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{
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"results": [
{
"id": "jvasp-46292",
"created_at": "2022-09-04T14:38:11.876647Z",
"updated_at": "2022-09-04T14:38:11.876677Z",
"structure_string": "Li2 Mn2 B2 O6\n1.0\n5.161043 -0.003019 -0.028621\n-2.539287 4.535444 0.015874\n-2.391102 -1.364656 5.267420\nLi Mn B O\n2 2 2 6\ndirect\n0.445351 0.376928 0.680356 Li\n0.554647 0.623070 0.319644 Li\n0.160716 0.747990 0.763994 Mn\n0.839282 0.252008 0.236006 Mn\n0.813763 0.075102 0.739883 B\n0.186235 0.924896 0.260116 B\n0.047997 0.311501 0.686783 O\n0.620447 0.127054 0.821647 O\n0.759997 0.787578 0.702415 O\n0.240001 0.212420 0.297584 O\n0.379551 0.872944 0.178353 O\n0.952001 0.688497 0.313216 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.2597261488576432,
"density_atomic": 0.09759291659725769,
"volume": 122.95974357976299,
"volume_molar": 6.170674030423658,
"formula_full": "Li2 Mn2 B2 O6",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-43064",
"created_at": "2022-09-04T14:38:11.151887Z",
"updated_at": "2022-09-04T14:38:11.151904Z",
"structure_string": "Li4 Mn3 F10\n1.0\n5.095937 -0.021782 0.012576\n1.094229 5.325395 0.024151\n2.061074 2.098613 7.008273\nLi Mn F\n4 3 10\ndirect\n0.982861 0.702300 0.347850 Li\n0.501046 0.641477 0.205526 Li\n0.498954 0.358524 0.794474 Li\n0.017138 0.297700 0.652150 Li\n0.176349 0.240508 0.144169 Mn\n0.500000 -0.000000 0.500000 Mn\n0.823651 0.759493 0.855831 Mn\n0.708998 0.150491 0.636026 F\n0.751833 0.635560 0.610069 F\n0.248167 0.364441 0.389931 F\n0.291002 0.849510 0.363974 F\n0.500000 0.500001 0.000000 F\n0.500000 0.000000 0.000000 F\n0.176108 0.946303 0.739307 F\n0.889327 0.593907 0.159100 F\n0.823891 0.053697 0.260693 F\n0.110672 0.406093 0.840900 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3436788032178577,
"density_atomic": 0.0894792545115427,
"volume": 189.9881720383245,
"volume_molar": 6.730208910293448,
"formula_full": "Li4 Mn3 F10",
"formula_reduced": "Li4Mn3F10",
"formula_anonymous": "A3B4C10",
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"spacegroup": 2
},
{
"id": "jvasp-9253",
"created_at": "2022-09-04T14:38:11.237599Z",
"updated_at": "2022-09-04T14:38:11.237608Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.492449 0.142677 -0.017402\n1.992593 8.892109 -0.190080\n0.846414 0.241359 10.191800\nCa Sn O\n4 4 8\ndirect\n0.357026 0.854660 0.934837 Ca\n0.647023 0.117133 0.085250 Ca\n0.960347 0.792907 0.271870 Ca\n0.043606 0.178890 0.748223 Ca\n0.284576 0.514464 0.847949 Sn\n0.699801 0.806760 0.613164 Sn\n0.304122 0.165051 0.406918 Sn\n0.719345 0.457340 0.172125 Sn\n0.276214 0.321947 0.251786 O\n0.447280 0.334710 0.727657 O\n0.556675 0.637084 0.292426 O\n0.727710 0.649847 0.768282 O\n0.178045 0.113243 0.951704 O\n0.106870 0.915456 0.707072 O\n0.826003 0.858552 0.068383 O\n0.897062 0.056342 0.313021 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.03743948016127,
"density_atomic": 0.050976333515557276,
"volume": 313.8711416959209,
"volume_molar": 11.813601223717132,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6778342416666664,
"spacegroup": 2
},
{
"id": "jvasp-44784",
"created_at": "2022-09-04T14:38:11.535777Z",
"updated_at": "2022-09-04T14:38:11.535803Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.982224 -1.285103 -0.693188\n-3.604079 7.058308 0.879449\n-1.770454 -2.408217 3.761191\nLi Mn F\n2 2 8\ndirect\n0.749589 0.500004 0.250294 Li\n0.249582 0.500003 0.750525 Li\n0.499581 0.000003 0.000434 Mn\n-0.000398 -0.000000 0.500394 Mn\n0.184672 0.887855 0.449520 F\n0.314435 0.112094 0.051231 F\n0.586209 0.652744 0.296478 F\n0.412993 0.347249 0.704313 F\n0.086214 0.652742 -0.203461 F\n0.912940 0.347264 0.204307 F\n0.814544 0.112149 0.551329 F\n0.684694 0.887894 -0.050419 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.23856386237928,
"density_atomic": 0.084874351843693,
