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=4099",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4097",
"results": [
{
"id": "jvasp-116714",
"created_at": "2022-09-04T14:38:44.370602Z",
"updated_at": "2022-09-04T14:38:44.370630Z",
"structure_string": "Ba4 Sc1 Ti4 Bi1 O15\n1.0\n14.475448 -0.001132 0.000000\n-13.345411 5.607013 0.000000\n-0.000000 -0.000000 4.026793\nBa Sc Ti Bi O\n4 1 4 1 15\ndirect\n0.599984 0.400016 -0.000000 Ba\n0.200021 0.799979 -0.000000 Ba\n0.799979 0.200021 -0.000000 Ba\n0.400016 0.599984 -0.000000 Ba\n0.500000 0.500000 0.500000 Sc\n0.099652 0.900347 0.500000 Ti\n0.699970 0.300030 0.500000 Ti\n0.300030 0.699970 0.500000 Ti\n0.900348 0.099653 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n0.402040 0.102133 0.500000 O\n0.819874 0.720135 0.500000 O\n0.180126 0.279865 0.500000 O\n0.500000 0.000000 0.500000 O\n0.897867 0.597960 0.500000 O\n0.279865 0.180126 0.500000 O\n0.098003 0.901997 -0.000000 O\n0.102133 0.402040 0.500000 O\n0.299906 0.700094 -0.000000 O\n0.700094 0.299906 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.901997 0.098003 -0.000000 O\n0.720135 0.819874 0.500000 O\n0.597960 0.897867 0.500000 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Ba",
"Sc",
"Ti",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Sc-Ti",
"density": 6.274363440575262,
"density_atomic": 0.07650643572502186,
"volume": 326.7698954092513,
"volume_molar": 7.8714172251399575,
"formula_full": "Ba4 Sc1 Ti4 Bi1 O15",
"formula_reduced": "Ba4ScTi4BiO15",
"formula_anonymous": "ABC4D4E15",
"energy_above_hull": 2.6330199705333333,
"spacegroup": 65
},
{
"id": "jvasp-39259",
"created_at": "2022-09-04T14:38:04.421547Z",
"updated_at": "2022-09-04T14:38:04.421579Z",
"structure_string": "K1 Rb3\n1.0\n-3.448900 3.448900 6.867870\n3.448900 -3.448900 6.867870\n3.448900 3.448900 -6.867870\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.5016399689339115,
"density_atomic": 0.012240995252328012,
"volume": 326.7708154072908,
"volume_molar": 49.19649616606705,
"formula_full": "K1 Rb3",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0069075,
"spacegroup": 139
},
{
"id": "jvasp-122081",
"created_at": "2022-09-04T14:38:52.988724Z",
"updated_at": "2022-09-04T14:38:52.988748Z",
"structure_string": "Dy2 N6 O20\n1.0\n6.789827 -0.349636 2.141099\n2.225255 7.183190 2.895794\n0.108611 0.066967 6.650750\nDy N O\n2 6 20\ndirect\n0.476684 0.731162 0.592086 Dy\n0.523316 0.268838 0.407914 Dy\n0.066818 0.691383 0.778961 N\n0.933182 0.308617 0.221039 N\n0.468424 0.750627 0.145372 N\n0.531576 0.249373 0.854628 N\n0.845986 0.868168 0.315587 N\n0.154014 0.131832 0.684413 N\n0.575879 0.109789 0.789770 O\n0.470944 0.759057 -0.044175 O\n0.529056 0.240943 0.044175 O\n0.179119 0.281047 0.684764 O\n0.309671 0.046534 0.554623 O\n0.820881 0.718953 0.315236 O\n0.424121 0.890211 0.210229 O\n0.690329 0.953466 0.445377 O\n0.484678 0.406968 0.704585 O\n0.853030 0.291615 0.426553 O\n0.115931 0.313169 0.138724 O\n0.884069 0.686831 0.861275 O\n0.994509 0.930480 0.213873 O\n0.146969 0.708385 0.573447 O\n0.818517 0.316631 0.102307 O\n0.181483 0.683369 0.897693 O\n0.215836 0.451051 0.308184 O\n0.784164 0.548948 0.691816 O\n0.515322 0.593032 0.295415 O\n0.005491 0.069520 0.786127 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"N",
"O"
],
"chemical_system": "Dy-N-O",
"density": 3.70467410112057,
"density_atomic": 0.08568693633639467,
"volume": 326.770931453028,
"volume_molar": 7.028073376737307,
"formula_full": "Dy2 N6 O20",
"formula_reduced": "DyN3O10",
