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=-formula_anonymous&page=3369",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3367",
"results": [
{
"id": "jvasp-89096",
"created_at": "2022-09-04T14:35:55.512452Z",
"updated_at": "2022-09-04T14:35:55.512478Z",
"structure_string": "Na2 Sn4 P6 O24\n1.0\n7.572103 -0.083713 4.850975\n2.610977 7.108203 4.850975\n-0.121355 -0.083713 8.991884\nNa Sn P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.499999 Na\n0.644949 0.644950 0.644949 Sn\n0.855050 0.855051 0.855049 Sn\n0.355050 0.355050 0.355050 Sn\n0.144950 0.144950 0.144950 Sn\n0.042963 0.750000 0.457036 P\n0.542963 0.957037 0.249999 P\n0.249999 0.542964 0.957036 P\n0.457036 0.042964 0.749999 P\n0.957036 0.250001 0.542962 P\n0.750000 0.457037 0.042963 P\n0.618359 0.012849 0.790870 O\n0.881639 0.709130 0.487151 O\n0.709129 0.487152 0.881639 O\n0.487152 0.881640 0.709128 O\n0.012848 0.790871 0.618360 O\n0.790871 0.618360 0.012847 O\n0.773021 0.418073 0.562621 O\n0.512848 0.118361 0.290870 O\n0.418072 0.562622 0.773021 O\n0.562621 0.773022 0.418071 O\n0.937377 0.081928 0.726978 O\n0.081927 0.726979 0.937378 O\n0.726978 0.937378 0.081927 O\n0.226978 0.581928 0.437378 O\n0.290871 0.512848 0.118360 O\n0.581927 0.437379 0.226978 O\n0.062622 0.918072 0.273021 O\n0.918072 0.273022 0.062621 O\n0.273021 0.062622 0.918072 O\n0.381640 0.987152 0.209128 O\n0.209129 0.381640 0.987151 O\n0.987151 0.209130 0.381639 O\n0.437378 0.226979 0.581927 O\n0.118360 0.290871 0.512848 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Sn",
"P",
"O"
],
"chemical_system": "Na-O-P-Sn",
"density": 3.6795760464892635,
"density_atomic": 0.07314197687840521,
"volume": 492.19342348167805,
"volume_molar": 8.233494659313763,
"formula_full": "Na2 Sn4 P6 O24",
"formula_reduced": "NaSn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.5331422722222223,
"spacegroup": 167
},
{
"id": "jvasp-96932",
"created_at": "2022-09-04T14:35:53.969376Z",
"updated_at": "2022-09-04T14:35:53.969401Z",
"structure_string": "Rb2 Th4 P6 O24\n1.0\n6.469550 0.000000 -2.517021\n-0.629910 7.961376 -1.619068\n0.003553 0.009205 9.582049\nRb Th P O\n2 4 6 24\ndirect\n0.597460 0.250000 0.000000 Rb\n0.402540 0.750000 -0.000000 Rb\n0.247148 0.533543 0.308498 Th\n0.061349 0.033543 0.308498 Th\n0.938650 0.966458 0.691502 Th\n0.752851 0.466458 0.691502 Th\n0.099300 0.250000 -0.000000 P\n0.398732 0.818507 0.618890 P\n0.601267 0.181494 0.381110 P\n0.220157 0.318507 0.618890 P\n0.779843 0.681494 0.381110 P\n0.900701 0.750000 0.000000 P\n0.400267 0.067395 0.306926 O\n0.044576 0.245192 0.143813 O\n0.174414 0.331205 0.448882 O\n0.740863 0.153685 0.287677 O\n0.274468 0.831205 0.448882 O\n0.449892 0.629480 0.593981 O\n0.855911 0.870521 0.406019 O\n0.599733 0.932606 0.693074 O\n0.245073 0.411466 0.052213 O\n0.754927 0.588536 0.947787 O\n0.546814 0.653685 0.287677 O\n0.099237 0.745192 0.143813 O\n0.807140 0.911466 0.052213 O\n0.550108 0.370521 0.406019 O\n0.955424 0.754809 0.856187 O\n0.900763 0.254809 0.856187 O\n0.906659 0.567395 0.306926 O\n0.259137 0.846316 0.712323 O\n0.144089 0.129480 0.593981 O\n0.093340 0.432606 0.693074 O\n0.192859 0.088535 0.947787 O\n0.453186 0.346316 0.712323 O\n0.725531 0.168796 0.551118 O\n0.825586 0.668796 0.551118 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Th",
