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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=330",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=328",
"results": [
{
"id": "jvasp-10862",
"created_at": "2022-09-04T14:38:34.431721Z",
"updated_at": "2022-09-04T14:38:34.431746Z",
"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Se"
],
"chemical_system": "Al-Se",
"density": 3.819046433380892,
"density_atomic": 0.03953822009476318,
"volume": 252.91983240602414,
"volume_molar": 15.231188317446867,
"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4226971400000004,
"spacegroup": 9
},
{
"id": "jvasp-119717",
"created_at": "2022-09-04T14:38:36.909277Z",
"updated_at": "2022-09-04T14:38:36.909301Z",
"structure_string": "Cr2 P6 O18\n1.0\n6.512582 -0.007161 -0.090337\n3.240673 5.649199 -0.090151\n-0.105243 -0.060489 9.501151\nCr P O\n2 6 18\ndirect\n0.659532 0.672201 0.499905 Cr\n0.672185 0.659517 0.999907 Cr\n0.774292 0.936237 0.762109 P\n0.936234 0.774295 0.262133 P\n0.287238 0.772582 0.738646 P\n0.772570 0.287239 0.238676 P\n0.938107 0.287151 0.749104 P\n0.287149 0.938099 0.249041 P\n0.753549 0.053297 0.248474 O\n0.053298 0.753555 0.748454 O\n0.929242 0.419324 0.882521 O\n0.419441 0.929180 0.382423 O\n0.910174 0.647056 0.135588 O\n0.647025 0.910252 0.635549 O\n0.053026 0.190171 0.246086 O\n0.190179 0.053026 0.746110 O\n0.903058 0.410200 0.612250 O\n0.755158 0.189177 0.755822 O\n0.410085 0.903094 0.112152 O\n0.690391 0.916206 0.904053 O\n0.661534 0.436260 0.366757 O\n0.436340 0.661446 0.866696 O\n0.394483 0.671829 0.597876 O\n0.671716 0.394555 0.097925 O\n0.189178 0.755154 0.255811 O\n0.916275 0.690359 0.404087 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 2.7437427542091513,
"density_atomic": 0.07434847858829906,
"volume": 349.70453321545,
"volume_molar": 8.099884320898212,
"formula_full": "Cr2 P6 O18",
"formula_reduced": "Cr(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.180834261538461,
"spacegroup": 9
},
{
"id": "jvasp-120448",
"created_at": "2022-09-04T14:38:37.961454Z",
"updated_at": "2022-09-04T14:38:37.961479Z",
"structure_string": "Cu8 Sn4 Se12\n1.0\n7.022913 0.000799 0.596154\n-3.582293 6.040570 0.596154\n-0.025135 -0.044135 13.546161\nCu Sn Se\n8 4 12\ndirect\n0.085559 0.918899 0.742383 Cu\n0.918898 0.085559 0.242383 Cu\n0.232150 0.739928 0.241350 Cu\n0.739927 0.232151 0.741350 Cu\n0.152786 0.315137 0.492013 Cu\n0.315136 0.152787 0.992013 Cu\n0.838142 0.659359 0.490858 Cu\n0.659359 0.838143 0.990858 Cu\n0.427520 0.573763 0.748958 Sn\n0.573762 0.427520 0.248958 Sn\n0.493106 0.004433 0.500098 Sn\n0.004432 0.493107 0.000098 Sn\n0.751693 0.911500 0.810624 Se\n0.114517 0.968707 0.561674 Se\n0.968706 0.114517 0.061674 Se\n0.477369 0.617630 0.548078 Se\n0.617630 0.477370 0.048078 Se\n0.557312 0.040909 0.298799 Se\n0.040908 0.557313 0.798799 Se\n0.832151 0.329153 0.560919 Se\n0.329153 0.832152 0.060919 Se\n0.394389 0.197493 0.811541 Se\n0.197492 0.394389 0.311541 Se\n0.911500 0.751693 0.310624 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.575069451661084,
"density_atomic": 0.04173412681179095,
"volume": 575.0689383830451,
"volume_molar": 14.429775390193601,
"formula_full": "Cu8 Sn4 Se12",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6438887833333333,
"spacegroup": 9
},
{
