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=4349",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4347",
"results": [
{
"id": "jvasp-97433",
"created_at": "2022-09-04T14:35:54.982860Z",
"updated_at": "2022-09-04T14:35:54.982888Z",
"structure_string": "Tl2 Mo6 O18\n1.0\n6.432188 0.009349 -0.329834\n-0.189493 6.903758 -3.499678\n0.013829 -0.147191 8.273325\nTl Mo O\n2 6 18\ndirect\n0.171811 0.311335 0.622669 Tl\n0.828190 0.688666 0.377331 Tl\n0.641224 0.121737 0.243473 Mo\n0.358776 0.878264 0.756527 Mo\n0.268236 0.799121 0.118616 Mo\n0.731765 0.680505 0.881384 Mo\n0.731765 0.200880 0.881384 Mo\n0.268236 0.319496 0.118616 Mo\n0.410420 0.680150 0.835160 O\n0.589582 0.844989 0.164840 O\n0.208932 0.428269 0.340806 O\n0.791069 0.087463 0.659194 O\n0.791069 0.571731 0.659194 O\n0.208932 0.912537 0.340806 O\n0.691257 0.961406 0.922811 O\n0.308743 0.038594 0.077189 O\n0.902694 0.148587 0.297173 O\n0.294842 0.540273 0.080545 O\n0.097307 0.851414 0.702827 O\n0.410419 0.155011 0.835160 O\n0.474492 0.775410 0.550819 O\n0.525509 0.224591 0.449181 O\n0.000000 0.258822 -0.000000 O\n0.000000 0.741178 -0.000000 O\n0.705159 0.459728 0.919455 O\n0.589581 0.319851 0.164840 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 5.802804745477058,
"density_atomic": 0.07140686740678603,
"volume": 364.11063731286345,
"volume_molar": 8.433559654274505,
"formula_full": "Tl2 Mo6 O18",
"formula_reduced": "Tl(MoO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.5303939846153845,
"spacegroup": 12
},
{
"id": "jvasp-91443",
"created_at": "2022-09-04T14:35:55.484685Z",
"updated_at": "2022-09-04T14:35:55.484714Z",
"structure_string": "Cr2 Hg10 S4 O10\n1.0\n6.997311 -0.090348 1.190284\n2.761220 7.781214 0.961021\n0.039141 -0.051124 9.441239\nCr Hg S O\n2 10 4 10\ndirect\n0.411399 0.626473 0.703428 Cr\n0.588601 0.373527 0.296571 Cr\n0.856510 0.436388 0.914684 Hg\n0.143490 0.563612 0.085316 Hg\n0.624153 0.718549 0.029789 Hg\n0.375847 0.281451 0.970211 Hg\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.197125 0.824971 0.352220 Hg\n0.802875 0.175028 0.647780 Hg\n0.670595 0.887588 0.351921 Hg\n0.329405 0.112411 0.648079 Hg\n0.095200 0.199516 0.473925 S\n0.904800 0.800484 0.526075 S\n0.421175 0.954799 0.191153 S\n0.578824 0.045201 0.808847 S\n0.393746 0.779821 0.570075 O\n0.259324 0.515804 0.695030 O\n0.740676 0.484196 0.304969 O\n0.651601 0.491162 0.692855 O\n0.348398 0.508838 0.307144 O\n0.350153 0.718312 0.860877 O\n0.649846 0.281687 0.139123 O\n0.022742 0.183046 0.842978 O\n0.977258 0.816954 0.157021 O\n0.606254 0.220178 0.429925 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Cr",
"Hg",
"S",
"O"
],
"chemical_system": "Cr-Hg-O-S",
"density": 7.714216908755914,
"density_atomic": 0.050366345572993625,
"volume": 516.2177184826602,
"volume_molar": 11.956676013494743,
"formula_full": "Cr2 Hg10 S4 O10",
"formula_reduced": "CrHg5S2O5",
"formula_anonymous": "AB2C5D5",
"energy_above_hull": 1.099829069230769,
"spacegroup": 2
},
{
"id": "jvasp-61613",
"created_at": "2022-09-04T14:35:59.232263Z",
"updated_at": "2022-09-04T14:35:59.232285Z",
