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=67",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=65",
"results": [
{
"id": "jvasp-96911",
"created_at": "2022-09-04T14:36:35.474256Z",
"updated_at": "2022-09-04T14:36:35.474279Z",
"structure_string": "Ag8 I8 O24\n1.0\n5.484219 0.000000 0.000000\n0.000000 7.448408 0.000000\n0.000000 0.000000 15.143621\nAg I O\n8 8 24\ndirect\n0.553048 0.898842 0.709459 Ag\n0.079639 0.601110 0.290549 Ag\n0.579639 0.398891 0.709451 Ag\n0.079639 0.398891 0.790549 Ag\n0.579639 0.601110 0.209451 Ag\n0.053047 0.101159 0.290541 Ag\n0.053047 0.898842 0.790541 Ag\n0.553048 0.101159 0.209459 Ag\n0.036633 0.351503 0.079956 I\n0.096083 0.148500 0.579967 I\n0.596083 0.148500 0.920033 I\n0.096083 0.851500 0.079967 I\n0.536633 0.351503 0.420044 I\n0.036633 0.648497 0.579956 I\n0.596083 0.851500 0.420033 I\n0.536633 0.648497 0.920044 I\n0.836455 0.676315 0.412408 O\n0.336455 0.676315 0.087592 O\n0.836455 0.323686 0.912408 O\n0.336455 0.323686 0.587592 O\n0.134070 0.352793 0.196996 O\n0.829954 0.451434 0.583696 O\n0.634071 0.647207 0.803004 O\n0.134070 0.647207 0.696996 O\n0.634071 0.352793 0.303004 O\n-0.001318 0.852780 0.197009 O\n0.498682 0.147220 0.802991 O\n-0.001318 0.147220 0.697009 O\n0.498682 0.852780 0.302991 O\n0.329954 0.451434 0.916304 O\n0.302793 0.048547 0.083705 O\n0.302793 0.951453 0.583704 O\n0.802793 0.048547 0.416295 O\n0.796245 0.176335 0.087595 O\n0.296244 0.823665 0.912405 O\n0.796245 0.823665 0.587595 O\n0.296244 0.176335 0.412405 O\n0.329954 0.548566 0.416304 O\n0.802793 0.951453 0.916295 O\n0.829954 0.548566 0.083696 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"I",
"O"
],
"chemical_system": "Ag-I-O",
"density": 6.072475532086984,
"density_atomic": 0.06466242868036812,
"volume": 618.5972413396875,
"volume_molar": 9.313199152738223,
"formula_full": "Ag8 I8 O24",
"formula_reduced": "AgIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.340444807,
"spacegroup": 61
},
{
"id": "jvasp-88328",
"created_at": "2022-09-04T14:35:57.024266Z",
"updated_at": "2022-09-04T14:35:57.024287Z",
"structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7921234926777323,
"density_atomic": 0.0998192182248609,
"volume": 400.72443675017314,
"volume_molar": 6.033047410203149,
"formula_full": "H16 C4 S4 N8 O8",
"formula_reduced": "H4CS(NO)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 3.94656235,
"spacegroup": 62
},
{
"id": "jvasp-24278",
"created_at": "2022-09-04T14:38:28.944881Z",
"updated_at": "2022-09-04T14:38:28.944905Z",
"structure_string": "Ag8 Te8 O24\n1.0\n0.000000 6.544170 -0.002898\n7.020671 0.000000 0.000000\n0.000000 -0.176010 -13.424607\nAg Te O\n8 8 24\ndirect\n0.480165 0.171259 0.077513 Ag\n0.480165 0.328741 0.577513 Ag\n0.545369 0.437176 0.820710 Ag\n0.519835 0.671259 0.422487 Ag\n0.454631 0.562824 0.179290 Ag\n0.545369 0.062824 0.320710 Ag\n0.519835 0.828741 0.922487 Ag\n0.454631 0.937176 0.679290 Ag\n0.135278 0.154389 0.858294 Te\n0.008757 0.864709 0.408491 Te\n0.135278 0.345611 0.358294 Te\n0.008757 0.635291 0.908491 Te\n0.864722 0.654389 0.641706 Te\n0.864722 0.845611 0.141706 