"id": "jvasp-111706",
"created_at": "2022-09-04T14:38:38.073817Z",
"updated_at": "2022-09-04T14:38:38.073841Z",
"structure_string": "Li8 Mn2 Ge4 S14\n1.0\n9.097344 0.013842 0.638857\n6.632948 6.226222 0.638857\n-0.032032 -0.012707 10.102776\nLi Mn Ge S\n8 2 4 14\ndirect\n0.568658 0.271505 0.292995 Li\n0.271506 0.568657 0.792996 Li\n0.025037 0.679683 0.140177 Li\n0.679684 0.025036 0.640177 Li\n0.975806 0.305970 0.218693 Li\n0.305971 0.975805 0.718693 Li\n0.894675 0.529704 0.858076 Li\n0.529705 0.894674 0.358076 Li\n0.818837 0.169330 0.940004 Mn\n0.169331 0.818836 0.440004 Mn\n0.396417 0.741597 0.079339 Ge\n0.741598 0.396416 0.579339 Ge\n0.448264 0.117752 0.018821 Ge\n0.117753 0.448264 0.518821 Ge\n0.568126 0.190754 0.853096 S\n0.508677 0.846522 0.926846 S\n0.846523 0.508676 0.426846 S\n0.678203 0.391571 0.129090 S\n0.391572 0.678203 0.629090 S\n0.271646 0.925786 0.265500 S\n0.925787 0.271645 0.765500 S\n0.143448 0.796361 0.985828 S\n0.796362 0.143446 0.485828 S\n0.652445 0.983039 0.192028 S\n0.983041 0.652444 0.692028 S\n0.098959 0.394943 0.052534 S\n0.394944 0.098958 0.552534 S\n0.190755 0.568125 0.353096 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ge",
"S"
],
"chemical_system": "Ge-Li-Mn-S",
"density": 2.629359747618106,
"density_atomic": 0.04899714681857862,
"volume": 571.4618466188531,
"volume_molar": 12.290798854672369,
"formula_full": "Li8 Mn2 Ge4 S14",
"formula_reduced": "Li4MnGe2S7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.8640192243842368,
"spacegroup": 9
},
{
"id": "jvasp-110587",
"created_at": "2022-09-04T14:38:38.147157Z",
"updated_at": "2022-09-04T14:38:38.147166Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.330151 -0.011364 2.519372\n-1.207346 5.191624 2.519372\n-0.009021 -0.011335 6.773984\nGa Ag Se S\n2 2 2 2\ndirect\n0.249145 0.492921 0.501402 Ga\n0.492921 0.249146 0.001402 Ga\n0.735316 0.032876 0.498131 Ag\n0.032875 0.735315 -0.001868 Ag\n0.870663 0.605528 0.742395 Se\n0.605528 0.870663 0.242396 Se\n0.362605 0.160944 0.758070 S\n0.160944 0.362605 0.258071 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.1076601382007025,
"density_atomic": 0.04262969066478645,
"volume": 187.6626331377128,
"volume_molar": 14.126634901844335,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5226282379166667,
"spacegroup": 9
},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.339385751151804,
"density_atomic": 0.07533004872820949,
"volume": 212.39864131414458,
"volume_molar": 7.994340720165813,
"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.6556158649999997,
"spacegroup": 9
},
{
"id": "jvasp-112228",
"created_at": "2022-09-04T14:38:42.200195Z",
"updated_at": "2022-09-04T14:38:42.200228Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n5.151120 0.108020 0.995116\n0.838588 5.580411 2.409430\n0.234191 0.115353 6.130615\nSn H C F\n2 8 4 4\ndirect\n0.412881 0.342053 0.576878 Sn\n0.912882 0.823867 0.095064 Sn\n0.083147 0.393043 0.079799 H\n0.296203 0.775989 0.592060 H\n0.484300 0.593437 0.829953 H\n0.898101 0.568205 0.839214 H\n0.398135 0.086216 0.321201 H\n0.796265 0.839062 0.528967 H\n-0.015670 0.076975 0.346409 H\n0.583148 0.326829 0.146060 H\n0.315643 0.603916 0.747102 C\n0.063160 0.564042 0.923630 C\n0.563181 0.170640 0.317046 C\n0.815681 0.994116 0.356901 C\n0.209925 0.066813 0.856205 F\n0.543101 0.685810 0.229379 F\n0.709909 0.103250 0.819838 F\n0.043112 0.476381 0.438764 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.5448571578766366,
