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=spacegroup&page=991",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=989",
"results": [
{
"id": "jvasp-10926",
"created_at": "2022-09-04T14:37:19.725513Z",
"updated_at": "2022-09-04T14:37:19.725523Z",
"structure_string": "Cr4 O10\n1.0\n3.563138 0.000000 0.000000\n0.000000 4.551040 0.000000\n0.000000 0.000000 11.086914\nCr O\n4 10\ndirect\n0.000000 0.880889 0.849112 Cr\n0.500000 0.119126 0.650898 Cr\n0.500000 0.119111 0.349112 Cr\n0.000000 0.880874 0.150898 Cr\n0.500000 0.993603 0.817655 O\n0.000000 0.006411 0.682354 O\n0.000000 0.006397 0.317655 O\n0.500000 0.993589 0.182354 O\n0.000000 0.534917 0.146871 O\n0.500000 0.465072 0.353135 O\n0.500000 0.465083 0.646871 O\n0.500000 0.010887 0.500005 O\n0.000000 -0.010887 0.000005 O\n0.000000 0.534928 0.853134 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.3987361430419254,
"density_atomic": 0.07787069690286068,
"volume": 179.7852151941598,
"volume_molar": 7.733513374758009,
"formula_full": "Cr4 O10",
"formula_reduced": "Cr2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.2606403285714283,
"spacegroup": 59
},
{
"id": "jvasp-12869",
"created_at": "2022-09-04T14:37:27.159869Z",
"updated_at": "2022-09-04T14:37:27.159889Z",
"structure_string": "Li10 Al2 O8\n1.0\n4.606885 0.000000 0.000000\n-0.000000 6.301021 0.000000\n0.000000 0.000000 6.426550\nLi Al O\n10 2 8\ndirect\n0.745976 0.488930 0.446895 Li\n0.791722 0.250000 0.750000 Li\n0.745976 0.488930 0.053105 Li\n0.745976 0.011070 0.446895 Li\n0.254023 0.988929 0.946895 Li\n0.208277 0.750000 0.250000 Li\n0.254023 0.511070 0.946895 Li\n0.254023 0.988929 0.553105 Li\n0.745976 0.011070 0.053105 Li\n0.254023 0.511070 0.553105 Li\n0.225696 0.250000 0.250000 Al\n0.774303 0.750000 0.750000 Al\n0.014662 0.250000 0.483405 O\n0.014662 0.250000 0.016595 O\n0.566908 0.987671 0.750000 O\n0.566908 0.512329 0.750000 O\n0.433091 0.487671 0.250000 O\n0.433091 0.012329 0.250000 O\n0.985337 0.750000 0.983405 O\n0.985337 0.750000 0.516596 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Al",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.237501715759575,
"density_atomic": 0.10720963231952474,
"volume": 186.5504019302345,
"volume_molar": 5.61716389629224,
"formula_full": "Li10 Al2 O8",
"formula_reduced": "Li5AlO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.52934868,
"spacegroup": 59
},
{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.415225597008053,
"density_atomic": 0.07297724623529231,
"volume": 219.2464202939777,
"volume_molar": 8.25208002585284,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.568134895833333,
"spacegroup": 59
},
{
"id": "jvasp-9650",
"created_at": "2022-09-04T14:37:28.477941Z",
"updated_at": "2022-09-04T14:37:28.477975Z",
"structure_string": "Ta4 O10\n1.0\n0.000000 3.899677 -0.000173\n3.862664 0.000000 0.000000\n0.000000 -0.000624 -13.128144\nTa O\n4 10\ndirect\n0.021081 0.250000 0.604200 Ta\n0.978921 0.749999 0.395799 Ta\n0.978919 0.749999 0.104199 Ta\n0.021083 0.250000 0.895800 Ta\n0.001979 0.749999 0.564767 O\n0.998023 0.250000 0.435233 O\n0.998022 0.250000 0.064767 O\n0.001980 0.749999 0.935233 O\n0.507312 0.250000 0.899268 O\n0.492690 0.749999 0.100731 O\n0.492691 0.749999 0.399268 O\n0.995231 0.749999 0.250000 O\n0.004770 0.250000 0.749999 O\n0.507310 0.250000 0.600732 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.4212502664990065,
"density_atomic": 0.0707960673871243,
"volume": 197.7510971541081,
