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=nsites&page=4346",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4344",
"results": [
{
"id": "jvasp-117317",
"created_at": "2022-09-04T14:38:26.194921Z",
"updated_at": "2022-09-04T14:38:26.194950Z",
"structure_string": "Na3 Li3 Fe2 P2 C2 O14\n1.0\n4.974316 0.014603 0.256521\n0.080674 6.622617 0.168338\n0.011212 0.088031 8.704847\nNa Li Fe P C O\n3 3 2 2 2 14\ndirect\n0.739532 0.991626 0.743948 Na\n0.742977 0.492538 0.753983 Na\n0.261116 0.507491 0.245393 Na\n0.215210 0.754720 0.891899 Li\n0.263701 0.021621 0.272211 Li\n0.765232 0.224791 0.104984 Li\n0.228769 0.248750 0.640134 Fe\n0.789352 0.763145 0.352543 Fe\n0.728622 0.251976 0.405273 P\n0.290286 0.751033 0.587749 P\n0.275068 0.236226 0.956248 C\n0.699167 0.759873 0.050797 C\n0.538284 0.791748 0.171833 O\n0.856835 0.080439 0.306219 O\n0.784382 0.448680 0.307333 O\n0.417975 0.219312 0.425929 O\n0.173718 0.762567 0.426441 O\n0.842911 0.255128 0.566640 O\n0.596356 0.738438 0.919130 O\n0.201705 0.559663 0.684761 O\n0.195092 0.928667 0.690562 O\n0.446372 0.235180 0.837125 O\n0.020231 0.243492 0.933829 O\n0.956311 0.750280 0.066104 O\n0.603108 0.751646 0.566004 O\n0.367686 0.230966 0.092934 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.962615444500976,
"density_atomic": 0.09069898708509598,
"volume": 286.6625178030508,
"volume_molar": 6.639700126253761,
"formula_full": "Na3 Li3 Fe2 P2 C2 O14",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.8074183846153846,
"spacegroup": 1
},
{
"id": "jvasp-19186",
"created_at": "2022-09-04T14:38:30.515153Z",
"updated_at": "2022-09-04T14:38:30.515181Z",
"structure_string": "Ta4 V2 Zn4 O16\n1.0\n5.296652 -0.000060 -0.015882\n-0.000132 5.921420 -0.001893\n-0.045811 -2.957251 9.543388\nTa V Zn O\n4 2 4 16\ndirect\n0.736049 0.732559 0.773620 Ta\n0.761935 0.959600 0.227760 Ta\n0.261944 0.270657 0.227767 Ta\n0.236057 0.043658 0.773632 Ta\n0.748965 0.361742 0.000691 V\n0.248971 0.641510 0.000693 V\n0.268601 0.872790 0.434985 Zn\n0.229406 0.438572 0.566457 Zn\n0.768616 0.564665 0.434944 Zn\n0.729416 0.130415 0.566411 Zn\n0.431159 0.723996 0.648026 O\n0.860271 0.456372 0.614898 O\n0.637717 0.842136 0.386494 O\n0.137745 0.546831 0.386511 O\n0.360296 0.161096 0.614893 O\n0.066848 0.076560 0.353349 O\n0.086757 0.322548 0.886793 O\n0.923406 0.187768 0.135045 O\n0.911174 0.680697 0.114575 O\n0.586756 0.566838 0.886802 O\n0.574586 0.053428 0.866343 O\n0.931183 0.926619 0.648017 O\n0.423406 0.949810 0.135035 O\n0.074570 0.815513 0.866354 O\n0.411162 0.436411 0.114578 O\n0.566859 0.279249 0.353357 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ta",
"V",
"Zn",
"O"
],
"chemical_system": "O-Ta-V-Zn",
"density": 7.453183397583031,
"density_atomic": 0.08687458564326207,
"volume": 299.282002987217,
"volume_molar": 6.931993649706776,
"formula_full": "Ta4 V2 Zn4 O16",
"formula_reduced": "Ta2VZn2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0185316461538463,
"spacegroup": 15
},
{
"id": "jvasp-44539",
"created_at": "2022-09-04T14:38:30.631831Z",
"updated_at": "2022-09-04T14:38:30.631859Z",