"P",
"O"
],
"chemical_system": "O-P-Rb-Th",
"density": 5.613098619176631,
"density_atomic": 0.07291579151440813,
"volume": 493.7202113877679,
"volume_molar": 8.259035025094704,
"formula_full": "Rb2 Th4 P6 O24",
"formula_reduced": "RbTh2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.8801522055555555,
"spacegroup": 15
},
{
"id": "jvasp-98803",
"created_at": "2022-09-04T14:38:07.801545Z",
"updated_at": "2022-09-04T14:38:07.801573Z",
"structure_string": "Li2 V6 Te4 O24\n1.0\n6.197119 -0.031710 -0.342787\n-1.832226 6.874078 -0.262933\n0.022107 0.033744 10.710575\nLi V Te O\n2 6 4 24\ndirect\n0.794379 0.759188 0.107399 Li\n0.205621 0.240812 0.892602 Li\n0.379884 0.802857 0.582427 V\n0.620110 0.230687 0.079448 V\n0.379890 0.769313 0.920552 V\n0.661861 0.219318 0.751537 V\n0.620116 0.197143 0.417573 V\n0.338139 0.780681 0.248464 V\n0.838172 0.776692 0.406664 Te\n0.140421 0.183159 0.214112 Te\n0.161828 0.223308 0.593336 Te\n0.859579 0.816841 0.785888 Te\n0.521886 0.161036 0.254233 O\n0.358373 0.269274 0.458152 O\n0.376266 0.280853 0.734441 O\n0.146641 0.877649 0.883487 O\n0.853359 0.122351 0.116514 O\n0.414913 0.839336 0.083280 O\n0.623734 0.719147 0.265560 O\n0.741621 0.461972 0.091047 O\n0.621339 0.121180 0.592665 O\n0.827545 0.438438 0.753401 O\n0.910878 0.100597 0.786625 O\n0.200456 0.588348 0.575679 O\n0.148038 0.942953 0.595146 O\n0.851962 0.057047 0.404854 O\n0.799544 0.411651 0.424321 O\n0.172455 0.561562 0.246600 O\n0.641627 0.730726 0.541848 O\n0.700300 0.775364 0.934706 O\n0.299700 0.224636 0.065294 O\n0.378661 0.878820 0.407336 O\n0.478114 0.838964 0.745768 O\n0.089121 0.899403 0.213376 O\n0.258378 0.538027 0.908954 O\n0.585087 0.160664 0.916720 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.422737617428121,
"density_atomic": 0.07898701982430453,
"volume": 455.7710884658886,
"volume_molar": 7.624215691888871,
"formula_full": "Li2 V6 Te4 O24",
"formula_reduced": "LiV3(TeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.996192785185185,
"spacegroup": 2
},
{
"id": "jvasp-99334",
"created_at": "2022-09-04T14:36:34.877320Z",
"updated_at": "2022-09-04T14:36:34.877350Z",