"structure_string": "Sr10 Sn4 As12\n1.0\n4.295550 0.000000 0.000000\n0.000000 12.558507 -0.000000\n0.000000 0.000000 14.119599\nSr Sn As\n10 4 12\ndirect\n0.000000 0.121598 0.755709 Sr\n0.000000 0.878402 0.244291 Sr\n0.000000 0.378402 0.255709 Sr\n0.000000 0.621598 0.744291 Sr\n0.000000 0.368003 0.931403 Sr\n0.000000 0.631998 0.068597 Sr\n0.000000 0.131997 0.431403 Sr\n0.000000 0.868003 0.568597 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.787193 0.894883 Sn\n0.500000 0.212807 0.105117 Sn\n0.500000 0.287193 0.605117 Sn\n0.500000 0.712807 0.394883 Sn\n0.000000 0.129264 0.198197 As\n0.500000 0.075660 0.599157 As\n0.500000 0.924340 0.400843 As\n0.500000 0.424340 0.099157 As\n0.500000 0.575660 0.900843 As\n0.500000 0.168564 0.920135 As\n0.500000 0.831436 0.079865 As\n0.500000 0.331436 0.420135 As\n0.500000 0.668565 0.579865 As\n0.000000 0.370736 0.698197 As\n0.000000 0.629264 0.301803 As\n0.000000 0.870736 0.801803 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"As"
],
"chemical_system": "As-Sn-Sr",
"density": 4.9053681770994695,
"density_atomic": 0.03413455099937299,
"volume": 761.6915775595697,
"volume_molar": 17.642361137577637,
"formula_full": "Sr10 Sn4 As12",
"formula_reduced": "Sr5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.0518919576923074,
"spacegroup": 55
},
{
"id": "jvasp-50352",
"created_at": "2022-09-04T14:35:54.739386Z",
"updated_at": "2022-09-04T14:35:54.739412Z",
"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Sn",
"B",
"O"
],
"chemical_system": "B-Li-O-Sn",
"density": 3.1309471750489526,
"density_atomic": 0.0928141286489901,
"volume": 280.129764492304,
"volume_molar": 6.488387972455017,
"formula_full": "Li8 Sn2 B4 O12",
"formula_reduced": "Li4Sn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.3418744512820515,
"spacegroup": 58
},
{
"id": "jvasp-32216",
"created_at": "2022-09-04T14:36:02.911053Z",
"updated_at": "2022-09-04T14:36:02.911077Z",
"structure_string": "Zn2 H8 C4 O12\n1.0\n5.209607 -0.000000 1.793026\n2.559194 5.625834 1.029031\n0.075055 0.023285 8.246655\nZn H C O\n2 8 4 12\ndirect\n0.435761 0.749999 0.750000 Zn\n0.564239 0.250000 0.250000 Zn\n0.180377 0.190408 0.641564 H\n0.647772 0.311516 0.650719 H\n0.110008 0.188483 0.849281 H\n0.352228 0.688483 0.349281 H\n0.819623 0.809591 0.358436 H\n0.487648 0.690408 0.141564 H\n0.889992 0.811516 0.150719 H\n0.512351 0.309591 0.858436 H\n0.116993 0.248128 0.149717 C\n0.985163 0.748127 0.649717 C\n0.883007 0.751870 0.850283 C\n0.014836 0.251871 0.350283 C\n0.818767 0.746092 0.575962 O\n0.049377 0.752578 0.925191 O\n0.359176 0.246093 0.075962 O\n0.227148 0.747419 0.574809 O\n0.640823 0.753905 0.924038 O\n0.772852 0.252579 0.425191 O\n0.374660 0.625121 0.240082 O\n0.739863 0.874878 0.259918 O\n0.260136 0.125121 0.740082 O\n0.950623 0.247420 0.074809 O\n0.181232 0.253906 0.424038 O\n0.625340 0.374878 0.759918 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.611671627975519,
"density_atomic": 0.1079191693339313,
"volume": 240.92105378933115,
"volume_molar": 5.580232684488014,
"formula_full": "Zn2 H8 C4 O12",
"formula_reduced": "ZnH4(CO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 3.240247030769231,
"spacegroup": 15
},
{
"id": "jvasp-49954",
"created_at": "2022-09-04T14:36:08.903784Z",
"updated_at": "2022-09-04T14:36:08.903804Z",