"formula_anonymous": "AB3C10",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-42742",
"created_at": "2022-09-04T14:35:56.447810Z",
"updated_at": "2022-09-04T14:35:56.447824Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n5.025379 0.000000 0.000000\n0.000000 6.863496 0.000000\n0.000000 0.000000 9.475464\nLi Mn Si O\n4 4 4 16\ndirect\n0.752960 0.471025 0.190719 Li\n0.252960 0.971026 0.309280 Li\n0.752960 0.028975 0.690719 Li\n0.252960 0.528975 0.809280 Li\n0.812820 0.976911 0.115801 Mn\n0.312819 0.476911 0.384199 Mn\n0.812820 0.523090 0.615801 Mn\n0.312819 0.023089 0.884199 Mn\n0.738760 0.731360 0.910246 Si\n0.238760 0.231359 0.589754 Si\n0.738760 0.768641 0.410246 Si\n0.238760 0.268641 0.089754 Si\n0.872659 0.567249 0.809830 O\n0.867687 0.958996 0.902035 O\n0.367686 0.458996 0.597964 O\n0.372659 0.067249 0.690169 O\n0.921163 0.258725 0.627575 O\n0.788106 0.798046 0.580857 O\n0.288106 0.201955 0.419143 O\n0.921163 0.241275 0.127575 O\n0.872659 0.932752 0.309830 O\n0.867687 0.541005 0.402035 O\n0.367686 0.041005 0.097965 O\n0.372659 0.432752 0.190169 O\n0.421163 0.758726 0.872425 O\n0.788106 0.701955 0.080857 O\n0.421163 0.741275 0.372425 O\n0.288106 0.298046 0.919143 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.1290200815516296,
"density_atomic": 0.0856728747507235,
"volume": 326.82456473498394,
"volume_molar": 7.029226902356449,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.554514263054187,
"spacegroup": 33
},
{
"id": "jvasp-63114",
"created_at": "2022-09-04T14:36:16.344388Z",
"updated_at": "2022-09-04T14:36:16.344422Z",
"structure_string": "Mg2 B4 H16\n1.0\n-4.123680 4.123680 4.804936\n4.123680 -4.123680 4.804936\n4.123680 4.123680 -4.804936\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.844546 0.073317 0.228771 B\n0.384227 0.155455 0.228771 B\n0.926684 0.155455 0.771229 B\n0.844546 0.615774 0.771229 B\n0.532618 0.281284 0.251334 H\n0.746055 0.715812 0.718908 H\n-0.003096 0.027146 0.281092 H\n0.972854 0.253946 0.969758 H\n0.284188 0.003096 0.030243 H\n0.746055 0.027147 0.030243 H\n-0.003096 0.715812 0.969758 H\n0.284188 0.253946 0.281092 H\n0.916415 0.563796 0.647381 H\n0.436204 0.083585 0.352619 H\n0.730966 0.083585 0.647381 H\n0.718717 0.970051 0.251334 H\n0.718716 0.467382 0.748666 H\n0.029950 0.281284 0.748666 H\n0.972854 0.003096 0.718908 H\n0.916415 0.269034 0.352619 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.5486294189467085,
"density_atomic": 0.06731396448538447,
"volume": 326.8266869763219,
"volume_molar": 8.946346877708496,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.134512201515152,
"spacegroup": 119
},
{
"id": "jvasp-13793",
"created_at": "2022-09-04T14:38:39.236960Z",
"updated_at": "2022-09-04T14:38:39.236986Z",
"structure_string": "Ta4 Zn6 O16\n1.0\n5.793257 -0.239160 2.103138\n-0.154042 5.796145 2.103138\n-0.215493 -0.212351 9.584484\nTa Zn O\n4 6 16\ndirect\n0.223970 0.939351 0.872340 Ta\n0.776032 0.060650 0.127659 Ta\n0.939351 0.223969 0.372340 Ta\n0.060650 0.776032 0.627659 Ta\n0.365902 0.318719 0.494430 Zn\n0.681282 0.634099 0.005570 Zn\n0.634099 0.681282 0.505569 Zn\n0.318719 0.365902 0.994430 Zn\n0.762331 0.237670 0.750000 Zn\n0.237671 0.762331 0.250000 Zn\n0.985359 0.715807 0.855537 O\n0.284194 0.014642 0.644463 O\n0.141427 0.938590 0.395858 O\n0.820279 0.573964 0.645463 O\n0.938591 0.141427 0.895858 O\n0.715807 0.985359 0.355537 O\n0.014642 0.284194 0.144463 O\n0.420484 0.691635 0.908044 O\n0.308367 0.579518 0.591955 O\n0.579518 0.308366 0.091955 O\n0.691635 0.420484 0.408045 O\n0.573965 0.820279 0.145463 O\n0.179722 0.426037 0.354537 O\n0.426037 0.179722 0.854536 O\n0.858574 0.061411 0.604141 O\n0.061411 0.858574 0.104142 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Ta-Zn",