"density_atomic": 0.10398825179470016,
"volume": 173.09647666292804,
"volume_molar": 5.791174152912266,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870025807222222,
"spacegroup": 9
},
{
"id": "jvasp-112554",
"created_at": "2022-09-04T14:38:42.173594Z",
"updated_at": "2022-09-04T14:38:42.173604Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.645623 0.006918 0.006006\n-2.326351 4.021189 0.006006\n0.011625 0.020190 14.149572\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.110851 0.119690 0.362721 Na\n0.119689 0.110851 0.862721 Na\n0.114577 0.096296 0.611792 Ca\n0.096296 0.114578 0.111793 Ca\n0.740945 0.421396 0.474075 Be\n0.421395 0.740946 0.974075 Be\n0.792115 0.428663 0.249035 Be\n0.428662 0.792116 0.749035 Be\n0.771765 0.408249 0.000555 B\n0.408248 0.771765 0.500555 B\n0.475678 0.780417 0.222804 B\n0.780416 0.475679 0.722804 B\n0.747942 0.755679 0.731701 O\n0.089778 0.525450 0.695494 O\n0.525450 0.089779 0.195494 O\n0.505359 0.167635 0.735857 O\n0.167634 0.505360 0.235857 O\n0.755678 0.747944 0.231701 O\n0.444103 0.495356 0.495572 O\n0.099977 0.742468 0.485732 O\n0.079870 0.671758 0.025186 O\n0.671757 0.079871 0.525186 O\n0.495354 0.444104 0.995572 O\n0.742466 0.099978 0.985732 O\n0.698875 0.311705 0.361076 F\n0.311704 0.698876 0.861076 F\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-Ca-F-Na-O",
"density": 2.7330115023065726,
"density_atomic": 0.09827871243413863,
"volume": 264.5537304675605,
"volume_molar": 6.127614628687501,
"formula_full": "Na2 Ca2 Be4 B4 O12 F2",
"formula_reduced": "NaCaBe2B2O6F",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 2.210092159166667,
"spacegroup": 9
},
{
"id": "jvasp-112707",
"created_at": "2022-09-04T14:38:42.438900Z",
"updated_at": "2022-09-04T14:38:42.438931Z",
"structure_string": "Ba6 Bi2 Ru2 Ir2 O18\n1.0\n5.971137 0.003761 0.120662\n-2.966902 5.181890 0.120662\n-0.034362 -0.059312 14.895155\nBa Bi Ru Ir O\n6 2 2 2 18\ndirect\n0.340109 0.673799 0.405803 Ba\n0.325729 0.656831 0.096403 Ba\n0.656832 0.325728 0.596403 Ba\n0.673799 0.340108 0.905803 Ba\n0.994255 0.006292 0.249945 Ba\n0.006293 0.994255 0.749945 Ba\n0.998617 0.999405 0.500661 Bi\n0.999406 0.998615 0.000661 Bi\n0.681453 0.350966 0.335153 Ru\n0.350967 0.681453 0.835153 Ru\n0.649405 0.319218 0.166281 Ir\n0.319218 0.649404 0.666281 Ir\n0.504165 0.026740 0.262792 O\n0.974912 0.497501 0.239977 O\n0.494756 0.508687 0.751445 O\n0.508687 0.494755 0.251445 O\n0.213083 0.866212 0.902987 O\n0.132192 0.787653 0.593966 O\n0.787653 0.132191 0.093966 O\n0.866212 0.213082 0.402987 O\n0.597949 0.786585 0.570430 O\n0.134564 0.318836 0.601044 O\n0.318836 0.134563 0.101044 O\n0.861937 0.677305 0.397033 O\n0.216890 0.403964 0.926075 O\n0.026741 0.504165 0.762792 O\n0.786586 0.597948 0.070430 O\n0.403964 0.216890 0.426075 O\n0.677306 0.861937 0.897033 O\n0.497502 0.974911 0.739977 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Bi",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Bi-Ir-O-Ru",
"density": 7.621442598836162,
"density_atomic": 0.06505698616524666,
"volume": 461.1341804829249,
"volume_molar": 9.256716480384728,
"formula_full": "Ba6 Bi2 Ru2 Ir2 O18",
