.287713 H\n0.150606 0.364179 0.410857 H\n0.543756 0.128699 0.784995 H\n0.177244 0.163069 0.830430 H\n0.721678 0.506765 0.725382 H\n0.669398 0.844334 0.669180 H\n0.649986 0.300395 0.621558 H\n0.590048 0.274589 0.177458 H\n0.254732 0.409964 0.657184 H\n0.947144 0.201011 0.219125 H\n0.961953 0.757604 0.171708 H\n0.641376 0.782212 0.120328 H\n0.132547 0.704744 0.761196 H\n0.104446 0.057887 0.711106 H\n0.444533 0.360831 0.317643 C\n0.548358 0.728165 0.856402 C\n0.487518 0.602141 0.431751 C\n0.267790 0.523665 0.382968 C\n0.674708 0.843291 0.917066 C\n0.560719 0.572901 0.263746 C\n0.740529 0.395561 0.200473 C\n0.545131 0.682480 0.693294 C\n0.269682 0.863671 0.741475 C\n0.846369 0.610903 0.145912 C\n0.448720 0.502063 0.638318 C\n0.381163 -0.005745 0.803825 C\n0.083602 0.990617 0.040777 F\n0.196029 0.200627 0.539089 F\n0.822958 0.824944 0.536970 F\n0.874119 0.558916 0.953705 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.2276258669314903,
"density_atomic": 0.11695975035143108,
"volume": 359.09789370960385,
"volume_molar": 5.1489001489017925,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.037994393571429,
"spacegroup": 1
}
]
}