"volume_molar": 8.506321017903389,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.722826557142857,
"spacegroup": 59
},
{
"id": "jvasp-11460",
"created_at": "2022-09-04T14:37:28.706931Z",
"updated_at": "2022-09-04T14:37:28.706954Z",
"structure_string": "Rb6 Ge8 Au2\n1.0\n6.200224 0.000000 0.000000\n0.000000 6.890748 0.000000\n0.000000 0.000000 12.379990\nRb Ge Au\n6 8 2\ndirect\n0.426544 0.500000 0.000000 Rb\n0.573455 0.000000 0.500000 Rb\n0.167847 0.000000 0.265089 Rb\n0.167847 0.000000 0.734911 Rb\n0.832153 0.500000 0.234911 Rb\n0.832153 0.500000 0.765089 Rb\n0.327024 0.500000 0.613635 Ge\n0.327024 0.500000 0.386365 Ge\n0.057956 0.298800 0.500000 Ge\n0.057956 0.701200 0.500000 Ge\n0.942044 0.798800 0.000000 Ge\n0.942044 0.201200 0.000000 Ge\n0.672976 0.000000 0.886365 Ge\n0.672976 0.000000 0.113635 Ge\n0.689358 0.500000 0.500000 Au\n0.310641 0.000000 0.000000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Rb",
"density": 4.6710778574472345,
"density_atomic": 0.030250039160003298,
"volume": 528.9249351172825,
"volume_molar": 19.90787756718839,
"formula_full": "Rb6 Ge8 Au2",
"formula_reduced": "Rb3Ge4Au",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0813989212499999,
"spacegroup": 59
},
{
"id": "jvasp-30551",
"created_at": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 2.679988027864324,
"density_atomic": 0.04274215072323634,
"volume": 327.5455203612167,
"volume_molar": 14.089465920876378,
"formula_full": "Cr4 S10",
"formula_reduced": "Cr2S5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.062934971428571,
"spacegroup": 59
},
{
"id": "jvasp-11286",
"created_at": "2022-09-04T14:37:32.320093Z",
"updated_at": "2022-09-04T14:37:32.320109Z",
"structure_string": "Ca2 Ti4 S10\n1.0\n0.000000 6.106423 -0.000281\n4.127800 0.000000 0.000000\n0.000000 -0.000644 -14.650825\nCa Ti S\n2 4 10\ndirect\n0.101506 0.750000 0.750000 Ca\n0.898494 0.250000 0.250000 Ca\n0.576943 0.250000 0.902353 Ti\n0.423057 0.750000 0.097647 Ti\n0.423060 0.750000 0.402352 Ti\n0.576940 0.250000 0.597647 Ti\n0.562207 0.750000 0.250001 S\n0.437793 0.250000 0.749999 S\n0.387024 0.750000 0.927841 S\n0.612976 0.250000 0.072158 S\n0.387022 0.750000 0.572158 S\n0.612978 0.250000 0.427842 S\n0.924620 0.250000 0.629580 S\n0.075380 0.750000 0.370420 S\n0.075380 0.750000 0.129580 S\n0.924620 0.250000 0.870420 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 2.663202268016689,
"density_atomic": 0.043326376470053246,
"volume": 369.29005616380215,
"volume_molar": 13.899479371792015,
"formula_full": "Ca2 Ti4 S10",
"formula_reduced": "CaTi2S5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2410258858333334,
"spacegroup": 59
},
{
"id": "jvasp-4258",
"created_at": "2022-09-04T14:37:33.815822Z",
"updated_at": "2022-09-04T14:37:33.815846Z",
"structure_string": "Mo4 Br12\n1.0\n6.074176 0.000000 0.000000\n0.000000 6.592487 0.000000\n0.000000 0.000000 11.406921\nMo Br\n4 12\ndirect\n0.728580 0.256358 0.500000 Mo\n0.228580 0.743642 0.000000 Mo\n0.271421 0.256358 0.500000 Mo\n0.771421 0.743642 0.000000 Mo\n0.500000 0.092765 0.663940 Br\n0.000000 0.907236 0.836060 Br\n0.500000 0.092765 0.336060 Br\n0.000000 0.907236 0.163940 Br\n0.000000 0.416367 0.000000 Br\n0.500000 0.583634 0.500000 Br\n0.500000 0.053507 0.000000 Br\n0.000000 0.946494 0.500000 Br\n0.000000 0.411152 0.345047 Br\n0.500000 0.588849 0.154953 Br\n0.000000 0.411152 0.654953 Br\n0.500000 0.588849 0.845047 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 4.880825047670257,