"volume": 141.38546851114148,
"volume_molar": 7.095359939938681,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.356741395229885,
"spacegroup": 2
},
{
"id": "jvasp-9331",
"created_at": "2022-09-04T14:38:11.433261Z",
"updated_at": "2022-09-04T14:38:11.433292Z",
"structure_string": "Y1 Re1 W2 O8\n1.0\n-5.043371 0.046708 -0.041694\n-0.306702 -5.820685 -0.020259\n2.173297 2.235459 5.311744\nY Re W O\n1 1 2 8\ndirect\n0.525188 0.276414 0.900615 Y\n0.024427 0.776065 0.900033 Re\n0.280719 0.603352 0.418521 W\n0.768746 0.950885 0.382307 W\n0.324289 0.316474 0.181190 O\n0.259033 0.540101 0.694889 O\n0.367986 0.791452 0.203874 O\n0.173753 0.969504 0.579951 O\n0.788984 0.012264 0.104455 O\n0.728064 0.237423 0.621068 O\n0.681690 0.762886 0.596454 O\n0.877016 0.584686 0.220546 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Re",
"W",
"O"
],
"chemical_system": "O-Re-W-Y",
"density": 8.242805595717687,
"density_atomic": 0.07728091099266296,
"volume": 155.27767266019004,
"volume_molar": 7.7925333470405675,
"formula_full": "Y1 Re1 W2 O8",
"formula_reduced": "YRe(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.393930954166667,
"spacegroup": 2
},
{
"id": "jvasp-12694",
"created_at": "2022-09-04T14:38:11.546768Z",
"updated_at": "2022-09-04T14:38:11.546784Z",
"structure_string": "V2 Fe2 H4 O10\n1.0\n5.254026 -0.009432 -0.002749\n-1.604918 5.364483 -0.039290\n-0.562001 -1.496149 6.213884\nV Fe H O\n2 2 4 10\ndirect\n0.256105 0.618542 0.757081 V\n0.743895 0.381458 0.242918 V\n0.627726 0.206121 0.692112 Fe\n0.372274 0.793878 0.307888 Fe\n0.078197 0.116071 0.701500 H\n0.921804 0.883929 0.298499 H\n0.850941 0.851077 0.705181 H\n0.149059 0.148923 0.294818 H\n0.907005 0.519565 0.730478 O\n0.092996 0.480435 0.269521 O\n0.903018 0.041124 0.749227 O\n0.365831 0.871869 0.613286 O\n0.642060 0.644410 0.347581 O\n0.398766 0.740198 0.018586 O\n0.601234 0.259802 0.981413 O\n0.096982 0.958876 0.250772 O\n0.357941 0.355590 0.652418 O\n0.634170 0.128131 0.386713 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"V",
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O-V",
"density": 3.5886756701203035,
"density_atomic": 0.10302130775762211,
"volume": 174.72113674142577,
"volume_molar": 5.84552932891152,
"formula_full": "V2 Fe2 H4 O10",
"formula_reduced": "VFeH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 3.1020085777777777,
"spacegroup": 2
},
{
"id": "jvasp-9251",
"created_at": "2022-09-04T14:38:11.942075Z",
"updated_at": "2022-09-04T14:38:11.942111Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.398701 -0.073667 -0.141552\n-0.039636 7.947599 -0.635557\n-0.346786 0.529798 8.927444\nZn Sn O\n4 4 8\ndirect\n0.278870 0.618788 0.948397 Zn\n0.696886 0.353007 0.071683 Zn\n0.778501 0.872545 0.137614 Zn\n0.197262 0.099253 0.882472 Zn\n-0.084962 0.370740 0.687659 Sn\n0.639571 0.834898 0.682539 Sn\n0.336196 0.136898 0.337543 Sn\n0.060718 0.601055 0.332423 Sn\n0.421309 0.405627 0.263066 O\n0.667174 0.120508 0.765241 O\n0.308587 0.851291 0.254845 O\n0.554455 0.566172 0.757014 O\n0.152314 0.344236 0.939394 O\n0.180484 0.849527 0.849931 O\n0.823442 0.627565 0.080687 O\n0.795281 0.122271 0.170150 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.935234862553389,
"density_atomic": 0.06615432842330936,
"volume": 241.85870193736906,
"volume_molar": 9.103169669360756,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5801147749999999,
"spacegroup": 2
},
{
"id": "jvasp-45912",
"created_at": "2022-09-04T14:38:12.276761Z",
"updated_at": "2022-09-04T14:38:12.276789Z",
"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.812915 0.013075 -0.014619\n-0.090223 5.877983 0.036609\n-2.843231 -2.944163 4.166530\nLi Ti V O\n1 4 1 8\ndirect\n0.500000 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.239827 0.250000 -0.010639 O\n0.784928 0.255621 0.522419 O\n0.751089 0.752298 0.499180 O\n0.248733 0.748657 0.000784 O\n0.751269 0.251344 0.999216 O\n0.248912 0.247703 0.500820 O\n0.215073 0.744380 0.477581 O\n0.760174 0.750001 0.010639 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.389633583526391,
