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=volume&page=4449",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4447",
"results": [
{
"id": "jvasp-122127",
"created_at": "2022-09-04T14:38:55.413561Z",
"updated_at": "2022-09-04T14:38:55.413588Z",
"structure_string": "Ho6 Co16 Sn8\n1.0\n7.414499 -0.000000 0.000000\n0.000000 7.640574 -4.411288\n-0.000000 -0.000000 8.822575\nHo Co Sn\n6 16 8\ndirect\n0.785321 0.469953 0.939906 Ho\n0.785321 0.469953 0.530047 Ho\n0.285321 0.530047 0.060094 Ho\n0.785321 0.060094 0.530047 Ho\n0.285321 0.530047 0.469953 Ho\n0.285321 0.939906 0.469953 Ho\n0.506653 -0.000000 -0.000000 Co\n0.006653 -0.000000 -0.000000 Co\n0.451350 0.680419 0.840210 Co\n0.451350 0.159790 0.840210 Co\n0.951350 0.319580 0.159790 Co\n0.451350 0.159790 0.319580 Co\n0.951350 0.840209 0.159790 Co\n0.951350 0.840209 0.680420 Co\n0.261823 0.901506 0.098493 Co\n0.761823 0.803013 0.901507 Co\n0.261823 0.901506 0.803014 Co\n0.761823 0.098493 0.901507 Co\n0.761823 0.098493 0.196986 Co\n0.064971 0.333333 0.666667 Co\n0.564971 0.666666 0.333333 Co\n0.261823 0.196986 0.098493 Co\n0.082080 0.171356 0.828644 Sn\n0.951754 0.666666 0.333333 Sn\n0.451753 0.333333 0.666667 Sn\n0.582080 0.828643 0.657288 Sn\n0.582080 0.828643 0.171356 Sn\n0.082080 0.171356 0.342712 Sn\n0.582080 0.342712 0.171356 Sn\n0.082080 0.657287 0.828644 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Sn"
],
"chemical_system": "Co-Ho-Sn",
"density": 9.575666373759931,
"density_atomic": 0.060023055353893885,
"volume": 499.80794584882466,
"volume_molar": 10.033046009560266,
"formula_full": "Ho6 Co16 Sn8",
"formula_reduced": "Ho3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": null,
"spacegroup": 186
},
{
"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
},
{
"id": "jvasp-97657",
"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"V",
"P",
"O"
],
"chemical_system": "O-P-Rb-V",
"density": 3.287355634569377,
"density_atomic": 0.06402106364221802,
"volume": 499.8354944371454,
"volume_molar": 9.406499076077145,
"formula_full": "Rb4 V4 P4 O20",
"formula_reduced": "RbVPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3794208999999995,
"spacegroup": 19
},
{
"id": "jvasp-32340",
"created_at": "2022-09-04T14:38:06.891338Z",
"updated_at": "2022-09-04T14:38:06.891363Z",
"structure_string": "V4 Cl12 O4\n1.0\n4.891052 0.000000 0.000000\n-0.000000 9.116661 0.000000\n0.000000 0.000000 11.210135\nV Cl O\n4 12 4\ndirect\n0.136223 0.250000 0.046429 V\n0.863778 0.750000 0.953571 V\n0.363776 0.750000 0.546429 V\n0.636224 0.250000 0.453571 V\n0.726391 0.554555 0.865447 Cl\n0.273608 0.445446 0.134553 Cl\n0.226391 0.554555 0.634552 Cl\n0.726391 0.945445 0.865447 Cl\n0.226391 0.945445 0.634552 Cl\n0.773609 0.054555 0.365447 Cl\n0.773609 0.445446 0.365447 Cl\n0.255102 0.250000 0.862070 Cl\n0.744897 0.750000 0.137930 Cl\n0.755102 0.250000 0.637930 Cl\n0.244898 0.750000 0.362070 Cl\n0.273608 0.054555 0.134553 Cl\n0.809085 0.250000 0.051262 O\n0.309087 0.250000 0.448737 O\n0.190912 0.750000 0.948738 O\n0.690913 0.750000 0.551262 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cl",
"O"
],
"chemical_system": "Cl-O-V",
"density": 2.3028119373414904,
"density_atomic": 0.04001115302222098,
"volume": 499.8606260832475,
"volume_molar": 15.05115525327522,
"formula_full": "V4 Cl12 O4",
"formula_reduced": "VCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2113879805,
"spacegroup": 62
},
{
"id": "jvasp-38174",
"created_at": "2022-09-04T14:37:45.145386Z",