"structure_string": "Ca2 As2 H10 O12\n1.0\n6.219237 -0.000000 0.039075\n-3.109618 8.637894 -0.019538\n-2.706029 0.000000 5.291554\nCa As H O\n2 2 10 12\ndirect\n0.224396 0.684516 0.222449 Ca\n0.539880 0.315483 0.722449 Ca\n0.509321 0.624744 0.909596 As\n0.884577 0.375255 0.409596 As\n0.923902 0.868399 0.230212 H\n0.237039 0.284184 0.221050 H\n0.702252 0.650996 0.323257 H\n0.221440 0.787363 0.710293 H\n0.051254 0.349003 0.823258 H\n0.055503 0.131601 0.730212 H\n0.434078 0.212636 0.210293 H\n0.173130 0.009525 0.266395 H\n-0.047145 0.715815 0.721050 H\n0.163604 -0.009525 0.766394 H\n0.896680 0.266170 0.697393 O\n0.775451 0.509605 0.460753 O\n0.323594 0.205069 0.297907 O\n0.630510 0.733830 0.197393 O\n0.437374 0.748530 0.663487 O\n0.188764 0.439878 0.438651 O\n0.265847 0.490395 0.960753 O\n0.097062 0.895331 0.243409 O\n0.118524 0.794930 0.797906 O\n0.748885 0.560121 0.938650 O\n0.201731 0.104668 0.743408 O\n0.688845 0.251470 0.163487 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"As",
"H",
"O"
],
"chemical_system": "As-Ca-H-O",
"density": 2.5158413761525047,
"density_atomic": 0.09117000649862846,
"volume": 285.1815086839019,
"volume_molar": 6.6053968747831515,
"formula_full": "Ca2 As2 H10 O12",
"formula_reduced": "CaAsH5O6",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 2.649421782307692,
"spacegroup": 9
},
{
"id": "jvasp-98995",
"created_at": "2022-09-04T14:36:05.930399Z",
"updated_at": "2022-09-04T14:36:05.930433Z",
"structure_string": "Ba2 Te2 Mo4 O18\n1.0\n5.541778 0.000000 -0.075016\n0.000000 7.525526 0.000000\n0.018482 0.000000 8.882739\nBa Te Mo O\n2 2 4 18\ndirect\n0.272148 0.747431 0.066626 Ba\n0.727852 0.247431 0.933374 Ba\n0.628462 0.510091 0.420249 Te\n0.371537 0.010090 0.579751 Te\n0.223942 0.272919 0.229590 Mo\n0.776058 0.772919 0.770409 Mo\n0.784625 0.951598 0.325575 Mo\n0.215375 0.451598 0.674425 Mo\n0.980328 0.935554 0.832176 O\n0.019671 0.435554 0.167823 O\n0.489639 0.890061 0.805326 O\n0.510361 0.390061 0.194673 O\n0.444020 0.089835 0.369580 O\n0.286986 0.466440 0.867641 O\n0.541309 0.729000 0.329393 O\n0.705042 0.929816 0.557986 O\n0.294957 0.429816 0.442014 O\n0.220260 0.121643 0.079651 O\n0.779740 0.621643 0.920349 O\n0.963858 0.156956 0.356269 O\n0.036142 0.656957 0.643731 O\n0.019514 0.798700 0.333789 O\n0.980486 0.298700 0.666210 O\n0.713014 0.966441 0.132358 O\n0.458691 0.229000 0.670607 O\n0.555980 0.589835 0.630419 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Te",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Te",
"density": 5.385983960914086,
"density_atomic": 0.07018240234615988,
"volume": 370.46323766120867,
"volume_molar": 8.580699090773583,
"formula_full": "Ba2 Te2 Mo4 O18",
"formula_reduced": "BaTeMo2O9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 3.077319002820513,
"spacegroup": 4
},
{
"id": "jvasp-40220",
"created_at": "2022-09-04T14:38:07.197767Z",
"updated_at": "2022-09-04T14:38:07.197791Z",
"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.887412 2.821750 3.276923\n-0.000000 -5.643497 3.276923\n4.887413 2.821748 3.276923\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.217369 0.780050 0.723768 H\n0.723768 0.217368 0.780051 H\n0.975820 0.708834 0.647431 H\n0.647431 0.975821 0.708834 H\n0.352568 0.024177 0.291165 H\n0.219948 0.276229 0.782632 H\n0.276230 0.782632 0.219948 H\n0.780050 0.723770 0.217367 H\n0.782629 0.219949 0.276230 H\n0.291165 0.352567 0.024178 H\n0.708832 0.647431 0.975822 H\n0.024178 0.291165 0.352567 H\n0.233883 0.229076 0.921135 O\n0.078864 0.766118 0.770924 O\n0.770924 0.078863 0.766119 O\n0.229075 0.921137 0.233881 O\n0.766118 0.770924 0.078863 O\n0.921136 0.233882 0.229076 O\n0.450495 0.766470 0.621802 F\n0.378197 0.549504 0.233529 F\n0.549504 0.233530 0.378196 F\n0.766470 0.621802 0.450494 F\n0.233529 0.378196 0.549504 F\n0.621802 0.450495 0.766470 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ti",