"structure_string": "K6 Sr2 P2 C2 O14\n1.0\n0.000000 5.619550 0.006728\n7.454435 0.000000 0.000000\n0.000000 -0.154499 -10.034958\nK Sr P C O\n6 2 2 2 14\ndirect\n0.757888 0.250000 0.082032 K\n0.251902 0.002329 0.249026 K\n0.251902 0.497671 0.249026 K\n0.748098 0.502329 0.750974 K\n0.748098 0.997670 0.750974 K\n0.242111 0.750000 0.917968 K\n0.773753 0.750000 0.378155 Sr\n0.226247 0.250000 0.621845 Sr\n0.298496 0.750000 0.591085 P\n0.701504 0.250000 0.408915 P\n0.747874 0.750000 0.074303 C\n0.252126 0.250000 0.925697 C\n0.446632 0.250000 0.856408 O\n0.211160 0.919678 0.666604 O\n0.211160 0.580321 0.666604 O\n0.575848 0.750000 0.591127 O\n0.791918 0.250000 0.556819 O\n0.208082 0.750000 0.443181 O\n0.263106 0.250000 0.054900 O\n0.788840 0.419678 0.333396 O\n0.788840 0.080322 0.333396 O\n0.553368 0.750000 0.143592 O\n0.953603 0.750000 0.136164 O\n0.046397 0.250000 0.863836 O\n0.424152 0.250000 0.408873 O\n0.736894 0.750000 0.945100 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"K",
"Sr",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Sr",
"density": 2.8433562452191223,
"density_atomic": 0.06185139829439443,
"volume": 420.3623639395776,
"volume_molar": 9.736466637886481,
"formula_full": "K6 Sr2 P2 C2 O14",
"formula_reduced": "K3SrPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.946250793076923,
"spacegroup": 11
},
{
"id": "jvasp-27531",
"created_at": "2022-09-04T14:38:33.588920Z",
"updated_at": "2022-09-04T14:38:33.588945Z",
"structure_string": "Ca10 Al4 Sb12\n1.0\n4.478103 0.000000 0.000000\n0.000000 12.044961 -0.000000\n0.000000 0.000000 14.090585\nCa Al Sb\n10 4 12\ndirect\n0.500000 0.091801 0.746965 Ca\n0.500000 0.408199 0.246965 Ca\n0.500000 0.326343 0.513101 Ca\n0.500000 0.908199 0.253035 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.173657 0.013101 Ca\n0.500000 0.826343 0.986899 Ca\n0.500000 0.673657 0.486899 Ca\n0.500000 0.591801 0.753035 Ca\n0.000000 0.331711 0.712430 Al\n0.000000 0.668289 0.287570 Al\n0.000000 0.168289 0.212430 Al\n0.000000 0.831711 0.787570 Al\n0.000000 0.026644 0.899224 Sb\n0.000000 0.844259 0.406685 Sb\n0.000000 0.155741 0.593315 Sb\n0.000000 0.655741 0.906685 Sb\n0.000000 0.344259 0.093315 Sb\n0.500000 0.338099 0.823223 Sb\n0.500000 0.661901 0.176776 Sb\n0.500000 0.838099 0.676776 Sb\n0.500000 0.161901 0.323223 Sb\n0.000000 0.526644 0.600776 Sb\n0.000000 0.473356 0.399224 Sb\n0.000000 0.973356 0.100776 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Sb"
],
"chemical_system": "Al-Ca-Sb",
"density": 4.303764473217181,
"density_atomic": 0.03420935195592214,
"volume": 760.0260897517242,
"volume_molar": 17.603784975989523,
"formula_full": "Ca10 Al4 Sb12",
"formula_reduced": "Ca5(AlSb3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 0.9600603307692306,
"spacegroup": 55
},
{
"id": "jvasp-117302",
"created_at": "2022-09-04T14:38:26.339510Z",
"updated_at": "2022-09-04T14:38:26.339535Z",
"structure_string": "Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9924206459301064,
"density_atomic": 0.09053470846840979,
"volume": 287.1826776696604,
"volume_molar": 6.651748110616937,
"formula_full": "Li4 Mn2 P4 O16",
"formula_reduced": "Li2Mn(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.7449250954907165,
"spacegroup": 2
},
{
"id": "jvasp-59103",
"created_at": "2022-09-04T14:38:29.035755Z",
"updated_at": "2022-09-04T14:38:29.035766Z",
