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=4206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4204",
"results": [
{
"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-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-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-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-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-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-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-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-104018",
"created_at": "2022-09-04T14:37:00.583152Z",
"updated_at": "2022-09-04T14:37:00.583174Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.516236 -0.096829 -0.274757\n-1.852455 7.674776 -0.435164\n-0.097144 -0.119935 10.433766\nH Pb C O\n16 2 12 8\ndirect\n0.705154 0.823242 0.693314 H\n0.079190 0.134920 0.299205 H\n0.092344 0.645724 0.289072 H\n0.096609 0.353149 0.345060 H\n0.095858 0.857514 0.347652 H\n0.636153 0.897357 0.455871 H\n0.620724 0.177749 0.402480 H\n0.618980 0.679110 0.400875 H\n0.631634 0.397110 0.451880 H\n0.178486 0.789851 0.581537 H\n0.165857 0.071844 0.530517 H\n0.161304 0.571605 0.526538 H\n0.700898 0.115790 0.637300 H\n0.701608 0.611443 0.634733 H\n0.718369 0.334028 0.683155 H\n0.176789 0.291205 0.579921 H\n0.941933 0.490445 0.989186 Pb\n0.855636 0.978549 0.993222 Pb\n0.240758 0.264346 0.318879 C\n0.362506 0.324818 0.193469 C\n0.392251 0.852104 0.201892 C\n0.476799 0.264840 0.430720 C\n0.477943 0.766713 0.431641 C\n0.248558 0.775372 0.319052 C\n0.405291 0.616870 0.780517 C\n0.319517 0.702248 0.550765 C\n0.556783 0.204605 0.663499 C\n0.548931 0.693593 0.663345 C\n0.435132 0.144149 0.788928 C\n0.320701 0.204111 0.551673 C\n0.228365 0.822542 0.091881 O\n0.131226 0.524181 0.768624 O\n0.182709 0.031928 0.789632 O\n0.569199 0.646487 0.890524 O\n0.615751 0.203771 0.893891 O\n0.666350 0.944742 0.213796 O\n0.614991 0.436997 0.192799 O\n0.181938 0.265247 0.088484 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.247650551493625,
"density_atomic": 0.10577044847657294,
"volume": 359.26859106035283,
"volume_molar": 5.693594805295585,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394828148421052,
"spacegroup": 2
},
{
"id": "jvasp-63014",
"created_at": "2022-09-04T14:36:05.406779Z",
"updated_at": "2022-09-04T14:36:05.406806Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842816 0.001983\n7.642957 0.000000 0.000000\n0.000000 -0.034316 -9.706679\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991971 0.393734 0.836443 Ca\n0.008028 0.893734 0.663558 Ca\n0.008029 0.606266 0.163558 Ca\n0.991972 0.106266 0.336443 Ca\n0.529274 0.732432 0.915928 Si\n0.470726 0.232431 0.584072 Si\n0.470726 0.267569 0.084072 Si\n0.529274 0.767569 0.415928 Si\n0.428438 0.911357 0.159021 B\n0.571563 0.411357 0.340979 B\n0.571562 0.088644 0.840979 B\n0.428438 0.588644 0.659021 B\n0.809998 0.535167 0.577346 H\n0.190002 0.035167 0.922654 H\n0.809999 0.964834 0.077346 H\n0.190002 0.464834 0.422654 H\n0.678278 0.335247 0.211213 O\n0.261002 0.413732 0.336695 O\n0.738999 0.913732 0.163305 O\n0.687371 0.588975 0.354286 O\n0.312629 0.088975 0.145715 O\n0.312629 0.411025 0.645715 O\n0.687371 0.911026 0.854286 O\n0.321723 0.835248 0.288787 O\n0.678277 0.164753 0.711213 O\n0.241707 0.095476 0.535992 O\n0.325932 0.697581 0.542353 O\n0.674068 0.197580 0.957648 O\n0.674069 0.302420 0.457648 O\n0.325932 0.802420 0.042353 O\n0.758293 0.904525 0.464009 O\n0.241707 0.404524 0.035991 O\n0.261001 0.086268 0.836695 O\n0.758293 0.595476 0.964009 O\n0.321723 0.664753 0.788787 O\n0.738999 0.586269 0.663305 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9576299620212554,
"density_atomic": 0.10020123559687784,
"volume": 359.2770067709796,
"volume_molar": 6.010046407239756,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-29446",
"created_at": "2022-09-04T14:38:03.624141Z",
"updated_at": "2022-09-04T14:38:03.624180Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n5.410629 0.000000 0.000000\n-2.705314 4.685742 -0.000000\n0.000000 -0.000000 14.171581\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.936761 Tl\n0.333333 0.666667 0.436761 Tl\n0.333333 0.666667 0.063239 Tl\n0.666667 0.333333 0.563239 Tl\n0.666667 0.333333 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.666680 0.950173 0.829587 O\n0.333321 0.283494 0.329587 O\n0.049827 0.716506 0.829587 O\n0.666680 0.716506 0.670413 O\n0.333321 0.049826 0.170413 O\n0.716506 0.049826 0.329587 O\n0.049827 0.333320 0.670413 O\n0.716507 0.666679 0.170413 O\n0.950174 0.666679 0.329587 O\n0.283494 0.333320 0.829587 O\n0.950174 0.283494 0.170413 O\n0.283495 0.950173 0.670413 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tl",
"density": 6.916725495484132,
"density_atomic": 0.05566542945179932,
"volume": 359.28942248290736,
"volume_molar": 10.818457378855886,
"formula_full": "Tl4 Sb4 O12",
"formula_reduced": "TlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4751038399999998,
"spacegroup": 163
},
{
"id": "jvasp-10081",
"created_at": "2022-09-04T14:38:04.888486Z",
"updated_at": "2022-09-04T14:38:04.888519Z",
"structure_string": "Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 2.879661004327708,
"density_atomic": 0.033395816466706724,
"volume": 359.32644473487136,
"volume_molar": 18.0326202415313,
"formula_full": "Sr4 Ca4 Si4",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4493217766666664,
"spacegroup": 62
}
]
}