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=211",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=209",
"results": [
{
"id": "jvasp-98041",
"created_at": "2022-09-04T14:38:12.093401Z",
"updated_at": "2022-09-04T14:38:12.093431Z",
"structure_string": "Ca4 V8 O16\n1.0\n2.971468 -0.000000 0.000000\n0.000000 9.261880 0.000000\n0.000000 0.000000 10.758675\nCa V O\n4 8 16\ndirect\n0.250000 0.242010 0.345057 Ca\n0.250000 0.742010 0.154943 Ca\n0.750000 0.257990 0.845057 Ca\n0.750000 0.757990 0.654943 Ca\n0.250000 0.583470 0.894692 V\n0.750000 0.416530 0.105308 V\n0.750000 0.936446 0.886524 V\n0.750000 0.916530 0.394692 V\n0.250000 0.563554 0.386524 V\n0.750000 0.436446 0.613476 V\n0.250000 0.063554 0.113476 V\n0.250000 0.083470 0.605308 V\n0.750000 0.523811 0.783331 O\n0.250000 0.083231 0.926894 O\n0.750000 0.916769 0.073107 O\n0.250000 0.976189 0.283330 O\n0.750000 0.023811 0.716670 O\n0.250000 0.476189 0.216670 O\n0.250000 0.883050 0.523645 O\n0.250000 0.293259 0.664664 O\n0.250000 0.383050 0.976356 O\n0.750000 0.616950 0.023644 O\n0.250000 0.793259 0.835337 O\n0.750000 0.206741 0.164664 O\n0.750000 0.416769 0.426894 O\n0.750000 0.706741 0.335336 O\n0.750000 0.116950 0.476356 O\n0.250000 0.583231 0.573107 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.620192001122543,
"density_atomic": 0.09456469700716966,
"volume": 296.0935834001256,
"volume_molar": 6.368275847744128,
"formula_full": "Ca4 V8 O16",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.52843326,
"spacegroup": 62
},
{
"id": "jvasp-40701",
"created_at": "2022-09-04T14:38:05.139484Z",
"updated_at": "2022-09-04T14:38:05.139509Z",
"structure_string": "Li12 Co4 O12\n1.0\n8.563466 -0.000000 0.000000\n-0.000000 8.563466 0.000000\n0.000000 0.000000 3.652422\nLi Co O\n12 4 12\ndirect\n0.365570 0.105257 0.500000 Li\n0.605257 0.134430 0.000000 Li\n0.161424 0.161424 0.000000 Li\n0.661424 0.338576 0.500000 Li\n0.105257 0.365570 0.500000 Li\n0.865570 0.394743 0.000000 Li\n0.134430 0.605257 0.000000 Li\n0.894744 0.634430 0.500000 Li\n0.338576 0.661424 0.500000 Li\n0.838576 0.838576 0.000000 Li\n0.394743 0.865570 0.000000 Li\n0.634430 0.894744 0.500000 Li\n0.118005 0.881996 0.500000 Co\n0.618005 0.618005 0.000000 Co\n0.381996 0.381996 0.000000 Co\n0.881996 0.118005 0.500000 Co\n0.100498 0.100498 0.500000 O\n0.671285 0.112935 0.500000 O\n0.387065 0.171285 0.000000 O\n0.887065 0.328715 0.500000 O\n0.171285 0.387065 0.000000 O\n0.600498 0.399502 0.000000 O\n0.399502 0.600498 0.000000 O\n0.828716 0.612935 0.000000 O\n0.112935 0.671285 0.500000 O\n0.612935 0.828716 0.000000 O\n0.328715 0.887065 0.500000 O\n0.899503 0.899503 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.1681434144680627,
"density_atomic": 0.10453889995307711,
"volume": 267.8428796607575,
"volume_molar": 5.760669724574366,
"formula_full": "Li12 Co4 O12",
"formula_reduced": "Li3CoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.800563057142857,
"spacegroup": 136
},
{
"id": "jvasp-46948",
"created_at": "2022-09-04T14:38:08.336844Z",
"updated_at": "2022-09-04T14:38:08.336866Z",