Te\n0.991243 0.135291 0.591509 Te\n0.991243 0.364709 0.091509 Te\n0.807313 0.855144 0.301081 O\n0.422312 0.353636 0.362571 O\n0.162165 0.318461 0.518860 O\n0.192687 0.144856 0.698919 O\n0.827534 0.945229 0.662604 O\n0.195406 0.829467 0.865966 O\n0.837835 0.818461 0.981141 O\n0.162165 0.181539 0.018860 O\n0.839858 0.415301 0.963820 O\n0.422312 0.146364 0.862572 O\n0.172466 0.445229 0.837396 O\n0.577688 0.646364 0.637429 O\n0.807313 0.644856 0.801082 O\n0.172466 0.054771 0.337396 O\n0.804594 0.329467 0.634035 O\n0.195406 0.670533 0.365965 O\n0.192687 0.355144 0.198919 O\n0.577688 0.853636 0.137429 O\n0.804594 0.170533 0.134035 O\n0.839858 0.084699 0.463820 O\n0.837835 0.681539 0.481141 O\n0.160142 0.915301 0.536180 O\n0.827534 0.554771 0.162604 O\n0.160142 0.584699 0.036180 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"Te",
"O"
],
"chemical_system": "Ag-O-Te",
"density": 6.105248927880432,
"density_atomic": 0.06485189855171691,
"volume": 616.7899613316876,
"volume_molar": 9.285989916235948,
"formula_full": "Ag8 Te8 O24",
"formula_reduced": "AgTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5169311053333332,
"spacegroup": 14
},
{
"id": "jvasp-60039",
"created_at": "2022-09-04T14:37:34.721394Z",
"updated_at": "2022-09-04T14:37:34.721423Z",
"structure_string": "Na8 Nb8 O24\n1.0\n5.559064 -0.000000 0.000000\n-0.000000 5.641841 0.000000\n0.000000 0.000000 15.648914\nNa Nb O\n8 8 24\ndirect\n0.257357 0.250000 0.000000 Na\n0.742642 0.750000 0.500000 Na\n0.742642 0.750000 0.000000 Na\n0.257357 0.250000 0.500000 Na\n0.259491 0.203803 0.250000 Na\n0.259491 0.296196 0.750000 Na\n0.740509 0.703803 0.250000 Na\n0.740509 0.796196 0.750000 Na\n0.243986 0.725855 0.374728 Nb\n0.243986 0.774144 0.625271 Nb\n0.756013 0.274145 0.874728 Nb\n0.756013 0.225855 0.125272 Nb\n0.756013 0.225855 0.374728 Nb\n0.243986 0.774144 0.874728 Nb\n0.243986 0.725855 0.125272 Nb\n0.756013 0.274145 0.625271 Nb\n0.544149 0.536866 0.644325 O\n0.175285 0.722821 0.750000 O\n0.175285 0.777179 0.250000 O\n0.677565 0.250000 0.500000 O\n0.322434 0.750000 0.000000 O\n0.322434 0.750000 0.500000 O\n0.677565 0.250000 0.000000 O\n0.455851 0.463134 0.144325 O\n0.455851 0.036866 0.855674 O\n0.544149 0.963134 0.355674 O\n0.544149 0.536866 0.855674 O\n0.956003 0.953326 0.893399 O\n0.455851 0.036866 0.644325 O\n0.455851 0.463134 0.355674 O\n0.043996 0.046673 0.106600 O\n0.043996 0.453327 0.893399 O\n0.956003 0.546673 0.393399 O\n0.956003 0.953326 0.606600 O\n0.824714 0.277179 0.250000 O\n0.956003 0.546673 0.106600 O\n0.043996 0.453327 0.606600 O\n0.043996 0.046673 0.393399 O\n0.544149 0.963134 0.144325 O\n0.824714 0.222821 0.750000 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.436049098904269,
"density_atomic": 0.08149918596481044,
"volume": 490.80244822655186,
"volume_molar": 7.38920357143227,
"formula_full": "Na8 Nb8 O24",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0353637799999995,
"spacegroup": 57
},
{
"id": "jvasp-99086",
"created_at": "2022-09-04T14:36:09.737499Z",
"updated_at": "2022-09-04T14:36:09.737517Z",