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O-Ti",
"density": 1.9896047695371035,
"density_atomic": 0.09588673640093225,
"volume": 271.15324784113955,
"volume_molar": 6.280473177040417,
"formula_full": "Ti1 Mn1 H12 O6 F6",
"formula_reduced": "TiMnH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.520584933450486,
"spacegroup": 148
},
{
"id": "jvasp-31829",
"created_at": "2022-09-04T14:38:01.345087Z",
"updated_at": "2022-09-04T14:38:01.345102Z",
"structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n6.471602 0.089035 -0.692306\n-0.779639 6.425085 -0.692307\n0.077798 0.089036 6.508062\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.347094 0.182599 0.695404 H\n0.695404 0.347093 0.182597 H\n0.182599 0.695404 0.347094 H\n0.304596 0.652907 0.817401 H\n0.817401 0.304595 0.652907 H\n0.687723 0.899162 0.545508 H\n0.454491 0.312277 0.100838 H\n0.100838 0.454490 0.312277 H\n0.312277 0.100839 0.454491 H\n0.545509 0.687725 0.899161 H\n0.899161 0.545511 0.687722 H\n0.652906 0.817403 0.304594 H\n0.602672 0.799330 0.440789 O\n0.559210 0.397328 0.200671 O\n0.397328 0.200672 0.559209 O\n0.440790 0.602672 0.799329 O\n0.200670 0.559211 0.397328 O\n0.799330 0.440791 0.602671 O\n0.865851 0.062814 0.726023 F\n0.062813 0.726023 0.865850 F\n0.726023 0.865850 0.062812 F\n0.134148 0.937187 0.273975 F\n0.273977 0.134149 0.937188 F\n0.937187 0.273977 0.134148 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Co",
"Sn",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-Sn",
"density": 2.4416470656913845,
"density_atomic": 0.09564130814111793,
"volume": 271.8490629763995,
"volume_molar": 6.296589702761471,
"formula_full": "Co1 Sn1 H12 O6 F6",
"formula_reduced": "CoSnH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.3152767421153846,
"spacegroup": 148
},
{
"id": "jvasp-54756",
"created_at": "2022-09-04T14:38:09.429597Z",
"updated_at": "2022-09-04T14:38:09.429622Z",
"structure_string": "Ta4 H8 O14\n1.0\n4.776801 5.603597 0.000000\n0.000000 5.603597 5.721507\n4.776801 0.000000 5.721507\nTa H O\n4 8 14\ndirect\n0.459562 0.972971 0.494916 Ta\n0.427449 0.505084 0.027030 Ta\n0.972970 0.459563 0.572551 Ta\n0.505084 0.427449 0.540438 Ta\n0.270250 0.270251 -0.020250 H\n0.020250 0.020251 0.729750 H\n0.245202 0.039323 0.207242 H\n0.039323 0.245203 0.008232 H\n0.792758 0.991769 0.754797 H\n0.991768 0.792759 -0.039324 H\n0.637470 0.637470 0.112530 H\n0.887470 0.887470 0.362530 H\n0.762905 0.473112 0.470442 O\n0.375864 0.866394 0.392575 O\n0.866393 0.375864 0.865169 O\n0.420547 0.420548 0.829453 O\n0.800476 0.800477 0.449524 O\n0.473111 0.762905 0.793542 O\n0.529558 0.206459 0.237095 O\n0.134831 0.607425 0.133607 O\n0.550476 0.550476 0.199524 O\n0.170547 0.170547 0.579453 O\n0.206458 0.529559 0.526889 O\n0.929962 0.929963 0.820038 O\n0.607425 0.134832 0.624136 O\n0.179962 0.179962 0.070038 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"H",
