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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=131",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=129",
"results": [
{
"id": "jvasp-10248",
"created_at": "2022-09-04T14:37:27.750859Z",
"updated_at": "2022-09-04T14:37:27.750880Z",
"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.634077 -0.007477 0.020180\n0.485421 5.725029 -0.002865\n2.421459 0.807526 8.448091\nRb Li Ge O\n4 4 2 8\ndirect\n0.470895 0.848848 0.729184 Rb\n0.529105 0.151152 0.270815 Rb\n0.784684 0.722627 0.022560 Rb\n0.215316 0.277374 0.977440 Rb\n0.072694 0.817505 0.560805 Li\n0.927307 0.182495 0.439194 Li\n0.305420 0.410771 0.579565 Li\n0.694580 0.589229 0.420434 Li\n0.855491 0.315065 0.725042 Ge\n0.144509 0.684936 0.274957 Ge\n0.015256 0.574295 0.722546 O\n0.984745 0.425705 0.277453 O\n0.897526 0.867056 0.393934 O\n0.102474 0.132945 0.606065 O\n0.270884 0.797961 0.077144 O\n0.729117 0.202039 0.922855 O\n0.369717 0.640912 0.388745 O\n0.630284 0.359088 0.611254 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Rb",
"density": 3.9210662334841695,
"density_atomic": 0.0661115188553068,
"volume": 272.26722833875914,
"volume_molar": 9.109064296617047,
"formula_full": "Rb4 Li4 Ge2 O8",
"formula_reduced": "Rb2Li2GeO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.086556661111111,
"spacegroup": 2
},
{
"id": "jvasp-41803",
"created_at": "2022-09-04T14:37:28.148335Z",
"updated_at": "2022-09-04T14:37:28.148359Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.895663 -0.952938 -0.378070\n-3.343123 5.694543 0.551735\n-2.589657 -0.453898 8.993152\nBa Sb F\n1 2 12\ndirect\n0.276475 0.087315 0.865202 Ba\n0.088398 0.489968 0.584460 Sb\n0.464670 0.684702 0.145939 Sb\n0.045031 0.546155 0.957627 F\n0.507973 0.628378 0.772800 F\n0.792890 0.215355 0.717199 F\n0.022271 0.711298 0.648975 F\n0.184673 0.258175 0.569306 F\n0.436554 0.774513 0.484548 F\n0.662640 0.327348 0.414663 F\n0.890484 0.847426 0.315709 F\n0.116619 0.400162 0.245881 F\n0.368303 0.916450 0.161069 F\n0.760060 0.959302 0.013166 F\n0.530947 0.463438 0.081462 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.626828581653299,
"density_atomic": 0.0686485026882839,
"volume": 218.50440159068492,
"volume_molar": 8.77242842039115,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 2.666666666678585e-06,
"spacegroup": 2
},
{
"id": "jvasp-41753",
"created_at": "2022-09-04T14:37:28.421840Z",
"updated_at": "2022-09-04T14:37:28.421865Z",
"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.264687 -0.013952 0.017203\n3.596363 9.052565 -0.101900\n-0.074617 -2.336050 -11.700006\nRb Ge P Se\n6 2 2 14\ndirect\n0.933089 0.474256 0.209169 Rb\n0.066913 0.525745 0.790831 Rb\n0.315143 0.125609 0.603558 Rb\n0.684858 0.874392 0.396443 Rb\n0.386551 0.196982 0.986229 Rb\n0.613451 0.803019 0.013771 Rb\n0.601961 0.560705 0.630664 Ge\n0.398041 0.439296 0.369336 Ge\n0.768857 0.072217 0.780482 P\n0.231145 0.927784 0.219518 P\n0.456490 0.922855 0.776461 Se\n0.543511 0.077146 0.223540 Se\n0.466989 0.522407 0.198628 Se\n0.533013 0.477594 0.801373 Se\n0.344465 0.609298 0.533076 Se\n0.655537 0.390703 0.466925 Se\n0.107570 0.772879 0.054350 Se\n0.925572 0.763772 0.632544 Se\n0.037200 0.064528 0.191874 Se\n0.962802 0.935473 0.808126 Se\n0.844664 0.172547 0.627759 Se\n0.892432 0.227122 0.945651 Se\n0.074429 0.236229 0.367456 Se\n0.155338 0.827454 0.372242 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"P",