"structure_string": "Ba8 Na2 Ru6 O24\n1.0\n5.832126 -0.000000 0.000000\n-2.916062 5.050769 -0.000000\n0.000000 -0.000000 19.224905\nBa Na Ru O\n8 2 6 24\ndirect\n0.000000 0.000000 0.116816 Ba\n0.000000 0.000000 0.616816 Ba\n0.333334 0.666667 0.372583 Ba\n0.666668 0.333333 0.872583 Ba\n0.666668 0.333333 0.496825 Ba\n0.333334 0.666667 0.996825 Ba\n0.333334 0.666667 0.745785 Ba\n0.666668 0.333333 0.245785 Ba\n0.666668 0.333333 0.059444 Na\n0.333334 0.666667 0.559445 Na\n0.333334 0.666667 0.183671 Ru\n0.666668 0.333333 0.683672 Ru\n0.000000 0.000000 0.434756 Ru\n0.000000 0.000000 0.799869 Ru\n0.000000 0.000000 0.299868 Ru\n0.000000 0.000000 0.934757 Ru\n0.155926 0.311852 0.488358 O\n0.513249 0.026498 0.628268 O\n0.486752 0.973502 0.128268 O\n0.026499 0.513249 0.128268 O\n0.513249 0.486751 0.628268 O\n0.844075 0.688148 0.988358 O\n0.155927 0.844074 0.488358 O\n0.688149 0.844074 0.488358 O\n0.311852 0.155926 0.988358 O\n0.844075 0.155926 0.988358 O\n0.691367 0.845683 0.864677 O\n0.668409 0.834204 0.244775 O\n0.845684 0.154317 0.364677 O\n0.154317 0.845683 0.864677 O\n0.154317 0.308634 0.864677 O\n0.308634 0.154317 0.364677 O\n0.834205 0.668408 0.744775 O\n0.165797 0.834204 0.244775 O\n0.973503 0.486751 0.628268 O\n0.331592 0.165796 0.744775 O\n0.834204 0.165796 0.744775 O\n0.165797 0.331592 0.244775 O\n0.845684 0.691366 0.364677 O\n0.486752 0.513249 0.128268 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ru",
"O"
],
"chemical_system": "Ba-Na-O-Ru",
"density": 6.260349819647508,
"density_atomic": 0.07063360698573597,
"volume": 566.3026667755727,
"volume_molar": 8.525885930214685,
"formula_full": "Ba8 Na2 Ru6 O24",
"formula_reduced": "Ba4Na(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.470446819,
"spacegroup": 186
},
{
"id": "jvasp-87286",
"created_at": "2022-09-04T14:36:20.271177Z",
"updated_at": "2022-09-04T14:36:20.271192Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.361801 0.000000 -0.892206\n0.000000 7.898165 0.000000\n0.043184 0.000000 6.792202\nBa H O\n8 16 16\ndirect\n0.895134 0.144799 0.251644 Ba\n0.395134 0.355201 0.751645 Ba\n0.104865 0.855200 0.748355 Ba\n0.604865 0.644799 0.248355 Ba\n0.317925 0.050262 0.281608 Ba\n0.817925 0.449738 0.781608 Ba\n0.682074 0.949737 0.718391 Ba\n0.182074 0.550262 0.218391 Ba\n0.092656 0.238532 0.555485 H\n0.592656 0.261468 0.055485 H\n0.907343 0.761467 0.444514 H\n0.407343 0.738532 0.944514 H\n0.120476 0.274128 0.936538 H\n0.379523 0.774127 0.563461 H\n0.879523 0.725872 0.063461 H\n0.620476 0.225872 0.436538 H\n0.977026 0.148812 0.780831 H\n0.522973 0.648811 0.719168 H\n0.022974 0.851188 0.219168 H\n0.882459 0.539986 0.313275 H\n0.382459 0.960014 0.813275 H\n0.117540 0.460014 0.686724 H\n0.617540 0.039986 0.186724 H\n0.477026 0.351188 0.280831 H\n0.841096 0.702166 0.525720 O\n0.341097 0.797833 0.025721 O\n0.605576 0.339923 0.490605 O\n0.105576 0.160077 -0.009395 O\n0.394424 0.660076 0.509395 O\n0.894424 0.839923 0.009394 O\n0.417276 0.361556 0.152360 O\n0.880615 0.494090 0.177807 O\n0.582723 0.638444 0.847639 O\n0.082724 0.861555 0.347640 O\n0.380615 0.005910 0.677808 O\n0.119384 0.505909 0.822192 O\n0.619384 0.994090 0.322192 O\n0.658903 0.202167 0.974279 O\n0.917276 0.138444 0.652359 O\n0.158903 0.297833 0.474279 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.5294225163947095,