"structure_string": "K2 U4 P6 O24\n1.0\n8.123001 -0.025991 5.624138\n2.932834 7.575111 5.624138\n-0.038064 -0.025991 9.879910\nK U P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.850669 0.850669 0.850670 U\n0.149330 0.149330 0.149331 U\n0.649330 0.649330 0.649331 U\n0.350669 0.350670 0.350670 U\n0.750000 0.043989 0.456011 P\n0.250000 0.956011 0.543989 P\n0.043989 0.456011 0.750000 P\n0.543989 0.250000 0.956011 P\n0.956011 0.543989 0.250000 P\n0.456011 0.750000 0.043989 P\n0.884371 0.486987 0.728083 O\n0.085765 0.929455 0.711178 O\n0.384371 0.228083 0.986987 O\n0.429455 0.585765 0.211178 O\n0.228082 0.986987 0.384371 O\n0.115629 0.513013 0.271917 O\n0.513013 0.271917 0.115630 O\n0.788823 0.570545 0.414235 O\n0.711178 0.085765 0.929455 O\n0.570545 0.414235 0.788823 O\n0.271917 0.115629 0.513013 O\n0.986987 0.384371 0.228083 O\n0.615629 0.771917 0.013014 O\n0.211177 0.429455 0.585765 O\n0.070545 0.288823 0.914235 O\n0.414235 0.788823 0.570545 O\n0.728082 0.884371 0.486988 O\n0.771917 0.013013 0.615629 O\n0.585765 0.211177 0.429455 O\n0.929455 0.711177 0.085766 O\n0.288822 0.914235 0.070545 O\n0.486987 0.728083 0.884371 O\n0.013013 0.615629 0.771917 O\n0.914235 0.070545 0.288823 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"U",
"P",
"O"
],
"chemical_system": "K-O-P-U",
"density": 4.348225174887309,
"density_atomic": 0.058912484141564365,
"volume": 611.0759124244944,
"volume_molar": 10.222180999071496,
"formula_full": "K2 U4 P6 O24",
"formula_reduced": "KU2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 3.260648805555556,
"spacegroup": 167
},
{
"id": "jvasp-50469",
"created_at": "2022-09-04T14:36:32.887542Z",
"updated_at": "2022-09-04T14:36:32.887564Z",
"structure_string": "Li2 Ti1 Te3 O12\n1.0\n0.000000 4.923848 0.027310\n8.466203 0.000000 0.000000\n0.000000 -0.096804 -5.180749\nLi Ti Te O\n2 1 3 12\ndirect\n0.000000 0.695738 0.500000 Li\n0.500001 0.823293 0.500000 Li\n0.000000 0.906490 0.000000 Ti\n0.500000 0.589217 -0.000000 Te\n0.000000 0.080332 0.500000 Te\n0.500001 0.388725 0.500000 Te\n0.797631 0.065954 0.806561 O\n0.287386 0.567476 0.670190 O\n0.205547 0.908958 0.675494 O\n0.248940 0.242631 0.647735 O\n0.751061 0.242631 0.352265 O\n0.202370 0.065954 0.193439 O\n0.712615 0.567476 0.329810 O\n0.709015 0.418655 0.820783 O\n0.290987 0.418655 0.179217 O\n0.259815 0.741037 0.143868 O\n0.794455 0.908958 0.324506 O\n0.740187 0.741037 0.856132 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Te",
"O"
],
"chemical_system": "Li-O-Te-Ti",
"density": 4.894802461494233,
"density_atomic": 0.08335499878603257,
"volume": 215.9438577427726,
"volume_molar": 7.224690597691068,
"formula_full": "Li2 Ti1 Te3 O12",
"formula_reduced": "Li2Ti(TeO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.488609090740741,
"spacegroup": 3
},
{
"id": "jvasp-22886",
"created_at": "2022-09-04T14:38:16.047473Z",
"updated_at": "2022-09-04T14:38:16.047497Z",