"Se"
],
"chemical_system": "Ge-P-Rb-Se",
"density": 3.9344217724278883,
"density_atomic": 0.03115066555945592,
"volume": 770.4490279410642,
"volume_molar": 19.332302061109424,
"formula_full": "Rb6 Ge2 P2 Se14",
"formula_reduced": "Rb3GePSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.030339584722222,
"spacegroup": 2
},
{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5479102037001558,
"density_atomic": 0.0936703400215209,
"volume": 128.10885491867523,
"volume_molar": 6.429079641022339,
"formula_full": "Li2 Mn2 Al2 O6",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.1632100902298848,
"spacegroup": 2
},
{
"id": "jvasp-9291",
"created_at": "2022-09-04T14:37:28.507186Z",
"updated_at": "2022-09-04T14:37:28.507210Z",
"structure_string": "Ca4 Cu4 O8\n1.0\n3.862080 0.055655 -0.070601\n-0.615029 6.931492 0.452063\n-1.602343 -1.648001 7.364589\nCa Cu O\n4 4 8\ndirect\n0.894351 0.134798 0.306632 Ca\n0.085414 0.842563 0.701515 Ca\n0.766813 0.714928 0.024973 Ca\n0.212935 0.262446 -0.016829 Ca\n0.602852 0.151957 0.650821 Cu\n0.287224 0.452212 0.639204 Cu\n0.692581 0.525150 0.368951 Cu\n0.376980 0.825414 0.357325 Cu\n0.875197 0.800356 0.351883 O\n0.792960 0.397917 0.147479 O\n0.186798 0.579443 0.860666 O\n0.104616 0.177008 0.656264 O\n0.683679 0.012682 0.851092 O\n0.486693 0.299306 0.452258 O\n0.296106 0.964683 0.157056 O\n0.493088 0.678059 0.555889 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.518072901030774,
"density_atomic": 0.08024748341238064,
"volume": 199.38319956749584,
"volume_molar": 7.504460581091445,
"formula_full": "Ca4 Cu4 O8",
"formula_reduced": "CaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5102769675,
"spacegroup": 2
},
{
"id": "jvasp-9546",
"created_at": "2022-09-04T14:37:28.639999Z",
"updated_at": "2022-09-04T14:37:28.640033Z",
"structure_string": "Mg2 V2 F8\n1.0\n5.061682 -0.015570 -0.001811\n-0.110661 5.471297 0.010203\n-1.794664 -1.946089 5.073571\nMg V F\n2 2 8\ndirect\n0.742302 0.675957 0.483088 Mg\n0.250396 0.323000 0.511920 Mg\n0.496348 0.999484 0.997503 V\n0.996350 0.499488 0.997505 V\n0.150021 0.668072 0.745769 F\n0.288887 0.019015 0.251181 F\n0.842678 0.330894 0.249242 F\n0.338164 0.547629 0.315509 F\n0.703818 0.979944 0.743829 F\n0.217819 0.215338 0.801068 F\n0.654531 0.451335 0.679497 F\n0.774880 0.783634 0.193946 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"V",
"F"
],
"chemical_system": "F-Mg-V",
"density": 3.5728839830944934,
"density_atomic": 0.08535993477299277,
"volume": 140.5811758398474,
"volume_molar": 7.054996909282269,
"formula_full": "Mg2 V2 F8",
"formula_reduced": "MgVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0462235138888889,