"O"
],
"chemical_system": "H-O-Ta",
"density": 5.181945521118764,
"density_atomic": 0.08488459394385049,
"volume": 306.2982196415818,
"volume_molar": 7.094503820073085,
"formula_full": "Ta4 H8 O14",
"formula_reduced": "Ta2H4O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 3.6832425307692302,
"spacegroup": 43
},
{
"id": "jvasp-44526",
"created_at": "2022-09-04T14:38:07.213347Z",
"updated_at": "2022-09-04T14:38:07.213369Z",
"structure_string": "Na6 Cu2 C2 S2 O14\n1.0\n0.000000 5.140472 -0.080951\n6.970256 0.000000 0.000000\n0.000000 0.123372 -8.953337\nNa Cu C S O\n6 2 2 2 14\ndirect\n0.268378 0.750000 0.077762 Na\n0.769933 0.009682 0.259345 Na\n0.769933 0.490319 0.259345 Na\n0.230066 0.509682 0.740655 Na\n0.230066 0.990319 0.740655 Na\n0.731621 0.250000 0.922238 Na\n0.307594 0.250000 0.366610 Cu\n0.692406 0.750000 0.633390 Cu\n0.766724 0.750000 0.939123 C\n0.233275 0.250000 0.060877 C\n0.280548 0.750000 0.403544 S\n0.719451 0.250000 0.596456 S\n0.567804 0.750000 0.850823 O\n0.789985 0.078369 0.684991 O\n0.789985 0.421631 0.684991 O\n0.426678 0.250000 0.578404 O\n0.151574 0.750000 0.553098 O\n0.848425 0.250000 0.446902 O\n0.723399 0.750000 0.083326 O\n0.210014 0.578370 0.315009 O\n0.210014 0.921631 0.315009 O\n0.432195 0.250000 0.149177 O\n-0.000645 0.250000 0.116007 O\n0.000644 0.750000 0.883993 O\n0.573321 0.750000 0.421596 O\n0.276600 0.250000 0.916674 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Cu",
"C",
"S",
"O"
],
"chemical_system": "C-Cu-Na-O-S",
"density": 2.9882240679542647,
"density_atomic": 0.08106454321566685,
"volume": 320.7320854301087,
"volume_molar": 7.428822171955616,
"formula_full": "Na6 Cu2 C2 S2 O14",
"formula_reduced": "Na3CuCSO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.9794301499999996,
"spacegroup": 11
},
{
"id": "jvasp-46753",
"created_at": "2022-09-04T14:38:01.738129Z",
"updated_at": "2022-09-04T14:38:01.738158Z",
"structure_string": "Li6 V1 Cr1 P2 C2 O14\n1.0\n0.000000 4.920043 0.064383\n6.416994 0.000000 0.000000\n0.000000 -0.792397 -8.556945\nLi V Cr P C O\n6 1 1 2 2 14\ndirect\n0.806239 0.000000 0.896359 Li\n0.278073 0.765988 0.727676 Li\n0.278073 0.234011 0.727676 Li\n0.723815 0.271867 0.271909 Li\n0.723815 0.728132 0.271909 Li\n0.197961 0.500000 0.113950 Li\n0.205288 0.000000 0.326984 V\n0.802542 0.500000 0.667697 Cr\n0.259893 0.500000 0.406131 P\n0.731913 0.000000 0.589769 P\n0.677135 0.500000 0.962578 C\n0.332964 0.000000 0.040657 C\n0.514281 0.000000 0.163292 O\n0.141080 0.314300 0.304882 O\n0.141080 0.685699 0.304882 O\n0.832409 0.000000 0.427387 O\n0.575471 0.500000 0.416042 O\n0.413022 0.000000 0.570603 O\n0.934076 0.500000 0.951370 O\n0.842783 0.187347 0.694201 O\n0.842783 0.812653 0.694201 O\n0.511775 0.500000 0.831218 O\n0.404200 0.000000 0.900014 O\n0.579584 0.500000 0.096511 O\n0.169960 0.500000 0.572940 O\n0.079771 0.000000 0.069159 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"V",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P-V",
"density": 2.7972576152141015,
"density_atomic": 0.09635642254440177,
"volume": 269.8315204471088,
"volume_molar": 6.2498592216050275,
"formula_full": "Li6 V1 Cr1 P2 C2 O14",
"formula_reduced": "Li6VCrP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.122210830769231,
"spacegroup": 6
}
]
}