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=236",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=234",
"results": [
{
"id": "jvasp-50291",
"created_at": "2022-09-04T14:37:05.322863Z",
"updated_at": "2022-09-04T14:37:05.322879Z",
"structure_string": "Li5 Cu1 P2 O8\n1.0\n0.000000 4.937040 -0.005701\n6.175420 0.000000 0.000000\n0.000000 -0.026160 -5.231921\nLi Cu P O\n5 1 2 8\ndirect\n0.490869 0.000000 0.161853 Li\n0.994449 0.750116 0.326009 Li\n0.492099 0.746883 0.674630 Li\n0.492099 0.253116 0.674630 Li\n0.994449 0.249883 0.326009 Li\n0.995222 0.500000 0.807151 Cu\n-0.001761 0.000000 0.827726 P\n0.499312 0.500000 0.182993 P\n0.895481 0.000000 0.107712 O\n0.312521 0.000000 0.821270 O\n0.886357 0.798547 0.681121 O\n0.388899 0.708219 0.315376 O\n0.812997 0.500000 0.201664 O\n0.414343 0.500000 0.895357 O\n0.388899 0.291781 0.315376 O\n0.886357 0.201453 0.681121 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.0001072835169924,
"density_atomic": 0.1003051314895901,
"volume": 159.51327476860462,
"volume_molar": 6.003821210906834,
"formula_full": "Li5 Cu1 P2 O8",
"formula_reduced": "Li5Cu(PO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.060111215625,
"spacegroup": 6
},
{
"id": "jvasp-102804",
"created_at": "2022-09-04T14:37:06.415678Z",
"updated_at": "2022-09-04T14:37:06.415733Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n3.861391 -0.000000 0.000000\n0.000000 6.469926 0.038431\n0.000000 0.001396 6.888171\nAl Zn Se\n2 1 4\ndirect\n0.500000 0.521040 0.171733 Al\n0.500000 0.972446 0.851125 Al\n-0.000000 0.512236 0.651715 Zn\n-0.000000 0.893232 0.646031 Se\n0.500000 0.882242 0.178129 Se\n0.500000 0.364611 0.841588 Se\n-0.000000 0.354197 0.326328 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Zn",
"Se"
],
"chemical_system": "Al-Se-Zn",
"density": 4.199557630075123,
"density_atomic": 0.04067724669923048,
"volume": 172.08637673435317,
"volume_molar": 14.804691193895199,
"formula_full": "Al2 Zn1 Se4",
"formula_reduced": "Al2ZnSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.077019923809524,
"spacegroup": 6
},
{
"id": "jvasp-10749",
"created_at": "2022-09-04T14:37:07.064475Z",
"updated_at": "2022-09-04T14:37:07.064487Z",
"structure_string": "Ca3 Mn2 Sb2 O12\n1.0\n0.000000 5.351631 0.004136\n7.705238 0.000000 0.000000\n0.000000 -0.031712 -5.408690\nCa Mn Sb O\n3 2 2 12\ndirect\n0.557748 0.000000 0.489291 Ca\n0.450046 0.500000 0.508711 Ca\n0.958997 0.500000 0.992487 Ca\n0.999557 0.757533 0.498262 Mn\n0.999557 0.242467 0.498262 Mn\n0.491154 0.757525 0.000898 Sb\n0.491154 0.242476 0.000898 Sb\n0.304154 0.780027 0.317094 O\n0.990292 0.000000 0.578786 O\n0.709713 0.290426 0.705411 O\n0.518901 0.500000 0.080970 O\n0.794960 0.206089 0.214041 O\n0.304154 0.219973 0.317094 O\n0.794960 0.793911 0.214041 O\n0.462878 0.000000 0.902971 O\n0.208425 0.307467 0.781476 O\n0.709713 0.709575 0.705411 O\n0.208425 0.692533 0.781476 O\n0.006278 0.500000 0.418865 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ca-Mn-O-Sb",
"density": 4.95581407486122,
"density_atomic": 0.08519051816875241,