"updated_at": "2022-09-04T14:37:45.145414Z",
"structure_string": "Rb6 Er2\n1.0\n4.450903 -7.709189 0.000000\n4.450903 7.709189 0.000000\n-0.000000 -0.000000 7.284107\nRb Er\n6 2\ndirect\n0.172673 0.827327 0.750000 Rb\n0.654653 0.827326 0.750000 Rb\n0.172673 0.345346 0.750000 Rb\n0.827327 0.172673 0.250000 Rb\n0.345346 0.172673 0.250000 Rb\n0.827326 0.654653 0.250000 Rb\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Er"
],
"chemical_system": "Er-Rb",
"density": 2.8147244143843024,
"density_atomic": 0.016003937691792924,
"volume": 499.87697740803674,
"volume_molar": 37.62911900793171,
"formula_full": "Rb6 Er2",
"formula_reduced": "Rb3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-5053",
"created_at": "2022-09-04T14:38:06.448185Z",
"updated_at": "2022-09-04T14:38:06.448204Z",
"structure_string": "In2 Ag2 P4 Se12\n1.0\n3.281798 -5.684242 0.000000\n3.281798 5.684242 0.000000\n0.000000 0.000000 13.398578\nIn Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 In\n0.000000 0.000000 0.250000 In\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.335791 P\n0.666667 0.333333 0.164209 P\n0.333333 0.666667 0.664209 P\n0.333333 0.666667 0.835791 P\n0.014466 0.677123 0.616291 Se\n0.662657 0.985534 0.616291 Se\n0.322878 0.337344 0.616291 Se\n0.322878 0.985534 0.883709 Se\n0.014466 0.337344 0.883709 Se\n0.677123 0.662657 0.383709 Se\n0.985534 0.322878 0.383709 Se\n0.337344 0.014466 0.383709 Se\n0.337344 0.322878 0.116291 Se\n0.677123 0.014466 0.116291 Se\n0.662657 0.677123 0.883709 Se\n0.985534 0.662657 0.116291 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-In-P-Se",
"density": 5.0384936292252025,
"density_atomic": 0.04000892531653274,
"volume": 499.8884584319358,
"volume_molar": 15.051993304882632,
"formula_full": "In2 Ag2 P4 Se12",
"formula_reduced": "InAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.601155843,
"spacegroup": 163
},
{
"id": "jvasp-55540",
"created_at": "2022-09-04T14:37:10.604000Z",
"updated_at": "2022-09-04T14:37:10.604023Z",
"structure_string": "In2 Ag2 P4 Se12\n1.0\n3.281798 -5.684242 0.000000\n3.281798 5.684242 0.000000\n0.000000 0.000000 13.398578\nIn Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 In\n0.000000 0.000000 0.250000 In\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.335791 P\n0.666667 0.333333 0.164209 P\n0.333333 0.666667 0.664209 P\n0.333333 0.666667 0.835791 P\n0.014466 0.677123 0.616291 Se\n0.662657 0.985534 0.616291 Se\n0.322878 0.337344 0.616291 Se\n0.322878 0.985534 0.883709 Se\n0.014466 0.337344 0.883709 Se\n0.677123 0.662657 0.383709 Se\n0.985534 0.322878 0.383709 Se\n0.337344 0.014466 0.383709 Se\n0.337344 0.322878 0.116291 Se\n0.677123 0.014466 0.116291 Se\n0.662657 0.677123 0.883709 Se\n0.985534 0.662657 0.116291 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-In-P-Se",
"density": 5.0384936292252025,
"density_atomic": 0.04000892531653274,
"volume": 499.8884584319358,
"volume_molar": 15.051993304882632,
"formula_full": "In2 Ag2 P4 Se12",
"formula_reduced": "InAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.601155843,
"spacegroup": 163
},
{
"id": "jvasp-112223",
"created_at": "2022-09-04T14:38:42.169614Z",
"updated_at": "2022-09-04T14:38:42.169623Z",