"structure_string": "Zn6 P4 S16\n1.0\n7.795668 0.000000 -0.000000\n0.000000 7.795668 0.000000\n-0.000000 0.000000 9.207524\nZn P S\n6 4 16\ndirect\n0.000000 0.500000 0.484100 Zn\n0.500000 0.000000 0.515900 Zn\n0.000000 0.500000 0.015900 Zn\n0.500000 0.000000 0.984100 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.243512 0.256488 0.250000 P\n0.256488 0.756488 0.750000 P\n0.756488 0.743512 0.250000 P\n0.743512 0.243512 0.750000 P\n0.233535 0.969721 0.874849 S\n0.530279 0.266465 0.625150 S\n0.469721 0.733535 0.625150 S\n0.266465 0.469721 0.374850 S\n0.733535 0.530279 0.374850 S\n0.030279 0.233535 0.125150 S\n0.766465 0.030279 0.874849 S\n0.747907 0.982304 0.359329 S\n0.982304 0.252093 0.640670 S\n0.017696 0.747907 0.640670 S\n0.252093 0.017696 0.359329 S\n0.517696 0.752093 0.140671 S\n0.247907 0.517696 0.859329 S\n0.482304 0.247907 0.140671 S\n0.969721 0.766465 0.125150 S\n0.752093 0.482304 0.859329 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zn",
"P",
"S"
],
"chemical_system": "P-S-Zn",
"density": 3.054774177860576,
"density_atomic": 0.04646477280974751,
"volume": 559.5636958445571,
"volume_molar": 12.960659002160577,
"formula_full": "Zn6 P4 S16",
"formula_reduced": "Zn3(PS4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.5077863230769233,
"spacegroup": 118
},
{
"id": "jvasp-46456",
"created_at": "2022-09-04T14:38:12.786772Z",
"updated_at": "2022-09-04T14:38:12.786804Z",
"structure_string": "Li6 V2 B2 P2 O14\n1.0\n0.000000 5.007745 0.024967\n6.334768 0.000000 0.000000\n0.000000 -0.858802 -8.343326\nLi V B P O\n6 2 2 2 14\ndirect\n0.227596 0.750000 0.095088 Li\n0.734365 -0.003387 0.243168 Li\n0.734365 0.503387 0.243168 Li\n0.265637 0.496613 0.756832 Li\n0.265637 0.003387 0.756832 Li\n0.772406 0.250000 0.904912 Li\n0.210352 0.250000 0.316774 V\n0.789650 0.750000 0.683226 V\n0.696240 0.750000 0.962397 B\n0.303761 0.250000 0.037603 B\n0.266214 0.750000 0.418625 P\n0.733787 0.250000 0.581375 P\n0.504817 0.750000 0.824660 O\n0.830378 0.061186 0.691919 O\n0.830378 0.438814 0.691919 O\n0.424919 0.250000 0.544389 O\n0.136687 0.750000 0.576204 O\n0.863314 0.250000 0.423796 O\n0.621194 0.750000 0.112554 O\n0.169624 0.561186 0.308081 O\n0.169624 0.938814 0.308081 O\n0.495185 0.250000 0.175340 O\n0.043110 0.250000 0.080390 O\n0.956892 0.750000 0.919610 O\n0.575083 0.750000 0.455611 O\n0.378808 0.250000 0.887446 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"V",
"B",
"P",
"O"
],
"chemical_system": "B-Li-O-P-V",
"density": 2.8315433549979834,
"density_atomic": 0.09828429963611121,
"volume": 264.53869128907326,
"volume_molar": 6.127266290034557,
"formula_full": "Li6 V2 B2 P2 O14",
"formula_reduced": "Li3VBPO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.720661291025641,
"spacegroup": 11
},
{
"id": "jvasp-34384",
"created_at": "2022-09-04T14:38:29.697236Z",
"updated_at": "2022-09-04T14:38:29.697265Z",
