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{
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"results": [
{
"id": "jvasp-57370",
"created_at": "2022-09-04T14:37:44.730102Z",
"updated_at": "2022-09-04T14:37:44.730118Z",
"structure_string": "Rb2 Nd2 W4 O16\n1.0\n6.775176 -0.009727 3.527452\n-1.726197 6.551592 3.527452\n-0.004287 -0.005555 7.690270\nRb Nd W O\n2 2 4 16\ndirect\n0.800809 0.199191 0.750000 Rb\n0.199190 0.800809 0.250000 Rb\n0.227593 0.772407 0.750000 Nd\n0.772407 0.227593 0.250000 Nd\n0.691341 0.694999 0.768093 W\n0.694999 0.691341 0.268094 W\n0.308658 0.305001 0.231906 W\n0.305000 0.308659 0.731906 W\n0.618787 0.756942 0.060400 O\n0.243057 0.381213 0.439600 O\n0.926116 0.609578 0.136601 O\n0.369223 0.581233 0.976204 O\n0.795087 0.946035 0.189930 O\n0.053964 0.204913 0.310070 O\n0.418767 0.630776 0.523795 O\n0.390421 0.073884 0.363399 O\n0.381213 0.243057 0.939600 O\n0.756943 0.618787 0.560400 O\n0.946036 0.795087 0.689930 O\n0.073884 0.390421 0.863399 O\n0.204912 0.053965 0.810070 O\n0.581233 0.369224 0.476204 O\n0.609579 0.926116 0.636601 O\n0.630776 0.418767 0.023795 O\n",
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{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sb",
"Cl"
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"density_atomic": 0.033147006320966815,
"volume": 301.68636959756446,
"volume_molar": 18.167977830899183,
"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
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{
"id": "jvasp-42641",
"created_at": "2022-09-04T14:35:50.685772Z",
"updated_at": "2022-09-04T14:35:50.685801Z",
"structure_string": "Li3 V2 Cr2 O8\n1.0\n5.828861 -0.001456 -0.035418\n-2.876616 5.100297 0.046160\n-2.940012 -1.682580 4.744516\nLi V Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.515675 0.736024 0.759920 O\n0.483982 0.722905 0.238988 O\n0.976206 0.736115 0.220335 O\n0.989070 0.746384 0.757398 O\n0.010929 0.253616 0.242602 O\n0.023794 0.263885 0.779666 O\n0.516018 0.277095 0.761012 O\n0.484325 0.263976 0.240081 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"density_atomic": 0.10654932407394364,
"volume": 140.77987007773248,
"volume_molar": 5.651974625217447,
"formula_full": "Li3 V2 Cr2 O8",
"formula_reduced": "Li3V2Cr2O8",
"formula_anonymous": "A2B2C3D8",
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},
{
"id": "jvasp-42241",
"created_at": "2022-09-04T14:35:51.209902Z",
"updated_at": "2022-09-04T14:35:51.209928Z",
"structure_string": "Li3 Mn2 Cr2 O8\n1.0\n5.737443 0.028040 -0.021579\n-0.013921 5.797703 -0.087115\n-2.844653 -2.913687 4.128112\nLi Mn Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.499999 0.499999 -0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.499999 Mn\n-0.000000 0.499999 -0.000001 Cr\n0.500000 0.499999 0.499999 Cr\n0.780081 0.260761 0.019326 O\n0.765664 0.277959 0.518465 O\n0.234352 0.252802 0.012313 O\n0.758082 0.744343 0.513741 O\n0.241917 0.255655 0.486257 O\n0.765647 0.747196 0.987685 O\n0.234335 0.722039 0.481533 O\n0.219918 0.739237 0.980672 O\n",
"nsites": 15,
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"elements": [
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],
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"density_atomic": 0.11069051901094101,
"volume": 135.51296112829095,
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"formula_full": "Li3 Mn2 Cr2 O8",
"formula_reduced": "Li3Mn2Cr2O8",
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{
"id": "jvasp-86052",
"created_at": "2022-09-04T14:36:01.107850Z",
"updated_at": "2022-09-04T14:36:01.107872Z",