"density_atomic": 0.07959773700324589,
"volume": 502.52684945514034,
"volume_molar": 7.565718557745461,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6921165940000005,
"spacegroup": 14
},
{
"id": "jvasp-21547",
"created_at": "2022-09-04T14:38:29.136220Z",
"updated_at": "2022-09-04T14:38:29.136246Z",
"structure_string": "Th4 P8 O28\n1.0\n9.019839 0.000000 -0.000000\n0.000000 9.019839 0.000000\n-0.000000 -0.000000 9.019839\nTh P O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.398602 0.398602 0.398602 P\n0.101398 0.601398 0.898602 P\n0.898602 0.101398 0.601398 P\n0.601398 0.898602 0.101398 P\n0.898602 0.398602 0.101398 P\n0.101398 0.898602 0.398602 P\n0.398602 0.101398 0.898602 P\n0.601398 0.601398 0.601398 P\n0.571384 0.944631 0.261203 O\n0.500000 0.000000 0.000000 O\n0.261203 0.571384 0.944631 O\n0.944631 0.261203 0.571384 O\n0.928616 0.055369 0.761203 O\n0.761203 0.928616 0.055369 O\n0.428616 0.444631 0.238797 O\n0.555369 0.738797 0.071384 O\n0.055369 0.761203 0.928616 O\n0.071384 0.555369 0.738797 O\n0.000000 0.000000 0.500000 O\n0.444631 0.238797 0.428616 O\n0.000000 0.500000 0.000000 O\n0.555369 0.761203 0.571384 O\n0.738797 0.428616 0.055369 O\n0.055369 0.738797 0.428616 O\n0.428616 0.055369 0.738797 O\n0.071384 0.944631 0.238797 O\n0.738797 0.071384 0.555369 O\n0.571384 0.555369 0.761203 O\n0.444631 0.261203 0.928616 O\n0.944631 0.238797 0.071384 O\n0.928616 0.444631 0.261203 O\n0.238797 0.071384 0.944631 O\n0.261203 0.928616 0.444631 O\n0.761203 0.571384 0.555369 O\n0.500000 0.500000 0.500000 O\n0.238797 0.428616 0.444631 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Th",
"P",
"O"
],
"chemical_system": "O-P-Th",
"density": 3.6746742965482286,
"density_atomic": 0.05450842511688876,
"volume": 733.8315116282179,
"volume_molar": 11.048091642871764,
"formula_full": "Th4 P8 O28",
"formula_reduced": "ThP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.85401611,
"spacegroup": 205
},
{
"id": "jvasp-33317",
"created_at": "2022-09-04T14:36:48.720818Z",
"updated_at": "2022-09-04T14:36:48.720839Z",
"structure_string": "B4 H16 O8 F12\n1.0\n5.450083 0.000000 0.046970\n0.000000 7.260109 0.000000\n0.116340 0.000000 8.595550\nB H O F\n4 16 8 12\ndirect\n0.263625 0.305807 0.918625 B\n0.736375 0.805807 0.581375 B\n0.736375 0.694193 0.081375 B\n0.263625 0.194193 0.418625 B\n0.168277 0.936673 0.840873 H\n0.168277 0.563327 0.340873 H\n0.831722 0.063327 0.159127 H\n0.910783 0.225683 0.657817 H\n0.089217 0.725683 0.842183 H\n0.089217 0.774318 0.342183 H\n0.910783 0.274317 0.157817 H\n0.831722 0.436673 0.659127 H\n0.374845 0.739290 0.181773 H\n0.374845 0.760710 0.681773 H\n0.625154 0.260710 0.818227 H\n0.615562 0.282483 0.515193 H\n0.384437 0.782483 0.984807 H\n0.384437 0.717517 0.484807 H\n0.615562 0.217517 0.015193 H\n0.625154 0.239290 0.318228 H\n0.767502 0.308721 0.664468 O\n0.232498 0.808721 0.835532 O\n0.767502 0.191279 0.164468 O\n0.232498 0.691280 0.335532 O\n0.481991 0.772505 0.085691 O\n0.481991 0.727495 