"structure_string": "Mg6 B2 H6 O12\n1.0\n4.532031 -7.849707 0.000000\n4.532031 7.849707 -0.000000\n0.000000 -0.000000 3.169322\nMg B H O\n6 2 6 12\ndirect\n0.343295 0.966859 0.250000 Mg\n0.966859 0.623563 0.750000 Mg\n0.033141 0.376437 0.250000 Mg\n0.656705 0.033141 0.750000 Mg\n0.376437 0.343295 0.750000 Mg\n0.623563 0.656705 0.250000 Mg\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.169514 0.002014 0.750000 H\n0.832500 0.830486 0.750000 H\n0.167500 0.169514 0.250000 H\n0.002013 0.832500 0.250000 H\n0.830486 0.997986 0.250000 H\n0.997986 0.167500 0.750000 H\n0.842863 0.444231 0.250000 O\n0.157137 0.555769 0.750000 O\n0.555769 0.398631 0.250000 O\n0.794348 0.708954 0.750000 O\n0.708954 0.914605 0.250000 O\n0.444231 0.601368 0.750000 O\n0.398631 0.842863 0.750000 O\n0.914606 0.205651 0.750000 O\n0.601368 0.157136 0.250000 O\n0.291046 0.085394 0.750000 O\n0.205652 0.291046 0.250000 O\n0.085394 0.794348 0.250000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"B",
"H",
"O"
],
"chemical_system": "B-H-Mg-O",
"density": 2.6914407053916567,
"density_atomic": 0.11530036142396,
"volume": 225.4979921910034,
"volume_molar": 5.223002500275396,
"formula_full": "Mg6 B2 H6 O12",
"formula_reduced": "Mg3B(HO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.1022992871794868,
"spacegroup": 176
},
{
"id": "jvasp-44534",
"created_at": "2022-09-04T14:38:30.601808Z",
"updated_at": "2022-09-04T14:38:30.601831Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 5.037112 -0.013387\n6.432965 0.000000 0.000000\n0.000000 -0.231955 -8.361552\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.045059 0.524010 0.002276 Li\n0.421103 0.212552 0.812473 Li\n0.445815 0.392117 0.469460 Li\n0.554185 0.892117 0.530540 Li\n0.578898 0.712553 0.187527 Li\n0.954942 0.024010 0.997724 Li\n0.045806 0.748518 0.715852 Zn\n0.954194 0.248517 0.284148 Zn\n0.041153 0.750393 0.335750 P\n0.958848 0.250393 0.664250 P\n0.537767 0.736276 0.877511 C\n0.462233 0.236276 0.122489 C\n0.923696 0.564373 0.237444 O\n0.959179 0.940347 0.232186 O\n0.544148 0.252835 0.270331 O\n0.343259 0.726180 0.367789 O\n0.895935 0.767979 0.497276 O\n0.104065 0.267978 0.502724 O\n0.374109 0.703232 0.990480 O\n0.455853 0.752836 0.729669 O\n0.040821 0.440346 0.767814 O\n0.076304 0.064373 0.762557 O\n0.790059 0.755796 0.912484 O\n0.209942 0.255796 0.087516 O\n0.656741 0.226180 0.632211 O\n0.625891 0.203232 0.009520 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zn",
"density": 2.9564243189573673,
"density_atomic": 0.0959536809184328,
"volume": 270.96407090522956,
"volume_molar": 6.27609144574582,
"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.330573107692308,
"spacegroup": 4
},
{
"id": "jvasp-44608",
"created_at": "2022-09-04T14:38:29.278986Z",
"updated_at": "2022-09-04T14:38:29.279011Z",
"structure_string": "Li6 Cr2 Si2 B2 O14\n1.0\n0.000000 5.054238 0.047184\n6.243640 0.000000 0.000000\n0.000000 -0.782266 -8.237056\nLi Cr Si B O\n6 2 2 2 14\ndirect\n0.234594 0.750000 0.102463 Li\n0.740214 0.002810 0.246457 Li\n0.740214 0.497190 0.246457 Li\n0.259786 0.502810 0.753544 Li\n0.259786 0.997190 0.753544 Li\n0.765406 0.250000 0.897538 Li\n0.202429 0.250000 0.314326 Cr\n0.797571 0.750000 0.685675 Cr\n0.727209 0.250000 0.572587 Si\n0.272791 0.750000 0.427414 Si\n0.295584 0.250000 0.034770 B\n0.704416 0.750000 0.965231 B\n0.516573 0.750000 0.826456 O\n0.817737 0.051131 0.697160 O\n0.817737 0.448869 0.697160 O\n0.403438 0.250000 0.522474 O\n0.128651 0.750000 0.594056 O\n0.871349 0.250000 0.405945 O\n0.631705 0.750000 0.117142 O\n0.182263 0.551131 0.302841 O\n0.182263 0.948869 0.302841 O\n0.483426 0.250000 0.173545 O\n0.037481 0.250000 0.081352 O\n0.962519 0.750000 0.918649 O\n0.596561 0.750000 0.477527 O\n0.368295 0.250000 0.882859 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Si",