"structure_string": "Na8 Ni6 O14\n1.0\n-4.488680 -0.863847 -5.195271\n1.496226 4.319234 -5.195271\n2.992454 -3.455387 -5.195271\nNa Ni O\n8 6 14\ndirect\n0.914156 0.358768 0.211285 Na\n0.787340 0.068426 0.628442 Na\n0.645858 0.800130 0.069804 Na\n0.571429 0.142856 0.285714 Na\n0.496998 0.485583 0.501626 Na\n0.355517 0.217287 0.942988 Na\n0.228701 0.926945 0.360146 Na\n0.071429 0.642856 0.785714 Na\n0.140828 0.286196 0.574733 Ni\n0.282410 0.573458 0.142375 Ni\n0.428088 0.853838 0.716316 Ni\n0.714769 0.431875 0.855113 Ni\n0.860447 0.712255 0.429054 Ni\n0.002030 0.999516 0.996697 Ni\n0.154548 0.593602 0.446950 O\n0.410193 0.559737 0.834969 O\n0.424537 0.152169 0.623282 O\n0.732664 0.725974 0.736461 O\n0.299218 0.870646 0.013504 O\n0.233861 0.289749 0.276402 O\n0.718321 0.133544 0.948147 O\n0.580741 0.480425 0.138823 O\n0.843639 0.415067 0.557925 O\n0.908996 0.995965 0.295028 O\n0.988310 0.692111 0.124480 O\n0.120683 0.981621 0.702596 O\n0.562116 0.805289 0.432607 O\n0.022174 0.304092 0.868833 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.475186652802962,
"density_atomic": 0.09928106065787927,
"volume": 282.0276074254232,
"volume_molar": 6.0657498218639985,
"formula_full": "Na8 Ni6 O14",
"formula_reduced": "Na4Ni3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 1.4196305500000002,
"spacegroup": 148
},
{
"id": "jvasp-5470",
"created_at": "2022-09-04T14:38:08.716787Z",
"updated_at": "2022-09-04T14:38:08.716819Z",
"structure_string": "Au4 S4 Cl20\n1.0\n0.000000 8.023561 -0.072071\n8.070099 0.000000 0.000000\n0.000000 -5.711018 -11.565242\nAu S Cl\n4 4 20\ndirect\n0.910597 0.677447 0.341492 Au\n0.089402 0.177447 0.158508 Au\n0.089402 0.322553 0.658508 Au\n0.910597 0.822553 0.841491 Au\n0.762686 0.773645 0.963066 S\n0.762686 0.726355 0.463066 S\n0.237314 0.226355 0.036934 S\n0.237313 0.273645 0.536933 S\n0.076947 0.629241 0.235109 Cl\n0.643429 0.784737 0.675549 Cl\n0.356570 0.284737 0.824451 Cl\n0.248325 0.022022 0.544566 Cl\n0.643429 0.715263 0.175549 Cl\n0.751674 0.522022 0.955433 Cl\n0.923052 0.129241 0.264890 Cl\n0.356570 0.215263 0.324451 Cl\n0.923052 0.370759 0.764890 Cl\n0.820455 0.349871 0.485873 Cl\n0.179544 0.650129 0.514127 Cl\n0.820455 0.150129 0.985873 Cl\n0.248325 0.477978 0.044566 Cl\n0.179544 0.849871 0.014127 Cl\n0.508374 0.167132 0.123666 Cl\n0.508374 0.332868 0.623666 Cl\n0.491625 0.832868 0.876334 Cl\n0.491626 0.667132 0.376334 Cl\n0.076947 0.870759 0.735109 Cl\n0.751675 0.977978 0.455433 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Au",
"S",
"Cl"
],
"chemical_system": "Au-Cl-S",
"density": 3.5878097163401836,
"density_atomic": 0.03722504138978849,
"volume": 752.181836597794,
"volume_molar": 16.177660346811553,
"formula_full": "Au4 S4 Cl20",
"formula_reduced": "AuSCl5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.4250497010714283,
"spacegroup": 14
},
{
"id": "jvasp-14120",
"created_at": "2022-09-04T14:38:05.651130Z",
"updated_at": "2022-09-04T14:38:05.651154Z",