"structure_string": "Y3 Ni4 B4 C3\n1.0\n3.544692 -0.000000 -0.487290\n-0.066987 3.544059 -0.487290\n-0.022881 -0.023318 12.969766\nY Ni B C\n3 4 4 3\ndirect\n0.700765 0.700766 0.401531 Y\n0.299234 0.299234 0.598469 Y\n0.000000 0.000000 0.000000 Y\n0.899491 0.399491 0.798983 Ni\n0.100508 0.600509 0.201017 Ni\n0.600508 0.100508 0.201017 Ni\n0.399491 0.899491 0.798983 Ni\n0.854970 0.854971 0.709942 B\n0.558507 0.558508 0.117015 B\n0.145029 0.145029 0.290059 B\n0.441492 0.441492 0.882985 B\n0.796579 0.796580 0.593159 C\n0.203420 0.203420 0.406841 C\n0.499999 0.500000 -0.000000 C\n",
"nsites": 14,
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"elements": [
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"C"
],
"chemical_system": "B-C-Ni-Y",
"density": 5.921808943963063,
"density_atomic": 0.08596688920970517,
"volume": 162.85339772908148,
"volume_molar": 7.00518631691995,
"formula_full": "Y3 Ni4 B4 C3",
"formula_reduced": "Y3Ni4B4C3",
"formula_anonymous": "A3B3C4D4",
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},
{
"id": "jvasp-105635",
"created_at": "2022-09-04T14:36:01.637888Z",
"updated_at": "2022-09-04T14:36:01.637911Z",
"structure_string": "K2 As1 Au1 Cl6\n1.0\n6.297871 -0.000000 3.636078\n2.099291 5.937690 3.636078\n-0.000000 -0.000000 7.272156\nK As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500001 Au\n0.755661 0.244339 0.244339 Cl\n0.244339 0.244339 0.755662 Cl\n0.244339 0.755661 0.755662 Cl\n0.244339 0.755661 0.244339 Cl\n0.755661 0.244339 0.755662 Cl\n0.755661 0.755661 0.244340 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"As",
"Au",
"Cl"
],
"chemical_system": "As-Au-Cl-K",
"density": 3.4366147976634047,
"density_atomic": 0.036772701195754,
"volume": 271.9408603345859,
"volume_molar": 16.376661393303774,
"formula_full": "K2 As1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-45852",
"created_at": "2022-09-04T14:35:59.989913Z",
"updated_at": "2022-09-04T14:35:59.989938Z",
"structure_string": "Li2 Nb2 Fe3 O10\n1.0\n5.141026 -0.082165 0.091796\n0.997517 4.968000 0.079154\n2.614293 1.817765 7.428868\nLi Nb Fe O\n2 2 3 10\ndirect\n0.635232 0.485029 0.579466 Li\n0.429709 0.415140 0.245505 Li\n0.937553 0.055059 0.311701 Nb\n0.063331 0.897958 0.677715 Nb\n0.490901 0.005533 0.986588 Fe\n0.989178 0.676473 0.098366 Fe\n0.991397 0.308192 0.896566 Fe\n0.782166 0.838955 0.555040 O\n0.773590 0.650989 0.953011 O\n0.750883 0.020416 0.139141 O\n0.215732 0.925073 0.871829 O\n0.759991 0.194287 0.767223 O\n0.225598 0.111960 0.440097 O\n0.229080 0.770025 0.207491 O\n0.766487 0.432407 0.315993 O\n0.211282 0.318223 0.077073 O\n0.234954 0.530610 0.678053 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.642850385600737,
"density_atomic": 0.09015494208935017,
"volume": 188.56426066084933,
"volume_molar": 6.67976776473509,
"formula_full": "Li2 Nb2 Fe3 O10",
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"spacegroup": 1
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{
"id": "jvasp-91486",
"created_at": "2022-09-04T14:35:59.953971Z",
"updated_at": "2022-09-04T14:35:59.953999Z",
"structure_string": "Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n",
"nsites": 40,
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],
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"density": 3.054893714101297,
"density_atomic": 0.09948007205272266,
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"formula_full": "Li12 Zr2 Be2 F24",
"formula_reduced": "Li6ZrBeF12",
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},
{
"id": "jvasp-86025",
"created_at": "2022-09-04T14:36:06.348479Z",