0.585691 O\n0.518008 0.227495 0.914309 O\n0.518008 0.272505 0.414309 O\n0.906348 0.841186 0.102809 F\n0.244663 0.431831 0.797070 F\n0.755337 0.931831 0.702930 F\n0.755337 0.568169 0.202930 F\n0.244663 0.068169 0.297070 F\n0.216433 0.385997 0.065163 F\n0.783567 0.885997 0.434837 F\n0.783567 0.614003 0.934837 F\n0.216433 0.114003 0.565163 F\n0.093651 0.158814 0.897191 F\n0.906348 0.658815 0.602809 F\n0.093651 0.341186 0.397191 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"B",
"H",
"O",
"F"
],
"chemical_system": "B-F-H-O",
"density": 2.0281075938135937,
"density_atomic": 0.1176225864656628,
"volume": 340.070739829183,
"volume_molar": 5.119884659021696,
"formula_full": "B4 H16 O8 F12",
"formula_reduced": "BH4O2F3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 2.110804043083334,
"spacegroup": 14
},
{
"id": "jvasp-59285",
"created_at": "2022-09-04T14:38:02.279648Z",
"updated_at": "2022-09-04T14:38:02.279669Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.03420358737088,
"density_atomic": 0.09100825642706276,
"volume": 439.5205618740473,
"volume_molar": 6.617136726299505,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42321363,
"spacegroup": 60
},
{
"id": "jvasp-62522",
"created_at": "2022-09-04T14:36:02.948488Z",
"updated_at": "2022-09-04T14:36:02.948519Z",
"structure_string": "K4 As8 F28\n1.0\n0.000000 8.548832 -0.002756\n7.286554 0.000000 0.000000\n0.000000 -3.682463 -10.154914\nK As F\n4 8 28\ndirect\n0.228349 0.843889 0.078263 K\n0.271651 0.343889 0.921737 K\n0.771651 0.156111 0.921737 K\n0.728349 0.656110 0.078263 K\n0.665774 0.185325 0.232790 As\n0.834226 0.685325 0.767210 As\n0.334226 0.814674 0.767210 As\n0.165774 0.314674 0.232790 As\n0.872695 0.169927 0.595149 As\n0.372695 0.330072 0.595149 As\n0.127305 0.830072 0.404851 As\n0.627305 0.669927 0.404851 As\n0.790150 0.504065 0.864663 F\n0.596811 0.325319 0.070272 F\n0.209850 0.495934 0.135337 F\n0.290150 0.995934 0.864663 F\n0.709850 0.004066 0.135337 F\n0.295843 0.002215 0.620757 F\n0.551468 0.874254 0.812902 F\n0.051468 0.625745 0.812902 F\n0.448532 0.125745 0.187098 F\n0.204157 0.502215 0.379243 F\n0.903190 0.825319 0.929728 F\n0.948532 0.374255 0.187098 F\n0.403190 0.674680 0.929728 F\n0.814700 0.616630 0.372940 F\n0.522245 0.706880 0.231097 F\n0.977755 0.206881 0.768904 F\n0.477755 0.293119 0.768903 F\n0.022245 0.793119 0.231096 F\n0.795843 0.497785 0.620757 F\n0.685300 0.116630 0.627060 F\n0.185300 0.383369 0.627060 F\n0.314700 0.883369 0.372940 F\n0.555097 0.432367 0.381010 F\n0.944904 0.932366 0.618990 F\n0.444904 0.567633 0.618990 F\n0.055097 0.067633 0.381010 F\n0.096811 0.174680 0.070272 F\n0.704157 -0.002215 0.379243 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"As",
"F"
],
"chemical_system": "As-F-K",
"density": 3.3799866492657706,
"density_atomic": 0.0632272077513174,
"volume": 632.6390397837323,
"volume_molar": 9.524603369622188,
"formula_full": "K4 As8 F28",
"formula_reduced": "KAs2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.2701422032500002,
"spacegroup": 14
},
{
"id": "jvasp-88209",
"created_at": "2022-09-04T14:36:02.444180Z",