"structure_string": "Zn4 P6 S18\n1.0\n6.520436 0.019082 0.550504\n0.471318 9.225232 5.163410\n0.040773 0.011981 10.582346\nZn P S\n4 6 18\ndirect\n0.323000 0.951646 0.300550 Zn\n0.677001 0.048354 0.699450 Zn\n0.322999 0.300550 0.951646 Zn\n0.677001 0.699450 0.048354 Zn\n0.289967 0.623857 0.623857 P\n0.375461 0.281382 0.281382 P\n0.624540 0.718618 0.718618 P\n0.651842 0.024247 0.024247 P\n0.348158 0.975752 0.975753 P\n0.710034 0.376143 0.376143 P\n0.705814 0.258685 0.258685 S\n0.294186 0.741315 0.741315 S\n0.327293 0.757462 0.081190 S\n0.844473 0.566745 0.267078 S\n0.155528 0.732921 0.433255 S\n0.155527 0.433255 0.732922 S\n0.844473 0.267078 0.566745 S\n0.755785 0.907786 0.584232 S\n0.755785 0.584232 0.907786 S\n0.244215 0.092214 0.415768 S\n0.327293 0.081190 0.757463 S\n0.846934 0.926616 0.926617 S\n0.672707 0.918809 0.242538 S\n0.380572 0.397825 0.397825 S\n0.619429 0.602175 0.602175 S\n0.153066 0.073384 0.073384 S\n0.244215 0.415768 0.092214 S\n0.672707 0.242537 0.918810 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"P",
"S"
],
"chemical_system": "P-S-Zn",
"density": 2.6758696664350365,
"density_atomic": 0.044035096374792575,
"volume": 635.8564487218496,
"volume_molar": 13.675775133416785,
"formula_full": "Zn4 P6 S18",
"formula_reduced": "Zn2(PS3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 1.98702195,
"spacegroup": 12
},
{
"id": "jvasp-59044",
"created_at": "2022-09-04T14:38:18.226974Z",
"updated_at": "2022-09-04T14:38:18.226999Z",
"structure_string": "Ca4 Nb8 O16\n1.0\n5.114132 -0.000000 0.000000\n-0.000000 5.907895 0.000000\n0.000000 0.000000 11.958302\nCa Nb O\n4 8 16\ndirect\n0.309460 0.250000 0.996197 Ca\n0.309460 0.749999 0.503802 Ca\n0.690540 0.749999 0.003802 Ca\n0.690540 0.250000 0.496197 Ca\n0.844185 0.000000 0.250000 Nb\n0.155815 0.500000 0.750000 Nb\n0.844185 0.500000 0.250000 Nb\n0.155815 0.000000 0.750000 Nb\n0.659209 0.250000 0.753877 Nb\n0.340791 0.250000 0.253877 Nb\n0.340791 0.749999 0.246123 Nb\n0.659209 0.749999 0.746123 Nb\n0.006401 0.749999 0.138813 O\n0.014155 0.250000 0.142382 O\n0.014155 0.749999 0.357618 O\n0.993599 0.749999 0.638813 O\n0.993599 0.250000 0.861186 O\n0.006401 0.250000 0.361187 O\n0.507787 0.995358 0.363177 O\n0.507787 0.504641 0.363177 O\n0.492212 0.495359 0.636823 O\n0.492212 0.504641 0.863177 O\n0.492212 0.004641 0.636823 O\n0.492212 0.995358 0.863177 O\n0.985845 0.250000 0.642382 O\n0.507787 0.495359 0.136823 O\n0.507787 0.004641 0.136823 O\n0.985845 0.749999 0.857618 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O",
"density": 5.329244524034999,
"density_atomic": 0.07749680765209802,
"volume": 361.30520531502145,
"volume_molar": 7.770824299027711,
"formula_full": "Ca4 Nb8 O16",
"formula_reduced": "CaNb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.884529031428571,
"spacegroup": 57
},
{
"id": "jvasp-51647",
"created_at": "2022-09-04T14:38:16.969529Z",
"updated_at": "2022-09-04T14:38:16.969557Z",