"updated_at": "2022-09-04T14:36:06.348489Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071000 0.015877 -1.672564\n-1.520114 6.324857 -2.366398\n-0.048005 -0.004578 6.978113\nMn V Bi O\n2 2 2 10\ndirect\n0.324533 0.361696 0.224934 Mn\n0.675469 0.638305 0.775066 Mn\n0.654902 0.182090 0.885174 V\n0.345100 0.817911 0.114827 V\n0.089230 0.758414 0.524609 Bi\n0.910772 0.241587 0.475391 Bi\n0.228614 0.649589 0.224760 O\n0.429389 0.086113 0.293951 O\n0.632609 0.757791 0.073511 O\n0.570613 0.913888 0.706050 O\n0.727925 0.500445 0.444635 O\n0.771388 0.350412 0.775240 O\n0.915694 0.217065 0.132953 O\n0.084309 0.782936 0.867047 O\n0.367393 0.242210 0.926489 O\n0.272077 0.499556 0.555365 O\n",
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],
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"density_atomic": 0.07161808071337719,
"volume": 223.40727146868986,
"volume_molar": 8.408687722449889,
"formula_full": "Mn2 V2 Bi2 O10",
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"formula_anonymous": "ABCD5",
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},
{
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"created_at": "2022-09-04T14:36:06.952519Z",
"updated_at": "2022-09-04T14:36:06.952545Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.746633 -0.011378\n5.789775 0.000000 0.000000\n0.000000 -0.343520 -10.047641\nLi Mn P O\n6 2 4 16\ndirect\n0.096461 0.750001 0.068814 Li\n0.506256 0.750001 0.228193 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.493744 0.250000 0.771807 Li\n0.903538 0.250000 0.931186 Li\n0.971053 0.250000 0.274069 Mn\n0.028946 0.750001 0.725931 Mn\n0.607042 0.750001 0.903832 P\n0.068300 0.250000 0.587643 P\n0.931700 0.750001 0.412358 P\n0.392957 0.250000 0.096168 P\n0.742760 0.961292 0.830596 O\n0.742760 0.538710 0.830596 O\n0.211652 0.461822 0.659020 O\n0.211652 0.038179 0.659020 O\n0.749883 0.250000 0.585655 O\n0.803612 0.750001 0.555873 O\n0.196388 0.250000 0.444127 O\n0.720615 0.250000 0.113892 O\n0.788347 0.961822 0.340980 O\n0.788347 0.538179 0.340980 O\n0.257240 0.461291 0.169404 O\n0.257240 0.038709 0.169404 O\n0.279385 0.750001 0.886108 O\n0.689891 0.750001 0.051059 O\n0.250116 0.750001 0.414345 O\n0.310108 0.250000 0.948941 O\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Li6 Mn2 P4 O16",
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{
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"created_at": "2022-09-04T14:35:59.933448Z",
"updated_at": "2022-09-04T14:35:59.933467Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
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"formula_full": "Mn4 H24 O12 F12",
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{
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"created_at": "2022-09-04T14:35:59.870654Z",
"updated_at": "2022-09-04T14:35:59.870681Z",
"structure_string": "Mn2 Bi2 Se4 I2\n1.0\n4.125840 -0.000000 0.000000\n-2.062919 6.708082 -0.147643\n0.000000 -0.053639 10.048345\nMn Bi Se I\n2 2 4 2\ndirect\n0.500000 0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.787098 0.574196 0.192693 Bi\n0.212902 0.425803 0.807308 Bi\n0.569474 0.138947 0.755880 Se\n0.865166 0.730331 0.941207 Se\n0.430526 0.861052 0.244120 Se\n0.134834 0.269668 0.058793 Se\n0.863324 0.726647 0.569431 I\n0.136676 0.273353 0.430570 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-I-Mn-Se",
"density": 6.553808763505566,
"density_atomic": 0.03596215807323121,
"volume": 278.0700752061818,
"volume_molar": 16.745771340354125,
"formula_full": "Mn2 Bi2 Se4 I2",
"formula_reduced": "MnBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.541042909942529,
"spacegroup": 12
}
]
}