"structure_string": "Zr6 Tl4 O2 F24\n1.0\n7.247334 -0.028820 8.212552\n3.085982 6.557545 8.212552\n-0.045615 -0.028820 10.952980\nZr Tl O F\n6 4 2 24\ndirect\n0.576145 0.029651 0.576144 Zr\n0.576144 0.576144 0.029651 Zr\n0.029652 0.576144 0.576144 Zr\n0.970349 0.423855 0.423856 Zr\n0.423856 0.970348 0.423856 Zr\n0.423856 0.423855 0.970349 Zr\n0.000000 0.000000 0.000000 Tl\n0.138244 0.138244 0.138244 Tl\n0.861756 0.861756 0.861756 Tl\n0.500000 0.500000 0.500000 Tl\n0.712552 0.712551 0.712552 O\n0.287448 0.287448 0.287448 O\n0.000000 0.351753 0.648246 F\n0.706303 0.706303 0.371070 F\n0.706304 0.371070 0.706303 F\n0.371071 0.706303 0.706303 F\n0.628930 0.293696 0.293697 F\n0.293697 0.293696 0.628929 F\n0.293697 0.628929 0.293697 F\n0.910758 0.910758 0.403114 F\n0.403114 0.910758 0.910758 F\n0.596886 0.089242 0.089242 F\n0.351754 0.648246 0.000000 F\n0.089242 0.089242 0.596886 F\n0.650947 0.650947 0.081294 F\n0.650947 0.081294 0.650947 F\n0.081294 0.650947 0.650947 F\n0.918706 0.349053 0.349053 F\n0.910758 0.403114 0.910758 F\n0.349053 0.918705 0.349053 F\n0.351754 0.000000 0.648246 F\n0.000000 0.648246 0.351754 F\n0.648246 0.351753 0.000000 F\n0.648246 0.000000 0.351754 F\n0.089242 0.596886 0.089242 F\n0.349053 0.349053 0.918706 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Zr",
"Tl",
"O",
"F"
],
"chemical_system": "F-O-Tl-Zr",
"density": 5.8608037803684025,
"density_atomic": 0.06857616769698913,
"volume": 524.9637185774177,
"volume_molar": 8.78168168657288,
"formula_full": "Zr6 Tl4 O2 F24",
"formula_reduced": "Zr3Tl2OF12",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 0.6634330883333337,
"spacegroup": 166
},
{
"id": "jvasp-99069",
"created_at": "2022-09-04T14:35:59.711116Z",
"updated_at": "2022-09-04T14:35:59.711142Z",
"structure_string": "K2 Zr4 P6 O24\n1.0\n7.805342 -0.011512 5.427675\n2.830553 7.274027 5.427675\n-0.016860 -0.011512 9.506983\nK Zr P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500001 0.499999 K\n0.148845 0.148846 0.148845 Zr\n0.351154 0.351155 0.351154 Zr\n0.851153 0.851155 0.851153 Zr\n0.648845 0.648846 0.648845 Zr\n0.750000 0.036931 0.463069 P\n0.036930 0.463070 0.749999 P\n0.463069 0.750001 0.036930 P\n0.249999 0.963070 0.536930 P\n0.963069 0.536931 0.249999 P\n0.536930 0.250001 0.963069 P\n0.367043 0.239789 0.989099 O\n0.739788 0.867045 0.489099 O\n0.760211 0.010901 0.632955 O\n0.010900 0.632957 0.760211 O\n0.632955 0.760212 0.010900 O\n0.132956 0.510901 0.260211 O\n0.510900 0.260212 0.132956 O\n0.260211 0.132956 0.510900 O\n0.239788 0.989100 0.367043 O\n0.989099 0.367044 0.239788 O\n0.069186 0.294078 0.922545 O\n0.930812 0.705923 0.077454 O\n0.922545 0.069187 0.294077 O\n0.577454 0.205923 0.430813 O\n0.205922 0.430814 0.577454 O\n0.430813 0.577455 0.205922 O\n0.489099 0.739790 0.867043 O\n0.705922 0.077455 0.930812 O\n0.077454 0.930814 0.705922 O\n0.422545 0.794078 0.569186 O\n0.794077 0.569187 0.422544 O\n0.569186 0.422546 0.794077 O\n0.294077 0.922546 0.069186 O\n0.867043 0.489100 0.739788 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Zr",
"P",
"O"
],
"chemical_system": "K-O-P-Zr",
"density": 3.108711850291047,
"density_atomic": 0.06653626140103329,
"volume": 541.0583528734443,
"volume_molar": 9.050915445493422,
"formula_full": "K2 Zr4 P6 O24",
"formula_reduced": "KZr2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 3.0214241944444447,