"structure_string": "U4 Al18 Co6\n1.0\n7.425127 0.005137 -0.000000\n-3.624554 6.480366 0.000000\n0.000000 -0.000000 9.259300\nU Al Co\n4 18 6\ndirect\n0.994990 0.673614 0.250000 U\n0.005012 0.326387 0.750000 U\n0.673614 0.994990 0.250000 U\n0.326387 0.005012 0.750000 U\n0.872968 0.872968 0.750000 Al\n0.445256 0.659376 0.750000 Al\n0.666364 0.666363 0.452375 Al\n0.333638 0.333638 0.547625 Al\n0.336502 0.999559 0.071883 Al\n0.554745 0.340626 0.250000 Al\n0.127033 0.127033 0.250000 Al\n0.000442 0.663499 0.928117 Al\n0.663499 0.000442 0.571883 Al\n0.999559 0.336502 0.071883 Al\n0.666364 0.666363 0.047625 Al\n0.340626 0.554745 0.250000 Al\n0.000442 0.663499 0.571883 Al\n0.659376 0.445256 0.750000 Al\n0.663499 0.000442 0.928117 Al\n0.999559 0.336502 0.428117 Al\n0.333638 0.333638 0.952375 Al\n0.336502 0.999559 0.428117 Al\n0.328410 0.671592 0.500000 Co\n0.671592 0.328410 0.500000 Co\n0.671592 0.328410 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.328410 0.671592 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 28,
"nelements": 3,
"elements": [
"U",
"Al",
"Co"
],
"chemical_system": "Al-Co-U",
"density": 6.674025004966395,
"density_atomic": 0.06282151923512469,
"volume": 445.7071452729955,
"volume_molar": 9.586111309184812,
"formula_full": "U4 Al18 Co6",
"formula_reduced": "U2(Al3Co)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 3.24189285,
"spacegroup": 63
},
{
"id": "jvasp-30774",
"created_at": "2022-09-04T14:38:04.765085Z",
"updated_at": "2022-09-04T14:38:04.765106Z",
"structure_string": "Bi4 Sb4 O20\n1.0\n5.303690 0.470494 0.000000\n-1.591083 7.811102 0.000000\n0.000000 0.000000 9.969054\nBi Sb O\n4 4 20\ndirect\n0.159728 0.118214 0.108788 Bi\n0.840273 0.881785 0.891211 Bi\n0.659728 0.618214 0.391212 Bi\n0.340273 0.381785 0.608788 Bi\n0.745085 0.987252 0.590381 Sb\n0.254915 0.012747 0.409619 Sb\n0.754915 0.512747 0.090381 Sb\n0.245085 0.487252 0.909618 Sb\n0.585614 0.630448 0.930896 O\n0.914386 0.869551 0.430897 O\n0.661172 0.061371 0.770776 O\n0.056248 0.661912 0.008148 O\n0.220389 0.004475 0.922586 O\n0.395037 0.303904 0.807209 O\n0.161172 0.561371 0.729224 O\n0.779611 0.995524 0.077414 O\n0.085614 0.130448 0.569103 O\n0.338828 -0.061372 0.229224 O\n0.556248 0.161911 0.491852 O\n0.443753 0.838088 0.508148 O\n-0.104963 0.803904 0.692790 O\n0.838828 0.438628 0.270776 O\n0.720389 0.504475 0.577414 O\n0.604963 0.696096 0.192790 O\n0.943752 0.338088 -0.008148 O\n0.414386 0.369551 0.069103 O\n0.279611 0.495524 0.422586 O\n0.104963 0.196096 0.307209 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb",
"density": 6.488605029526071,
"density_atomic": 0.06659414259852518,
"volume": 420.45739921607003,
"volume_molar": 9.043048720223883,
"formula_full": "Bi4 Sb4 O20",
"formula_reduced": "BiSbO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.243595414285714,
"spacegroup": 14
},
{
"id": "jvasp-52414",
"created_at": "2022-09-04T14:38:17.103490Z",
"updated_at": "2022-09-04T14:38:17.103506Z",