"spacegroup": 2
},
{
"id": "jvasp-44628",
"created_at": "2022-09-04T14:37:28.697959Z",
"updated_at": "2022-09-04T14:37:28.697986Z",
"structure_string": "Li5 Nb2 Fe3 O10\n1.0\n5.224726 0.026389 0.013028\n0.897134 5.142089 0.015049\n2.471679 2.181556 7.093406\nLi Nb Fe O\n5 2 3 10\ndirect\n0.502674 0.772428 0.405564 Li\n0.525131 0.575418 0.788076 Li\n-0.000001 0.500000 0.500000 Li\n0.474869 0.424583 0.211925 Li\n0.497325 0.227573 0.594437 Li\n0.010002 0.888804 0.711710 Nb\n0.989997 0.111197 0.288291 Nb\n0.997265 0.300490 0.918803 Fe\n0.002734 0.699511 0.081198 Fe\n0.500000 0.000000 0.000000 Fe\n0.263997 0.354177 0.057376 O\n0.259422 0.965990 0.842359 O\n0.736003 0.645824 0.942625 O\n0.776778 0.860319 0.545201 O\n0.236811 0.765827 0.248906 O\n0.245914 0.565789 0.657403 O\n0.754086 0.434212 0.342598 O\n0.763189 0.234174 0.751095 O\n0.223221 0.139682 0.454800 O\n0.740578 0.034011 0.157642 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.787411477343779,
"density_atomic": 0.10521170055842306,
"volume": 190.0929259183886,
"volume_molar": 5.723831786803942,
"formula_full": "Li5 Nb2 Fe3 O10",
"formula_reduced": "Li5Nb2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.985218515,
"spacegroup": 2
},
{
"id": "jvasp-42369",
"created_at": "2022-09-04T14:37:28.723140Z",
"updated_at": "2022-09-04T14:37:28.723168Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 O\n0.664195 0.359349 0.358464 O\n0.887604 0.704721 0.919106 O\n0.112397 0.295279 0.080894 O\n0.566700 0.838822 0.070626 O\n0.858998 0.667209 0.174675 O\n0.377800 0.717932 0.393055 O\n0.088950 0.863106 0.559064 O\n0.911051 0.136894 0.440936 O\n0.335806 0.640651 0.641536 O\n0.433301 0.161177 0.929374 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.271948953352288,
"density_atomic": 0.09245422218186598,
"volume": 237.95560095377763,
"volume_molar": 6.513646016245633,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 2
},
{
"id": "jvasp-42580",
"created_at": "2022-09-04T14:37:28.870987Z",
"updated_at": "2022-09-04T14:37:28.871022Z",
"structure_string": "V6 O10 F2\n1.0\n4.612967 0.031284 0.007120\n0.146870 5.469472 0.031159\n0.110403 0.747304 7.355150\nV O F\n6 10 2\ndirect\n0.521823 0.674130 0.841872 V\n0.478178 0.325868 0.158128 V\n0.500000 -0.000001 0.500000 V\n0.977115 0.138748 0.831904 V\n-0.000000 0.499999 0.500000 V\n0.022885 0.861250 0.168097 V\n0.201878 0.137663 0.064500 O\n0.195708 0.801963 0.397060 O\n0.297852 0.636077 0.067410 O\n0.299807 0.303880 0.399259 O\n0.298145 0.960642 0.734707 O\n0.701855 0.039356 0.265293 O\n0.702148 0.363921 0.932591 O\n0.798122 0.862335 0.935500 O\n0.804292 0.198035 0.602940 O\n0.700193 0.696118 0.600741 O\n0.796489 0.538026 0.263031 F\n0.203511 0.461972 0.736969 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.51014433624646,
"density_atomic": 0.09707196029595333,
"volume": 185.42944785622478,
"volume_molar": 6.203790200218143,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.991801153611111,
"spacegroup": 2
},
{
"id": "jvasp-42566",
"created_at": "2022-09-04T14:37:28.916382Z",