"B",
"O"
],
"chemical_system": "B-Cr-Li-O-Si",
"density": 2.860795790455387,
"density_atomic": 0.10011358126675222,
"volume": 259.70502374421216,
"volume_molar": 6.015308496410723,
"formula_full": "Li6 Cr2 Si2 B2 O14",
"formula_reduced": "Li3CrSiBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.7765717756410258,
"spacegroup": 11
},
{
"id": "jvasp-44533",
"created_at": "2022-09-04T14:38:30.266384Z",
"updated_at": "2022-09-04T14:38:30.266404Z",
"structure_string": "Li6 Mg2 P2 C2 O14\n1.0\n0.000000 5.011185 0.000118\n6.411563 0.000000 0.000000\n0.000000 -0.309525 -8.312246\nLi Mg P C O\n6 2 2 2 14\ndirect\n0.036285 0.517279 0.002479 Li\n0.417184 0.223996 0.823440 Li\n0.437673 0.388381 0.478832 Li\n0.562327 0.888380 0.521169 Li\n0.582816 0.723996 0.176560 Li\n0.963714 0.017280 -0.002479 Li\n0.050860 0.747757 0.723897 Mg\n0.949140 0.247757 0.276103 Mg\n0.043356 0.747931 0.334119 P\n0.956644 0.247932 0.665882 P\n0.533451 0.739436 0.868873 C\n0.466549 0.239437 0.131127 C\n0.924560 0.559691 0.236410 O\n0.952253 0.939713 0.232958 O\n0.537529 0.247121 0.281921 O\n0.349897 0.726952 0.358358 O\n0.912745 0.762873 0.499574 O\n0.087255 0.262873 0.500426 O\n0.354836 0.719819 0.976585 O\n0.462471 0.747120 0.718079 O\n0.047747 0.439713 0.767042 O\n0.075440 0.059691 0.763590 O\n0.783819 0.753649 0.913590 O\n0.216181 0.253649 0.086410 O\n0.650103 0.226952 0.641642 O\n0.645164 0.219819 0.023415 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Mg",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mg-O-P",
"density": 2.4884089588477316,
"density_atomic": 0.09735337030185293,
"volume": 267.0683091852357,
"volume_molar": 6.185857501725732,
"formula_full": "Li6 Mg2 P2 C2 O14",
"formula_reduced": "Li3MgPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.380214542307692,
"spacegroup": 4
},
{
"id": "jvasp-26783",
"created_at": "2022-09-04T14:38:29.845681Z",
"updated_at": "2022-09-04T14:38:29.845707Z",
"structure_string": "Th4 P4 O18\n1.0\n5.893823 0.002406 -0.000000\n-1.461280 5.709800 -0.000000\n0.000000 0.000000 12.983574\nTh P O\n4 4 18\ndirect\n0.291986 0.708014 0.572148 Th\n0.708014 0.291986 0.427852 Th\n0.208014 0.791986 0.072148 Th\n0.791986 0.208015 0.927852 Th\n0.389342 0.610658 0.858639 P\n0.110658 0.889342 0.358640 P\n0.610658 0.389343 0.141360 P\n0.889342 0.110658 0.641360 P\n0.149645 0.515451 0.915397 O\n0.853756 0.146245 0.756038 O\n0.500000 0.500000 0.500000 O\n0.551739 0.448261 0.876054 O\n0.515451 0.149646 0.084602 O\n0.353756 0.646244 0.743961 O\n0.350354 0.984549 0.415398 O\n0.948261 0.051740 0.376054 O\n0.649645 0.015452 0.584602 O\n0.850354 0.484549 0.084602 O\n0.448261 0.551739 0.123945 O\n0.015451 0.649646 0.415398 O\n0.484549 0.850355 0.915397 O\n0.146244 0.853756 0.243962 O\n0.984548 0.350355 0.584602 O\n0.051739 0.948261 0.623945 O\n0.646244 0.353756 0.256038 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"P",
"O"
],
"chemical_system": "O-P-Th",
"density": 5.092231135687772,
"density_atomic": 0.05949983132073218,
"volume": 436.97602871927023,
"volume_molar": 10.121273668050954,
"formula_full": "Th4 P4 O18",
"formula_reduced": "Th2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.0058033615384616,
"spacegroup": 64
}
]
}