"spacegroup": 167
},
{
"id": "jvasp-98239",
"created_at": "2022-09-04T14:35:57.694332Z",
"updated_at": "2022-09-04T14:35:57.694345Z",
"structure_string": "Na2 Ge4 P6 O24\n1.0\n7.176688 0.017722 4.786577\n2.570252 6.700670 4.786577\n0.025711 0.017722 8.626442\nNa Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.351829 0.351829 0.351829 Ge\n0.648171 0.648170 0.648171 Ge\n0.143387 0.143387 0.143387 Ge\n0.856613 0.856613 0.856614 Ge\n0.249255 0.537243 0.965086 P\n0.537243 0.965086 0.249256 P\n0.965086 0.249255 0.537244 P\n0.750745 0.462756 0.034914 P\n0.462757 0.034913 0.750745 P\n0.034914 0.750744 0.462757 P\n0.475942 0.836592 0.775469 O\n0.378817 0.990144 0.198178 O\n0.009856 0.801823 0.621184 O\n0.801823 0.621183 0.009856 O\n0.621184 0.009855 0.801823 O\n0.163407 0.224531 0.524059 O\n0.224531 0.524058 0.163408 O\n0.524059 0.163407 0.224531 O\n0.836593 0.775468 0.475942 O\n0.775469 0.475941 0.836593 O\n0.883860 0.105070 0.748003 O\n0.806471 0.463889 0.512547 O\n0.748002 0.883860 0.105071 O\n0.116140 0.894929 0.251998 O\n0.894930 0.251997 0.116140 O\n0.251998 0.116139 0.894929 O\n0.198177 0.378816 0.990145 O\n0.463890 0.512546 0.806472 O\n0.512546 0.806471 0.463890 O\n0.193529 0.536110 0.487454 O\n0.536110 0.487454 0.193529 O\n0.487454 0.193528 0.536110 O\n0.105071 0.748002 0.883861 O\n0.990145 0.198177 0.378817 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Ge",
"P",
"O"
],
"chemical_system": "Ge-Na-O-P",
"density": 3.6422040621707388,
"density_atomic": 0.08711907435342152,
"volume": 413.2275310221559,
"volume_molar": 6.912539882563027,
"formula_full": "Na2 Ge4 P6 O24",
"formula_reduced": "NaGe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.587979411111111,
"spacegroup": 148
},
{
"id": "jvasp-95282",
"created_at": "2022-09-04T14:35:54.223000Z",
"updated_at": "2022-09-04T14:35:54.223020Z",
"structure_string": "Zr4 Ga2 P6 O24\n1.0\n-4.422181 -7.659440 0.000000\n-8.844359 -0.000000 0.000000\n-4.422181 -2.553147 -7.967631\nZr Ga P O\n4 2 6 24\ndirect\n0.351734 0.351733 0.944802 Zr\n0.851734 0.851733 0.444802 Zr\n0.648267 0.648267 0.055198 Zr\n0.148267 0.148266 0.555198 Zr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.037485 0.462515 0.750000 P\n0.462516 0.750000 0.750000 P\n0.750000 0.037484 0.750000 P\n0.537485 0.250000 0.250000 P\n0.250000 0.962515 0.250000 P\n0.962515 0.537485 0.250000 P\n0.578109 0.208134 0.781624 O\n0.291866 0.921891 0.718376 O\n0.791866 0.567868 0.218376 O\n0.567868 0.421891 0.218376 O\n0.421891 0.791866 0.218376 O\n0.078109 0.932132 0.281624 O\n0.932132 0.708134 0.281624 O\n0.708134 0.078109 0.281624 O\n0.208134 0.432132 0.781624 O\n0.432132 0.578109 0.781624 O\n0.233648 0.990703 0.406029 O\n0.766353 0.009297 0.593971 O\n0.369621 0.233648 0.406029 O\n0.869621 0.490702 0.906029 O\n0.490703 0.733648 0.906029 O\n0.733648 0.869621 0.906029 O\n0.067869 0.291866 0.718376 O\n0.009298 0.630379 0.593971 O\n0.630379 0.766352 0.593971 O\n0.130379 0.509297 0.093971 O\n0.509297 0.266352 0.093971 O\n0.266352 0.130379 0.093971 O\n0.990703 0.369621 0.406029 O\n0.921891 0.067868 0.718376 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Zr",