"updated_at": "2022-09-04T14:37:28.916403Z",
"structure_string": "V6 O8 F4\n1.0\n5.511441 0.000839 0.049979\n1.326424 5.363417 0.042144\n2.036725 1.591846 6.526452\nV O F\n6 8 4\ndirect\n0.499999 0.500000 -0.000000 V\n0.864226 0.800922 0.169288 V\n0.500000 0.500001 0.500000 V\n0.834069 0.816191 0.677651 V\n0.165931 0.183810 0.322348 V\n0.135773 0.199080 0.830711 V\n0.859964 0.471923 0.834798 O\n0.140036 0.528079 0.165201 O\n0.738287 0.735912 0.465965 O\n0.398286 0.400735 0.799691 O\n0.261713 0.264089 0.534034 O\n0.601714 0.599266 0.200309 O\n0.933120 0.938076 0.865279 O\n0.066880 0.061926 0.134720 O\n0.460490 0.869956 0.833826 F\n0.539510 0.130046 0.166173 F\n0.200246 0.799584 0.499705 F\n0.799754 0.200417 0.500295 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-O-V",
"density": 4.40525218342869,
"density_atomic": 0.09369847867365898,
"volume": 192.10557369551248,
"volume_molar": 6.427148919860719,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.652167462777778,
"spacegroup": 2
},
{
"id": "jvasp-10247",
"created_at": "2022-09-04T14:37:28.960522Z",
"updated_at": "2022-09-04T14:37:28.960547Z",
"structure_string": "Rb4 Li4 Si2 O8\n1.0\n5.487821 -0.008386 0.024820\n0.416728 5.638290 0.008015\n2.259027 0.799898 8.348583\nRb Li Si O\n4 4 2 8\ndirect\n0.471503 0.847312 0.734767 Rb\n0.528498 0.152688 0.265232 Rb\n0.789136 0.724576 0.020865 Rb\n0.210865 0.275423 0.979134 Rb\n0.929790 0.184335 0.437997 Li\n0.070211 0.815664 0.562002 Li\n0.696042 0.592548 0.420126 Li\n0.303959 0.407451 0.579873 Li\n0.853517 0.313948 0.721273 Si\n0.146484 0.686051 0.278726 Si\n0.001018 0.561584 0.719236 O\n-0.001016 0.438417 0.280763 O\n0.917672 0.866057 0.381937 O\n0.082329 0.133943 0.618062 O\n0.268886 0.794309 0.094015 O\n0.731115 0.205691 0.905984 O\n0.362416 0.641657 0.385668 O\n0.637585 0.358342 0.614331 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Rb-Si",
"density": 3.564275682392289,
"density_atomic": 0.06976548953038475,
"volume": 258.00721991867505,
"volume_molar": 8.631976641369649,
"formula_full": "Rb4 Li4 Si2 O8",
"formula_reduced": "Rb2Li2SiO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.3495380666666663,
"spacegroup": 2
},
{
"id": "jvasp-30594",
"created_at": "2022-09-04T14:37:29.231372Z",
"updated_at": "2022-09-04T14:37:29.231391Z",
"structure_string": "Ti2 F8\n1.0\n4.695130 0.468173 -1.438517\n-1.375636 4.882990 -2.947303\n1.128763 -1.083358 6.170954\nTi F\n2 8\ndirect\n-0.003140 0.523017 -0.008423 Ti\n0.500075 0.175515 0.005919 Ti\n0.849573 0.410321 0.216649 F\n0.647347 0.288195 0.780835 F\n0.104930 0.537740 0.747927 F\n0.149156 0.092888 0.784747 F\n0.347775 0.605637 0.212746 F\n0.391998 0.160792 0.249567 F\n0.889215 0.893272 0.241293 F\n0.607712 0.805256 0.756202 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.0541194820673527,
"density_atomic": 0.07424611024217335,
"volume": 134.6871905798479,
"volume_molar": 8.111052202407901,
"formula_full": "Ti2 F8",
"formula_reduced": "TiF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0205900565,
"spacegroup": 2
}
]
}