"volume": 223.0295155895546,
"volume_molar": 7.069027034289011,
"formula_full": "Ca3 Mn2 Sb2 O12",
"formula_reduced": "Ca3Mn2(SbO6)2",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 2.4942636811978214,
"spacegroup": 6
},
{
"id": "jvasp-50790",
"created_at": "2022-09-04T14:37:07.603389Z",
"updated_at": "2022-09-04T14:37:07.603413Z",
"structure_string": "Ca3 P2 O8\n1.0\n5.184151 0.010919 0.013358\n-2.227082 4.722647 0.012835\n-0.018602 -0.028428 7.194582\nCa P O\n3 2 8\ndirect\n0.347882 0.735504 0.249970 Ca\n0.006323 0.023201 0.978304 Ca\n0.006303 0.023165 0.521674 Ca\n0.351914 0.646116 0.749979 P\n0.643740 0.346403 0.250038 P\n0.681729 0.796636 0.749995 O\n0.253642 0.320801 0.749981 O\n0.235751 0.724326 0.930912 O\n0.235784 0.724331 0.569035 O\n0.705281 0.210779 0.421677 O\n0.705301 0.210675 0.078446 O\n0.803022 0.679900 0.249997 O\n0.311828 0.270071 0.249997 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"P",
"O"
],
"chemical_system": "Ca-O-P",
"density": 2.9211162129444417,
"density_atomic": 0.07372824313462473,
"volume": 176.32320325689216,
"volume_molar": 8.168024225131502,
"formula_full": "Ca3 P2 O8",
"formula_reduced": "Ca3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.031196173846154,
"spacegroup": 6
},
{
"id": "jvasp-50994",
"created_at": "2022-09-04T14:37:08.193101Z",
"updated_at": "2022-09-04T14:37:08.193120Z",
"structure_string": "V2 H1 O4\n1.0\n0.000000 4.488587 0.013535\n2.895365 0.000000 0.000000\n0.000000 -0.240420 -4.848403\nV H O\n2 1 4\ndirect\n0.504691 0.499999 0.478144 V\n0.975681 0.000000 0.001710 V\n0.428062 0.499999 0.964267 H\n0.244665 0.499999 0.836490 O\n0.753435 0.499999 0.164332 O\n0.725805 0.000000 0.671584 O\n0.265419 0.000000 0.316257 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 4.398745926941422,
"density_atomic": 0.11110952857560248,
"volume": 63.00089731041362,
"volume_molar": 5.420003880137376,
"formula_full": "V2 H1 O4",
"formula_reduced": "V2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0963146285714283,
"spacegroup": 6
},
{
"id": "jvasp-42709",
"created_at": "2022-09-04T14:37:13.341327Z",
"updated_at": "2022-09-04T14:37:13.341378Z",
"structure_string": "V4 O4 F12\n1.0\n5.612674 -0.014090 -0.003143\n0.330178 5.618024 -0.034398\n0.005012 0.049856 8.071938\nV O F\n4 4 12\ndirect\n0.077611 0.045667 -0.000017 V\n0.567739 0.488151 0.000019 V\n0.457031 0.939622 0.499988 V\n0.958213 0.439833 0.500014 V\n0.278554 0.242604 -0.000061 O\n0.758026 0.248462 0.500073 O\n0.252171 0.753236 0.499916 O\n0.781311 0.278150 0.000112 O\n0.482558 0.502045 0.789727 F\n0.991613 0.513868 0.710906 F\n-0.008047 0.012963 0.791169 F\n0.731111 0.734327 0.500131 F\n0.236750 0.239595 0.499875 F\n0.495068 0.009947 0.288904 F\n-0.008745 0.513983 0.289102 F\n0.482211 0.502091 0.210249 F\n0.494670 0.010002 0.711089 F\n0.247978 0.765996 -0.000115 F\n0.992292 0.012863 0.208863 F\n0.731881 0.746599 0.000058 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.233666029116292,
"density_atomic": 0.07856302762668867,
"volume": 254.57267373954662,