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P-Zr",
"density": 3.3046813705477347,
"density_atomic": 0.06669755394600198,
"volume": 539.7499288976238,
"volume_molar": 9.029027908393006,
"formula_full": "Zr4 Ga2 P6 O24",
"formula_reduced": "Zr2Ga(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 3.0645155458333337,
"spacegroup": 167
},
{
"id": "jvasp-88043",
"created_at": "2022-09-04T14:36:17.966845Z",
"updated_at": "2022-09-04T14:36:17.966868Z",
"structure_string": "Li2 Ge4 P6 O24\n1.0\n7.235785 -0.026865 4.206706\n2.407566 6.823557 4.206706\n-0.038118 -0.026865 8.369677\nLi Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Li\n0.139897 0.139897 0.139897 Ge\n0.360103 0.360103 0.360104 Ge\n0.860103 0.860102 0.860105 Ge\n0.639897 0.639896 0.639898 Ge\n0.750000 0.461115 0.038885 P\n0.461115 0.038884 0.750001 P\n0.038885 0.750000 0.461116 P\n0.250000 0.538884 0.961117 P\n0.538884 0.961116 0.250001 P\n0.961115 0.249999 0.538886 P\n0.264040 0.055720 0.920166 O\n0.555721 0.764040 0.420166 O\n0.944279 0.079833 0.735961 O\n0.079835 0.735959 0.944280 O\n0.735959 0.944279 0.079835 O\n0.235960 0.579834 0.444280 O\n0.579834 0.444279 0.235960 O\n0.444279 0.235959 0.579835 O\n0.055721 0.920166 0.264041 O\n0.920165 0.264040 0.055722 O\n0.871931 0.697341 0.493432 O\n0.128069 0.302658 0.506570 O\n0.493430 0.871931 0.697342 O\n0.006570 0.802659 0.628069 O\n0.802659 0.628069 0.006571 O\n0.628069 0.006569 0.802660 O\n0.420166 0.555720 0.764042 O\n0.302659 0.506570 0.128069 O\n0.506570 0.128068 0.302659 O\n0.993430 0.197340 0.371932 O\n0.197341 0.371930 0.993431 O\n0.371931 0.993430 0.197342 O\n0.697341 0.493429 0.871932 O\n0.764040 0.420165 0.555722 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Ge",
"P",
"O"
],
"chemical_system": "Ge-Li-O-P",
"density": 3.494610927783325,
"density_atomic": 0.08665758311716157,
"volume": 415.4281564872146,
"volume_molar": 6.949352316759206,
"formula_full": "Li2 Ge4 P6 O24",
"formula_reduced": "LiGe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.686704466666667,
"spacegroup": 167
},
{
"id": "jvasp-91323",
"created_at": "2022-09-04T14:36:15.909851Z",
"updated_at": "2022-09-04T14:36:15.909882Z",
"structure_string": "Rb2 V6 Se4 O24\n1.0\n7.146013 -0.000001 0.000000\n-3.573005 6.188630 -0.000000\n0.000000 0.000000 11.395590\nRb V Se O\n2 6 4 24\ndirect\n0.666667 0.333333 0.031157 Rb\n0.333332 0.666667 0.531157 Rb\n0.789899 0.123623 0.709270 V\n0.666275 0.789900 0.209270 V\n0.876377 0.666276 0.709270 V\n0.210100 0.876378 0.209270 V\n0.123622 0.333724 0.209270 V\n0.333724 0.210101 0.709270 V\n0.666667 0.333333 0.477527 Se\n0.333332 0.666667 0.977527 Se\n0.000000 