"structure_string": "H22 C30\n1.0\n5.950730 0.031227 -0.317294\n-0.500959 7.932690 -2.347649\n0.111667 0.216127 10.518410\nH C\n22 30\ndirect\n0.813405 0.268505 0.046724 H\n0.250759 0.770632 0.230721 H\n0.749241 0.229369 0.769280 H\n0.171583 0.562227 0.357921 H\n0.828418 0.437774 0.642079 H\n0.214427 0.570233 0.653432 H\n0.481954 0.505501 0.206607 H\n0.518046 0.494500 0.793394 H\n0.559575 0.717311 0.084053 H\n0.440426 0.282690 0.915948 H\n0.432134 0.155178 0.088260 H\n0.785574 0.429768 0.346569 H\n0.179463 0.254573 0.269381 H\n0.820538 0.745428 0.730620 H\n0.295444 0.247684 0.498962 H\n0.704556 0.752317 0.501039 H\n0.665656 0.138641 0.542279 H\n0.334345 0.861360 0.457722 H\n0.917718 0.037644 0.360923 H\n0.082283 0.962357 0.639078 H\n0.186595 0.731496 0.953277 H\n0.567866 0.844823 0.911740 H\n0.515880 0.848162 0.812081 C\n0.484120 0.151839 0.187919 C\n0.089067 0.241624 0.850633 C\n0.910933 0.758377 0.149368 C\n0.305708 0.317157 0.856344 C\n0.694292 0.682844 0.143657 C\n0.962313 0.405641 0.703456 C\n0.650239 0.564379 0.213129 C\n0.178623 0.479165 0.709009 C\n0.821378 0.520835 0.290991 C\n0.037687 0.594360 0.296545 C\n0.341497 0.208210 0.290392 C\n0.349761 0.435622 0.786871 C\n0.658503 0.791791 0.709609 C\n0.957510 0.886116 0.076435 C\n0.593831 0.795707 0.581515 C\n0.614264 0.142904 0.442882 C\n0.385736 0.857097 0.557118 C\n0.755553 0.084517 0.340396 C\n0.244448 0.915484 0.659604 C\n0.692492 0.088872 0.211010 C\n0.307509 0.911129 0.788991 C\n0.108774 0.851986 0.975878 C\n0.891227 0.148015 0.024122 C\n0.917382 0.288814 0.774838 C\n0.042490 0.113885 0.923565 C\n0.846650 0.037966 0.102032 C\n0.153350 0.962035 0.897969 C\n0.406169 0.204294 0.418485 C\n0.082619 0.711187 0.225162 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2702579469378514,
"density_atomic": 0.10399671764967897,
"volume": 500.0157810284556,
"volume_molar": 5.7907027222590335,
"formula_full": "H22 C30",
"formula_reduced": "H11C15",
"formula_anonymous": "A11B15",
"energy_above_hull": 5.847772692307691,
"spacegroup": 2
},
{
"id": "jvasp-21121",
"created_at": "2022-09-04T14:37:30.618911Z",
"updated_at": "2022-09-04T14:37:30.618931Z",
"structure_string": "Sm8 Si4 Te4 O16\n1.0\n6.273321 0.000000 0.000000\n0.000000 7.136894 0.000000\n0.000000 0.000000 11.174059\nSm Si Te O\n8 4 4 16\ndirect\n0.389131 0.750000 0.500000 Sm\n0.389131 0.750000 0.000000 Sm\n0.610868 0.250000 0.500000 Sm\n0.610868 0.250000 0.000000 Sm\n0.886786 0.964835 0.750000 Sm\n0.886786 0.535164 0.250000 Sm\n0.113214 0.464835 0.750000 Sm\n0.113214 0.035164 0.250000 Sm\n0.112544 0.250000 0.000000 Si\n0.887456 0.750000 0.000000 Si\n0.887456 0.750000 0.500000 Si\n0.112544 0.250000 0.500000 Si\n0.402612 0.082286 0.750000 Te\n0.402612 0.417713 0.250000 Te\n0.597388 0.582286 0.750000 Te\n0.597388 0.917713 0.250000 Te\n0.948353 0.266276 0.383402 O\n0.948353 0.233724 0.616598 O\n0.948353 0.233724 0.883402 O\n0.948353 0.266276 0.116598 O\n0.051647 0.766275 0.116598 O\n0.051647 0.766275 0.383402 O\n0.270339 0.074083 0.035422 O\n0.270339 0.425917 0.964578 O\n0.729660 0.925916 0.535422 O\n0.729660 0.925916 0.964578 O\n0.729660 0.574083 0.035422 O\n0.270339 0.425917 0.535422 O\n0.270339 0.074083 0.464578 O\n0.051647 0.733724 0.883402 O\n0.729660 0.574083 0.464578 O\n0.051647 0.733724 0.616598 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Te",
"O"
],
"chemical_system": "O-Si-Sm-Te",
"density": 6.909255398854803,
"density_atomic": 0.06396350609452184,
"volume": 500.28527130317275,
"volume_molar": 9.414963512320297,
"formula_full": "Sm8 Si4 Te4 O16",
"formula_reduced": "Sm2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0538735145833336,
"spacegroup": 57
},
{
"id": "jvasp-66093",
"created_at": "2022-09-04T14:35:43.268247Z",
"updated_at": "2022-09-04T14:35:43.268277Z",