"structure_string": "Hf12 Zn12 N4\n1.0\n6.007192 6.007192 -0.000000\n-0.000000 6.007192 6.007192\n6.007192 -0.000000 6.007192\nHf Zn N\n12 12 4\ndirect\n0.565221 0.934778 0.934778 Hf\n0.315221 0.684778 0.315221 Hf\n0.315221 0.315221 0.684778 Hf\n0.315221 0.684778 0.684778 Hf\n0.684778 0.684778 0.315221 Hf\n0.684778 0.315221 0.315221 Hf\n0.684778 0.315221 0.684778 Hf\n0.934778 0.934778 0.565221 Hf\n0.934778 0.565221 0.565221 Hf\n0.565221 0.934778 0.565221 Hf\n0.565221 0.565221 0.934778 Hf\n0.934778 0.565221 0.934778 Hf\n0.917130 0.917130 0.917130 Zn\n0.125000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.917130 0.248610 0.917130 Zn\n0.332870 0.332870 0.001390 Zn\n0.248610 0.917130 0.917130 Zn\n0.332870 0.332870 0.332870 Zn\n0.332870 0.001390 0.332870 Zn\n0.001390 0.332870 0.332870 Zn\n0.917130 0.917130 0.248610 Zn\n0.625000 0.125000 0.625000 N\n0.125000 0.625000 0.625000 N\n0.625000 0.625000 0.125000 N\n0.625000 0.625000 0.625000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"N"
],
"chemical_system": "Hf-N-Zn",
"density": 11.424332964719893,
"density_atomic": 0.06458229838272053,
"volume": 433.55533483911444,
"volume_molar": 9.324754477321711,
"formula_full": "Hf12 Zn12 N4",
"formula_reduced": "Hf3Zn3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.641124778571429,
"spacegroup": 227
},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.077931083488122,
"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
"volume_molar": 5.334881982679732,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-54931",
"created_at": "2022-09-04T14:38:13.473056Z",
"updated_at": "2022-09-04T14:38:13.473065Z",
"structure_string": "K8 Co4 Cl16\n1.0\n0.000000 6.655880 -0.037461\n9.554002 0.000000 0.000000\n0.000000 -3.572107 -12.007060\nK Co Cl\n8 4 16\ndirect\n0.780418 0.353649 0.008650 K\n0.219582 0.646351 0.991350 K\n0.401883 0.405054 0.665967 K\n0.598116 0.905054 0.834033 K\n0.219582 0.853649 0.491350 K\n0.401883 0.094946 0.165967 K\n0.598117 0.594946 0.334033 K\n0.780417 0.146351 0.508650 K\n0.879925 0.647351 0.680131 Co\n0.120075 0.352649 0.319868 Co\n0.879925 0.852648 0.180131 Co\n0.120074 0.147351 0.819869 Co\n0.204278 0.539242 0.432917 Cl\n0.222527 0.401965 0.165855 Cl\n0.225777 0.690811 0.722332 Cl\n0.700131 0.659937 0.100671 Cl\n0.299868 0.159937 0.399329 Cl\n0.777472 0.901965 0.334145 Cl\n0.225777 0.809189 0.222332 Cl\n0.204277 0.960758 0.932917 Cl\n0.700131 0.840063 0.600671 Cl\n0.774223 0.190811 0.777668 Cl\n0.774223 0.309189 0.277668 Cl\n0.222527 0.098035 0.665855 Cl\n0.777472 0.598035 0.834145 Cl\n0.795722 0.039242 0.067083 Cl\n0.299868 0.340063 0.899329 Cl\n0.795722 0.460758 0.567083 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-K",
"density": 2.422526906333583,
"density_atomic": 0.03661035672660249,
"volume": 764.8109033489457,
"volume_molar": 16.449281838393237,
"formula_full": "K8 Co4 Cl16",
"formula_reduced": "K2CoCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0895433099999998,
"spacegroup": 14
},
{
"id": "jvasp-46789",
"created_at": "2022-09-04T14:38:05.756115Z",
"updated_at": "2022-09-04T14:38:05.756133Z",
"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 2.851413905537781,
"density_atomic": 0.08440300194098667,
"volume": 331.74175510460145,
"volume_molar": 7.134984090033424,
"formula_full": "Li4 Si6 Ni2 O16",
"formula_reduced": "Li2Si3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.573752585714286,
"spacegroup": 4
}
]
}