0.000000 0.435852 Se\n0.000000 0.000000 0.935852 Se\n0.119205 0.866056 0.368986 O\n0.880794 0.133944 0.868986 O\n0.746849 0.880794 0.368986 O\n0.133944 0.253150 0.368986 O\n0.866055 0.746850 0.868986 O\n0.253150 0.119206 0.868986 O\n0.748183 0.875513 0.676381 O\n0.216051 0.414764 0.043476 O\n0.872670 0.748184 0.176381 O\n0.875512 0.127330 0.176381 O\n0.124487 0.872671 0.676381 O\n0.127329 0.251816 0.676381 O\n0.251815 0.124487 0.176381 O\n0.540151 0.081113 0.735946 O\n0.585236 0.801287 0.043476 O\n0.459037 0.540151 0.235946 O\n0.918886 0.459037 0.735946 O\n0.540962 0.459849 0.735946 O\n0.459848 0.918887 0.235946 O\n0.198713 0.783949 0.043476 O\n0.414763 0.198714 0.543476 O\n0.783948 0.585236 0.543476 O\n0.081113 0.540963 0.235946 O\n0.801286 0.216051 0.543476 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"V",
"Se",
"O"
],
"chemical_system": "O-Rb-Se-V",
"density": 3.8762589167660506,
"density_atomic": 0.07143439981847668,
"volume": 503.95887823626,
"volume_molar": 8.430309172195718,
"formula_full": "Rb2 V6 Se4 O24",
"formula_reduced": "RbV3(SeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.9553706296296296,
"spacegroup": 173
},
{
"id": "jvasp-60695",
"created_at": "2022-09-04T14:37:05.226203Z",
"updated_at": "2022-09-04T14:37:05.226226Z",
"structure_string": "K2 V6 Se4 O24\n1.0\n3.565649 -6.175885 -0.000000\n3.565650 6.175885 0.000000\n0.000000 -0.000000 11.348484\nK V Se O\n2 6 4 24\ndirect\n0.333333 0.666667 0.947450 K\n0.666667 0.333333 0.447450 K\n0.789448 0.123402 0.783761 V\n0.666046 0.789448 0.283762 V\n0.123402 0.333954 0.283762 V\n0.876598 0.666046 0.783761 V\n0.333954 0.210553 0.783761 V\n0.210552 0.876599 0.283762 V\n0.000000 0.000000 0.056290 Se\n0.000000 0.000000 0.556290 Se\n0.333333 0.666667 0.516645 Se\n0.666667 0.333333 0.016646 Se\n0.746955 0.874457 0.817275 O\n0.919609 0.458611 0.757511 O\n0.080391 0.541390 0.257511 O\n0.458611 0.539002 0.257511 O\n0.539002 0.080391 0.757511 O\n0.253045 0.125543 0.317275 O\n0.127502 0.253045 0.817275 O\n0.125543 0.872499 0.817275 O\n0.874457 0.127502 0.317275 O\n0.872498 0.746955 0.317275 O\n0.120368 0.866444 0.123458 O\n0.198638 0.784062 0.450216 O\n0.866444 0.746076 0.623458 O\n0.133556 0.253924 0.123458 O\n0.746076 0.879632 0.123458 O\n0.879632 0.133556 0.623458 O\n0.541389 0.460998 0.757511 O\n0.414576 0.198638 0.950215 O\n0.784062 0.585424 0.950215 O\n0.215938 0.414576 0.450216 O\n0.585424 0.801362 0.450216 O\n0.801362 0.215938 0.950215 O\n0.253924 0.120368 0.623458 O\n0.460998 0.919609 0.257511 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"V",
"Se",
"O"
],
"chemical_system": "K-O-Se-V",
"density": 3.6003185906370616,
"density_atomic": 0.07202724519038069,
"volume": 499.81086885727285,
"volume_molar": 8.360920571212215,
"formula_full": "K2 V6 Se4 O24",
"formula_reduced": "KV3(SeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.956606629629629,
"spacegroup": 173
}
]
}