"structure_string": "Ba8 Ti4 Ni4\n1.0\n7.939736 0.000000 -0.000000\n-0.000000 7.939736 -0.000000\n-0.000000 0.000000 7.939736\nBa Ti Ni\n8 4 4\ndirect\n0.750000 0.250000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.750000 0.750000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.250000 0.250000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.250000 0.750000 0.250000 Ba\n0.250000 0.750000 0.750000 Ba\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Ni"
],
"chemical_system": "Ba-Ni-Ti",
"density": 5.058947816089637,
"density_atomic": 0.031966993751038446,
"volume": 500.5162551289403,
"volume_molar": 18.83862088159094,
"formula_full": "Ba8 Ti4 Ni4",
"formula_reduced": "Ba2TiNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2597506683333335,
"spacegroup": 225
},
{
"id": "jvasp-21542",
"created_at": "2022-09-04T14:38:35.397447Z",
"updated_at": "2022-09-04T14:38:35.397474Z",
"structure_string": "Nd8 Si12 Rh4\n1.0\n4.142351 -7.174763 -0.000000\n4.142351 7.174763 0.000000\n0.000000 -0.000000 8.422604\nNd Si Rh\n8 12 4\ndirect\n-0.000016 0.499992 0.750000 Nd\n0.499992 -0.000016 0.250000 Nd\n0.499992 0.500008 0.250000 Nd\n0.000016 0.500008 0.250000 Nd\n0.500008 0.000016 0.750000 Nd\n0.500008 0.499992 0.750000 Nd\n0.000000 0.000000 0.750000 Nd\n0.000000 0.000000 0.250000 Nd\n0.166933 0.833067 -0.000010 Si\n0.166933 0.833067 0.500010 Si\n0.666132 0.833067 0.500010 Si\n0.666132 0.833067 -0.000010 Si\n0.166933 0.333867 -0.000010 Si\n0.833067 0.666132 0.000010 Si\n0.166933 0.333867 0.500010 Si\n0.333867 0.166933 0.000010 Si\n0.333867 0.166933 0.499990 Si\n0.833067 0.666132 0.499990 Si\n0.833067 0.166933 0.499990 Si\n0.833067 0.166933 0.000010 Si\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 -0.000000 Rh\n0.666667 0.333333 0.499999 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Rh"
],
"chemical_system": "Nd-Rh-Si",
"density": 6.31047577775076,
"density_atomic": 0.047938054867676924,
"volume": 500.646095596641,
"volume_molar": 12.562338577614117,
"formula_full": "Nd8 Si12 Rh4",
"formula_reduced": "Nd2Si3Rh",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7323569666666665,
"spacegroup": 191
},
{
"id": "jvasp-45392",
"created_at": "2022-09-04T14:37:04.745147Z",
"updated_at": "2022-09-04T14:37:04.745163Z",
"structure_string": "Na8 Li4 Ga4 As8\n1.0\n5.886641 -0.000000 -0.000000\n0.000000 9.169418 -1.388351\n0.000000 0.013724 9.273918\nNa Li Ga As\n8 4 4 8\ndirect\n0.750000 0.572234 0.927766 Na\n0.223193 0.823613 0.176387 Na\n0.276807 0.323613 0.676387 Na\n0.776807 0.176387 0.823613 Na\n0.750000 0.072234 0.427766 Na\n0.250000 0.427766 0.072234 Na\n0.250000 0.927766 0.572234 Na\n0.723193 0.676387 0.323613 Na\n0.500000 0.380665 0.380665 Li\n0.500000 0.619335 0.619335 Li\n0.000000 0.119335 0.119335 Li\n0.000000 0.880665 0.880665 Li\n0.500000 0.868299 0.868299 Ga\n0.500000 0.131701 0.131701 Ga\n0.000000 0.631701 0.631701 Ga\n0.000000 0.368299 0.368299 Ga\n0.250000 0.641514 0.858486 As\n0.721772 0.892669 0.107331 As\n0.778228 0.392669 0.607332 As\n0.278228 0.107331 0.892669 As\n0.221772 0.607331 0.392669 As\n0.750000 0.358486 0.141514 As\n0.250000 0.141514 0.358486 As\n0.750000 0.858486 0.641514 As\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ga",
"As"
],
"chemical_system": "As-Ga-Li-Na",
"density": 3.6148026046323394,
"density_atomic": 0.04793374582691492,
"volume": 500.6911015605198,
"volume_molar": 12.563467878653775,
"formula_full": "Na8 Li4 Ga4 As8",
"formula_reduced": "Na2LiGaAs2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.5422256374999999,
"spacegroup": 64
}
]
}