"density_atomic": 0.03502796404867136,
"volume": 456.77790401314786,
"volume_molar": 17.192380212655905,
"formula_full": "Mo4 Br12",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.28975455375,
"spacegroup": 59
},
{
"id": "jvasp-30259",
"created_at": "2022-09-04T14:37:34.381755Z",
"updated_at": "2022-09-04T14:37:34.381780Z",
"structure_string": "Mn2 O2 F2\n1.0\n3.799577 -0.000001 -0.000003\n-0.000003 5.911908 -0.000048\n-0.000003 -0.000021 2.762065\nMn O F\n2 2 2\ndirect\n0.250001 0.143174 0.750003 Mn\n0.750000 0.856824 0.249999 Mn\n0.250003 0.907984 0.249994 O\n0.750001 0.092017 0.750008 O\n0.250001 0.365847 0.250005 F\n0.750003 0.634155 0.749997 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.814100099205208,
"density_atomic": 0.09670622678409052,
"volume": 62.043574643810636,
"volume_molar": 6.227252329309909,
"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.35494700795977,
"spacegroup": 59
},
{
"id": "jvasp-17483",
"created_at": "2022-09-04T14:37:34.769258Z",
"updated_at": "2022-09-04T14:37:34.769276Z",
"structure_string": "Cu6 Ge2\n1.0\n4.245657 0.000000 0.000000\n0.000000 4.615224 0.000000\n0.000000 0.000000 5.327187\nCu Ge\n6 2\ndirect\n0.000000 0.168527 0.500000 Cu\n0.500000 0.831472 0.000000 Cu\n0.500000 0.337204 0.248491 Cu\n0.500000 0.337204 0.751510 Cu\n0.000000 0.662795 0.251509 Cu\n0.000000 0.662795 0.748491 Cu\n0.500000 0.828190 0.500000 Ge\n0.000000 0.171809 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.376412024944894,
"density_atomic": 0.07663979868489904,
"volume": 104.3844078047703,
"volume_molar": 7.857719961869616,
"formula_full": "Cu6 Ge2",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.003035,
"spacegroup": 59
},
{
"id": "jvasp-33922",
"created_at": "2022-09-04T14:37:39.889234Z",
"updated_at": "2022-09-04T14:37:39.889243Z",
"structure_string": "Te4 Mo4 S4\n1.0\n1.514811 -3.020771 -0.000001\n-0.000016 -0.000001 13.804367\n-5.197170 -2.606203 0.000006\nTe Mo S\n4 4 4\ndirect\n0.999991 0.615619 0.374317 Te\n0.500009 0.115629 0.125680 Te\n0.500009 0.384371 0.125681 Te\n0.999990 0.884382 0.374318 Te\n0.000008 0.250000 0.311397 Mo\n0.499992 0.750000 0.188617 Mo\n0.499997 0.250000 0.779289 Mo\n0.000000 0.750000 0.720694 Mo\n0.500000 0.638570 0.869263 S\n-0.000004 0.138565 0.630742 S\n-0.000004 0.361436 0.630742 S\n0.500000 0.861431 0.869263 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.2597590247374235,
"density_atomic": 0.04424461569649625,
"volume": 271.21944243602695,
"volume_molar": 13.61101382665393,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4099978888888884,
"spacegroup": 59
},
{
"id": "jvasp-16580",
"created_at": "2022-09-04T14:37:49.428716Z",
"updated_at": "2022-09-04T14:37:49.428737Z",
"structure_string": "Ni6 Mo2\n1.0\n4.238620 0.000000 0.000000\n0.000000 4.464346 0.000000\n0.000000 0.000000 5.031632\nNi Mo\n6 2\ndirect\n0.500000 0.160446 0.751258 Ni\n0.000000 0.839555 0.748741 Ni\n0.500000 0.665028 0.000000 Ni\n0.000000 0.334973 0.500000 Ni\n0.000000 0.839555 0.251259 Ni\n0.500000 0.160446 0.248741 Ni\n0.500000 0.655602 0.500000 Mo\n0.000000 0.344399 0.000000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Mo"
],
"chemical_system": "Mo-Ni",
"density": 9.48831400812864,
"density_atomic": 0.08402311674173729,
"volume": 95.21189299118339,
"volume_molar": 7.167242770237048,
"formula_full": "Ni6 Mo2",
"formula_reduced": "Ni3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 2.242210775,
"spacegroup": 59
}
]
}