"formula_reduced": "Ba3BiIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.4344376873333333,
"spacegroup": 9
},
{
"id": "jvasp-111955",
"created_at": "2022-09-04T14:38:42.760597Z",
"updated_at": "2022-09-04T14:38:42.760623Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.215098 0.023794 2.911190\n1.839907 7.953899 3.480433\n0.029722 0.023277 5.123243\nMn P O\n2 2 8\ndirect\n0.198677 0.258824 0.286939 Mn\n0.787022 0.758792 0.698642 Mn\n0.162118 0.626232 0.089536 P\n0.589546 0.126220 0.662136 P\n0.038808 0.776854 0.242914 O\n0.203407 0.457364 0.334419 O\n0.274622 0.146655 0.995123 O\n0.509429 0.117177 0.420225 O\n0.495143 0.646636 0.774673 O\n0.742880 0.276821 0.538981 O\n0.920185 0.617176 0.009431 O\n0.834526 0.957336 0.703336 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9176543215331936,
"density_atomic": 0.07032457283764929,
"volume": 170.63736779038956,
"volume_molar": 8.563352064580135,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.791907790229885,
"spacegroup": 9
},
{
"id": "jvasp-112738",
"created_at": "2022-09-04T14:38:43.296675Z",
"updated_at": "2022-09-04T14:38:43.296703Z",
"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n8.132840 0.060411 2.179853\n5.986331 5.505503 2.179853\n-0.018377 -0.007244 5.560253\nCa Al Sb O\n4 2 2 10\ndirect\n0.645747 0.104402 0.822187 Ca\n0.893774 0.343385 0.606187 Ca\n0.343385 0.893774 0.106187 Ca\n0.104401 0.645747 0.322187 Ca\n0.303229 0.678109 0.739903 Al\n0.678109 0.303230 0.239903 Al\n0.487107 0.017204 0.461398 Sb\n0.017203 0.487108 0.961398 Sb\n0.283320 0.331790 0.624348 O\n0.641873 0.834793 0.808480 O\n0.950142 0.183806 0.288640 O\n0.052433 0.721701 0.859446 O\n0.434756 0.570524 0.427381 O\n0.721701 0.052434 0.359446 O\n0.570523 0.434757 0.927380 O\n0.331790 0.283321 0.124348 O\n0.183806 0.950142 0.788640 O\n0.834793 0.641874 0.308480 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sb",
"O"
],
"chemical_system": "Al-Ca-O-Sb",
"density": 4.1498699936419605,
"density_atomic": 0.07281446678657374,
"volume": 247.2036230486964,
"volume_molar": 8.2705278576735,
"formula_full": "Ca4 Al2 Sb2 O10",
"formula_reduced": "Ca2AlSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6052174711111111,
"spacegroup": 9
},
{
"id": "jvasp-112188",
"created_at": "2022-09-04T14:38:44.075492Z",
"updated_at": "2022-09-04T14:38:44.075518Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n5.151551 0.109811 0.992722\n0.837325 5.580919 2.408254\n0.236630 0.115782 6.130293\nSn H C F\n2 8 4 4\ndirect\n0.444353 0.531875 0.525746 Sn\n0.944362 0.050058 0.007564 Sn\n0.959096 0.305815 0.263373 H\n0.372913 0.280525 0.272648 H\n0.561024 0.097970 0.510533 H\n0.774019 0.480861 0.022770 H\n0.273974 0.547088 0.956525 H\n0.872892 0.797020 0.756153 H\n0.061037 0.034901 0.573658 H\n0.459073 0.787683 0.781496 H\n0.541575 0.270035 0.355499 C\n0.794045 0.309910 0.178975 C\n0.294017 0.703296 0.785579 C\n0.041563 0.879843 0.745700 C\n0.147556 0.770734 0.282667 F\n0.814077 0.397505 0.663906 F\n0.647533 0.807019 0.246475 F\n0.314098 0.188197 0.873198 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.544866092218413,
"density_atomic": 0.10398851388328115,
"volume": 173.09604039734208,
"volume_molar": 5.791159557063558,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870028029444444,
"spacegroup": 9
}
]
}