"density_atomic": 0.09807714217370522,
"volume": 142.74477915766028,
"volume_molar": 6.140208234589603,
"formula_full": "Li1 Ti4 V1 O8",
"formula_reduced": "LiTi4VO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.2942211095238094,
"spacegroup": 2
},
{
"id": "jvasp-31972",
"created_at": "2022-09-04T14:38:11.986190Z",
"updated_at": "2022-09-04T14:38:11.986211Z",
"structure_string": "Te2 W2 Cl18\n1.0\n6.286796 -0.023820 1.789408\n-0.530034 9.048592 2.702767\n0.021768 0.095490 11.484408\nTe W Cl\n2 2 18\ndirect\n0.129508 0.663999 0.164493 Te\n0.870493 0.336001 0.835508 Te\n0.568893 0.261825 0.291246 W\n0.431108 0.738174 0.708754 W\n0.284899 0.954518 0.720979 Cl\n0.089889 0.606500 0.828244 Cl\n0.312073 0.877165 0.162952 Cl\n0.499413 0.694818 0.909445 Cl\n0.715103 0.045482 0.279021 Cl\n0.108914 0.199068 0.937080 Cl\n0.687928 0.122835 0.837049 Cl\n0.891087 0.800932 0.062920 Cl\n0.500589 0.305182 0.090555 Cl\n0.348560 0.752629 0.525245 Cl\n0.907799 0.634618 0.369142 Cl\n0.092203 0.365382 0.630858 Cl\n0.234582 0.150394 0.391644 Cl\n0.651442 0.247371 0.474755 Cl\n0.569214 0.499136 0.703771 Cl\n0.910112 0.393500 0.171756 Cl\n0.430788 0.500863 0.296229 Cl\n0.765420 0.849606 0.608357 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Te",
"W",
"Cl"
],
"chemical_system": "Cl-Te-W",
"density": 3.2161021050251652,
"density_atomic": 0.03378909932619683,
"volume": 651.0975562744079,
"volume_molar": 17.822732419893207,
"formula_full": "Te2 W2 Cl18",
"formula_reduced": "TeWCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 1.0042531249242426,
"spacegroup": 2
},
{
"id": "jvasp-35198",
"created_at": "2022-09-04T14:38:12.027599Z",
"updated_at": "2022-09-04T14:38:12.027629Z",
"structure_string": "Na2 Li4 B2 P4 O16\n1.0\n-5.444135 0.013539 0.028289\n-0.328032 -7.405406 0.007027\n2.631465 1.724889 7.347138\nNa Li B P O\n2 4 2 4 16\ndirect\n0.252690 0.882969 0.743590 Na\n0.747309 0.117031 0.256411 Na\n0.309057 0.503607 0.857898 Li\n0.690941 0.496394 0.142103 Li\n0.858307 0.467186 0.596227 Li\n0.141691 0.532815 0.403774 Li\n0.748533 0.047579 0.766593 B\n0.251466 0.952421 0.233408 B\n0.146513 0.250587 0.054041 P\n0.853486 0.749413 0.945959 P\n0.378234 0.227797 0.547399 P\n0.621764 0.772203 0.452602 P\n0.197936 0.067802 0.393992 O\n0.802063 0.932199 0.606009 O\n0.356996 0.376984 0.054406 O\n0.643003 0.623016 0.945595 O\n0.275841 0.065118 0.106291 O\n0.724157 0.934882 0.893710 O\n0.200340 0.379561 0.597122 O\n0.032915 0.816720 0.149295 O\n0.987622 0.335137 0.176728 O\n0.012376 0.664864 0.823273 O\n0.496581 0.138312 0.717559 O\n0.503417 0.861688 0.282442 O\n0.411305 0.712943 0.515572 O\n0.967084 0.183280 0.850706 O\n0.799658 0.620439 0.402879 O\n0.588693 0.287057 0.484429 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Na",
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Na-O-P",
"density": 2.6585657711666006,
"density_atomic": 0.09432641216020975,
"volume": 296.8415670516874,
"volume_molar": 6.384363215015141,
"formula_full": "Na2 Li4 B2 P4 O16",
"formula_reduced": "NaLi2B(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.506575041666667,
"spacegroup": 2
},
{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"Mn",
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],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0624991258305485,
"density_atomic": 0.0934481784736528,
"volume": 256.8268359213301,
"volume_molar": 6.444363986931975,
"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9124868951149425,
"spacegroup": 2
},
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.35763527740829,
"density_atomic": 0.11474559052561961,
"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.994666104137931,
"spacegroup": 2
}
]
}