"volume_molar": 7.665362374545526,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8048417094999998,
"spacegroup": 6
},
{
"id": "jvasp-53114",
"created_at": "2022-09-04T14:37:27.393874Z",
"updated_at": "2022-09-04T14:37:27.393896Z",
"structure_string": "Na1 V2 S4\n1.0\n0.000000 5.847757 -0.160393\n3.393011 0.000000 0.000000\n0.000000 -1.441643 -6.855116\nNa V S\n1 2 4\ndirect\n0.655305 0.500000 0.498963 Na\n0.026544 0.000000 0.993671 V\n0.470326 0.500000 0.989812 V\n0.627446 0.000000 0.805887 S\n0.379572 0.000000 0.209282 S\n0.118514 0.500000 0.774446 S\n0.872295 0.500000 0.177940 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"V",
"S"
],
"chemical_system": "Na-S-V",
"density": 3.0726294009048867,
"density_atomic": 0.05116945060180377,
"volume": 136.80037439669604,
"volume_molar": 11.769015866251479,
"formula_full": "Na1 V2 S4",
"formula_reduced": "Na(VS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.386721057142857,
"spacegroup": 6
},
{
"id": "jvasp-42419",
"created_at": "2022-09-04T14:37:29.810955Z",
"updated_at": "2022-09-04T14:37:29.810978Z",
"structure_string": "Fe4 O4 F4\n1.0\n0.000000 4.637206 0.023504\n2.879719 0.000000 0.000000\n0.000000 -0.588207 -9.207400\nFe O F\n4 4 4\ndirect\n0.942796 0.000000 0.007140 Fe\n0.015568 0.000000 0.492524 Fe\n0.473947 0.500000 0.744440 Fe\n0.554686 0.500000 0.256651 Fe\n0.787227 0.500000 0.110662 O\n0.669426 0.000000 0.844492 O\n0.725480 0.000000 0.350095 O\n0.301174 0.000000 0.640455 O\n0.827760 0.500000 0.586440 F\n0.312989 0.000000 0.160302 F\n0.173131 0.500000 0.909389 F\n0.215818 0.500000 0.397410 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.909042048403978,
"density_atomic": 0.09762889688920502,
"volume": 122.91442782169608,
"volume_molar": 6.16839988147595,
"formula_full": "Fe4 O4 F4",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1230764275,
"spacegroup": 6
},
{
"id": "jvasp-43055",
"created_at": "2022-09-04T14:37:38.634693Z",
"updated_at": "2022-09-04T14:37:38.634725Z",
"structure_string": "Ni3 Sn1 P4 O16\n1.0\n0.000000 4.740446 0.008803\n5.729145 0.000000 0.000000\n0.000000 -0.052339 -9.688488\nNi Sn P O\n3 1 4 16\ndirect\n0.928616 0.500000 0.730208 Ni\n0.575242 0.500000 0.223280 Ni\n0.422695 0.000000 0.769916 Ni\n0.068967 0.000000 0.276680 Sn\n0.869743 0.000000 0.596258 P\n0.627318 0.000000 0.076846 P\n0.379206 0.500000 0.908377 P\n0.123159 0.500000 0.420672 P\n0.283235 0.709261 0.345672 O\n0.190841 0.000000 0.609621 O\n0.311049 0.000000 0.106233 O\n0.221041 0.289188 0.835062 O\n0.221041 0.710811 0.835062 O\n0.324772 0.500000 0.063631 O\n0.678557 0.000000 0.923226 O\n0.810878 0.500000 0.387688 O\n0.781392 0.208527 0.155259 O\n0.699987 0.500000 0.888811 O\n0.283235 0.290739 0.345672 O\n0.717710 0.787553 0.666186 O\n0.717710 0.212447 0.666186 O\n0.801798 0.000000 0.439150 O\n0.781392 0.791472 0.155259 O\n0.180426 0.500000 0.575052 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Ni-O-P-Sn",
"density": 4.257782431471133,
"density_atomic": 0.09121170522509277,
"volume": 263.1241236064238,
"volume_molar": 6.602377123789679,
"formula_full": "Ni3 Sn1 P4 O16",