"density": 6.971094235415033,
"density_atomic": 0.0795419842629132,
"volume": 326.871403082694,
"volume_molar": 7.571021537625696,
"formula_full": "Ta4 Zn6 O16",
"formula_reduced": "Ta2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.461259046153846,
"spacegroup": 15
},
{
"id": "jvasp-5488",
"created_at": "2022-09-04T14:38:35.773660Z",
"updated_at": "2022-09-04T14:38:35.773698Z",
"structure_string": "Ta4 Zn6 O16\n1.0\n5.793311 -0.239197 2.103182\n-0.154079 5.796200 2.103182\n-0.215390 -0.212250 9.584435\nTa Zn O\n4 6 16\ndirect\n0.223968 0.939338 0.872344 Ta\n0.776032 0.060662 0.127656 Ta\n0.939338 0.223967 0.372344 Ta\n0.060662 0.776032 0.627656 Ta\n0.365906 0.318716 0.494418 Zn\n0.681283 0.634093 0.005582 Zn\n0.634094 0.681283 0.505582 Zn\n0.318716 0.365906 0.994418 Zn\n0.762335 0.237665 0.750000 Zn\n0.237665 0.762335 0.250000 Zn\n0.985356 0.715807 0.855539 O\n0.284193 0.014644 0.644462 O\n0.141443 0.938601 0.395856 O\n0.820305 0.573962 0.645452 O\n0.938601 0.141443 0.895856 O\n0.715807 0.985356 0.355539 O\n0.014644 0.284193 0.144461 O\n0.420490 0.691629 0.908043 O\n0.308371 0.579511 0.591957 O\n0.579511 0.308371 0.091957 O\n0.691629 0.420490 0.408043 O\n0.573962 0.820305 0.145452 O\n0.179695 0.426037 0.354548 O\n0.426037 0.179695 0.854548 O\n0.858557 0.061399 0.604144 O\n0.061399 0.858557 0.104144 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Ta-Zn",
"density": 6.971053819249585,
"density_atomic": 0.0795415231040352,
"volume": 326.87329818909393,
"volume_molar": 7.57106543223145,
"formula_full": "Ta4 Zn6 O16",
"formula_reduced": "Ta2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.4612605846153848,
"spacegroup": 15
},
{
"id": "jvasp-29011",
"created_at": "2022-09-04T14:37:52.256047Z",
"updated_at": "2022-09-04T14:37:52.256069Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.233710 0.000000 0.000000\n-1.616855 2.800582 0.000013\n0.000000 0.000175 36.096581\nMo W Se S\n1 3 2 6\ndirect\n0.666693 0.333384 0.281744 Mo\n0.333305 0.666609 0.093942 W\n0.333316 0.666630 0.469671 W\n0.666693 0.333385 0.657586 W\n0.666647 0.333292 0.421968 Se\n0.666648 0.333294 0.517313 Se\n0.333355 0.666709 0.324893 S\n0.333355 0.666708 0.700625 S\n0.666645 0.333288 0.050857 S\n0.666647 0.333291 0.137369 S\n0.333354 0.666708 0.238668 S\n0.333354 0.666706 0.614112 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.068320944415245,
"density_atomic": 0.03670843038536641,
"volume": 326.9003842992896,
"volume_molar": 16.405334406236797,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399547719444444,
"spacegroup": 156
},
{
"id": "jvasp-23540",
"created_at": "2022-09-04T14:37:39.567325Z",
"updated_at": "2022-09-04T14:37:39.567352Z",
"structure_string": "Pd8 Se8\n1.0\n6.826852 0.000000 0.000000\n-0.000000 6.826852 0.000000\n0.000000 0.000000 7.015141\nPd Se\n8 8\ndirect\n0.530557 0.737880 0.000000 Pd\n0.262120 0.530557 0.500000 Pd\n0.737880 0.469443 0.500000 Pd\n0.469443 0.262120 0.000000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.194280 0.307495 0.770728 Se\n0.692505 0.194280 0.270728 Se\n0.307495 0.805719 0.270728 Se\n0.805719 0.692505 0.770728 Se\n0.805719 0.692505 0.229272 Se\n0.307495 0.805719 0.729272 Se\n0.692505 0.194280 0.729272 Se\n0.194280 0.307495 0.229272 Se\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 7.532247502705355,