"formula_reduced": "Ni3Sn(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.798038620833334,
"spacegroup": 6
},
{
"id": "jvasp-106351",
"created_at": "2022-09-04T14:37:48.852200Z",
"updated_at": "2022-09-04T14:37:48.852225Z",
"structure_string": "Mn1 Ga2 S4\n1.0\n3.696195 0.000000 0.000000\n0.000000 6.183348 0.005388\n0.000000 -0.032967 6.701827\nMn Ga S\n1 2 4\ndirect\n0.000000 0.370494 0.352736 Mn\n0.499999 0.900488 0.144009 Ga\n0.499999 0.352057 0.831641 Ga\n0.000000 0.984737 0.342430 S\n0.000000 0.514586 0.681827 S\n0.499999 0.510711 0.156760 S\n0.499999 0.991926 0.824601 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"S"
],
"chemical_system": "Ga-Mn-S",
"density": 3.4978333348198793,
"density_atomic": 0.04570086298418885,
"volume": 153.16997410796802,
"volume_molar": 13.17730206119627,
"formula_full": "Mn1 Ga2 S4",
"formula_reduced": "Mn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6902888416256154,
"spacegroup": 6
},
{
"id": "jvasp-5740",
"created_at": "2022-09-04T14:37:52.058716Z",
"updated_at": "2022-09-04T14:37:52.058747Z",
"structure_string": "Na3 Li3 N2\n1.0\n0.000000 3.814957 -0.005262\n4.234847 0.000000 0.000000\n0.000000 -0.054895 -7.236994\nNa Li N\n3 3 2\ndirect\n0.334645 0.500000 0.477954 Na\n0.653736 0.000000 0.636130 Na\n0.592018 0.500000 0.142431 Na\n0.988082 0.000000 0.276280 Li\n0.452060 0.000000 0.974645 Li\n0.019776 0.500000 0.830733 Li\n0.484348 0.000000 0.285346 N\n0.517343 0.500000 0.815478 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.6731131114650735,
"density_atomic": 0.06842264506783134,
"volume": 116.92035571073195,
"volume_molar": 8.801385497491221,
"formula_full": "Na3 Li3 N2",
"formula_reduced": "Na3Li3N2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.4748066875,
"spacegroup": 6
},
{
"id": "jvasp-44409",
"created_at": "2022-09-04T14:37:52.746394Z",
"updated_at": "2022-09-04T14:37:52.746413Z",
"structure_string": "Ti1 Mn3 P4 O16\n1.0\n0.000000 4.861464 -0.005624\n5.923740 0.000000 0.000000\n0.000000 -0.032490 -9.809450\nTi Mn P O\n1 3 4 16\ndirect\n0.943669 0.500000 0.275787 Ti\n0.077032 0.000000 0.718210 Mn\n0.431475 0.000000 0.220246 Mn\n0.580793 0.500000 0.780178 Mn\n0.107876 0.500000 0.596963 P\n0.370912 0.500000 0.091072 P\n0.608533 0.000000 0.903474 P\n0.910979 0.000000 0.409429 P\n0.771926 0.791906 0.334462 O\n0.796258 0.500000 0.618726 O\n0.675019 0.500000 0.132977 O\n0.754854 0.204856 0.833763 O\n0.754854 0.795144 0.833763 O\n0.655378 0.000000 0.057788 O\n0.338553 0.500000 0.937927 O\n0.220679 0.000000 0.387852 O\n0.215467 0.300939 0.164567 O\n0.295773 0.000000 0.877301 O\n0.771926 0.208094 0.334462 O\n0.255238 0.705193 0.663095 O\n0.255238 0.294807 0.663095 O\n0.151990 0.500000 0.439193 O\n0.215467 0.699061 0.164567 O\n0.840098 0.000000 0.561098 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.483187629275651,
"density_atomic": 0.08495752601386614,
"volume": 282.49410177131216,
"volume_molar": 7.088413519735863,
"formula_full": "Ti1 Mn3 P4 O16",
"formula_reduced": "TiMn3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.468094919061303,
"spacegroup": 6
}
]
}