"density_atomic": 0.04893759274584708,
"volume": 326.94701766583694,
"volume_molar": 12.30575600903673,
"formula_full": "Pd8 Se8",
"formula_reduced": "PdSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8663195333333336,
"spacegroup": 84
},
{
"id": "jvasp-32942",
"created_at": "2022-09-04T14:37:06.726202Z",
"updated_at": "2022-09-04T14:37:06.726226Z",
"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Se",
"density": 6.569424051717926,
"density_atomic": 0.03670018902542226,
"volume": 326.973792742255,
"volume_molar": 16.409018372707717,
"formula_full": "Bi4 Se4 Cl4",
"formula_reduced": "BiSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4781605780555555,
"spacegroup": 62
},
{
"id": "jvasp-99127",
"created_at": "2022-09-04T14:36:12.932251Z",
"updated_at": "2022-09-04T14:36:12.932285Z",
"structure_string": "K4 Li8 B4 O12\n1.0\n6.377296 -0.000000 0.000000\n-0.000000 6.474720 0.000000\n0.000000 0.000000 7.919134\nK Li B O\n4 8 4 12\ndirect\n0.750000 0.393553 0.997019 K\n0.750000 0.106447 0.497020 K\n0.250000 0.893553 0.502980 K\n0.250000 0.606447 0.002980 K\n0.540401 0.964938 0.859997 Li\n0.459599 0.035062 0.140003 Li\n0.040401 0.464938 0.640003 Li\n0.959600 0.964938 0.859997 Li\n0.959600 0.535062 0.359997 Li\n0.459599 0.464938 0.640003 Li\n0.040401 0.035062 0.140003 Li\n0.540401 0.535062 0.359997 Li\n0.750000 0.670077 0.656845 B\n0.250000 0.329923 0.343155 B\n0.750000 0.829923 0.156845 B\n0.250000 0.170077 0.843155 B\n0.441794 0.240575 0.785462 O\n0.441794 0.259425 0.285462 O\n0.941794 0.740575 0.714537 O\n0.750000 0.509092 0.537505 O\n0.250000 0.490908 0.462495 O\n0.058207 0.240575 0.785462 O\n0.941794 0.759425 0.214538 O\n0.558207 0.759425 0.214538 O\n0.750000 0.990908 0.037505 O\n0.058207 0.259425 0.285462 O\n0.250000 0.009092 0.962494 O\n0.558207 0.740575 0.714537 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Li",
"B",
"O"
],
"chemical_system": "B-K-Li-O",
"density": 2.270778865958796,
"density_atomic": 0.08562937466626087,
"volume": 326.9905929960315,
"volume_molar": 7.032797779349899,
"formula_full": "K4 Li8 B4 O12",
"formula_reduced": "KLi2BO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.6468872976190476,
"spacegroup": 62
},
{
"id": "jvasp-25645",
"created_at": "2022-09-04T14:38:17.682051Z",
"updated_at": "2022-09-04T14:38:17.682078Z",
"structure_string": "Sr8 Rh2 O12\n1.0\n6.889432 0.017230 -0.017171\n-0.017257 6.889431 -0.017171\n0.017144 0.017230 6.889431\nSr Rh O\n8 2 12\ndirect\n0.617832 0.882167 0.250000 Sr\n0.382167 0.117833 0.750000 Sr\n0.882166 0.250000 0.617833 Sr\n0.249999 0.617833 0.882167 Sr\n0.749999 0.750000 0.750000 Sr\n0.750000 0.382167 0.117833 Sr\n0.250000 0.250000 0.250000 Sr\n0.117832 0.750000 0.382167 Sr\n0.000000 0.000000 0.000000 Rh\n0.499999 0.500000 0.500000 Rh\n0.058548 0.926769 0.715197 O\n0.941451 0.073230 0.284803 O\n0.926769 0.715197 0.058549 O\n0.441451 0.784803 0.573231 O\n0.715196 0.058549 0.926770 O\n0.573230 0.441452 0.784803 O\n0.426769 0.558548 0.215197 O\n0.284803 0.941451 0.073231 O\n0.784802 0.573230 0.441452 O\n0.215196 0.426770 0.558549 O\n0.558548 0.215197 0.426770 O\n0.073230 0.284803 0.941451 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 5.579498834849255,
"density_atomic": 0.06727666146602719,
"volume": 327.0079031955142,
"volume_molar": 8.951307375799274,
"formula_full": "Sr8 Rh2 O12",
"formula_reduced": "Sr4RhO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.429984476363636,
"spacegroup": 167
}
]
}