"updated_at": "2022-09-04T14:36:02.444207Z",
"structure_string": "K12 Al4 H24\n1.0\n3.214563 0.000000 0.000000\n0.000000 12.985310 0.000000\n0.000000 0.000000 15.120694\nK Al H\n12 4 24\ndirect\n0.499999 0.472002 0.720376 K\n0.499999 0.747454 0.118175 K\n0.499999 0.252546 0.881825 K\n0.499999 0.702687 0.854640 K\n0.499999 0.297313 0.145360 K\n0.000000 0.027998 0.220376 K\n0.000000 0.797313 0.354640 K\n0.000000 0.202687 0.645360 K\n0.499999 0.527998 0.279623 K\n0.000000 0.247454 0.381825 K\n0.000000 0.752546 0.618175 K\n0.000000 0.972002 0.779623 K\n0.000000 0.500000 0.000000 Al\n0.499999 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.499999 0.000000 0.500000 Al\n0.499999 0.880210 0.248124 H\n0.000000 0.405124 0.573483 H\n0.499999 0.439841 0.445644 H\n0.000000 0.939841 0.054356 H\n0.000000 0.370474 0.007033 H\n0.499999 0.870474 0.492967 H\n0.499999 0.119790 0.751876 H\n0.000000 0.995080 0.574076 H\n0.499999 0.560159 0.554356 H\n0.499999 0.129526 0.507033 H\n0.499999 0.495080 0.925924 H\n0.000000 0.666139 0.225716 H\n0.000000 0.594876 0.426517 H\n0.499999 0.166139 0.274284 H\n0.499999 0.504920 0.074076 H\n0.000000 0.004920 0.425924 H\n0.000000 0.629526 0.992967 H\n0.000000 0.380210 0.251876 H\n0.000000 0.619790 0.748124 H\n0.000000 0.060159 0.945644 H\n0.000000 0.333861 0.774284 H\n0.499999 0.094876 0.073483 H\n0.499999 0.833861 0.725716 H\n0.499999 0.905124 0.926517 H\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Al",
"H"
],
"chemical_system": "Al-H-K",
"density": 1.5819459867953092,
"density_atomic": 0.06337442077952427,
"volume": 631.1694767066599,
"volume_molar": 9.502478580357618,
"formula_full": "K12 Al4 H24",
"formula_reduced": "K3AlH6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.69927268,
"spacegroup": 58
},
{
"id": "jvasp-98611",
"created_at": "2022-09-04T14:36:10.013711Z",
"updated_at": "2022-09-04T14:36:10.013731Z",
"structure_string": "Ga8 Fe8 O24\n1.0\n5.052611 0.000000 0.000000\n0.000000 8.735889 0.000000\n0.000000 0.000000 9.347316\nGa Fe O\n8 8 24\ndirect\n0.829706 0.849584 0.503213 Ga\n0.173372 0.846117 0.806847 Ga\n0.329706 0.650416 0.503213 Ga\n0.326628 0.346117 0.306847 Ga\n0.826628 0.153883 0.306847 Ga\n0.670294 0.349584 0.003213 Ga\n0.170294 0.150416 0.003213 Ga\n0.673372 0.653883 0.806847 Ga\n0.315730 0.664186 0.072481 Fe\n0.667656 0.043837 0.789236 Fe\n0.832344 0.543837 0.289236 Fe\n0.167656 0.456163 0.789236 Fe\n0.684270 0.335814 0.572481 Fe\n0.184270 0.164186 0.572481 Fe\n0.332344 0.956163 0.289236 Fe\n0.815730 0.835814 0.072481 Fe\n0.639394 0.676636 0.168827 O\n0.988147 0.670050 0.440759 O\n0.028665 0.013885 0.438088 O\n0.008372 0.311043 0.439342 O\n0.669880 -0.011194 0.197307 O\n0.829290 0.837062 0.703663 O\n0.508372 0.188957 0.439342 O\n0.488147 0.829950 0.440759 O\n0.860606 0.176636 0.668827 O\n0.971334 0.986115 0.938088 O\n0.329290 0.662938 0.703663 O\n0.471335 0.513885 0.938088 O\n0.169880 0.511194 0.197307 O\n0.330120 0.011194 0.697307 O\n0.830120 0.488806 0.697307 O\n0.139394 0.823364 0.168827 O\n0.670710 0.337062 0.203663 O\n0.528665 0.486115 0.438088 O\n0.011853 0.329950 0.940759 O\n0.491628 0.811043 0.939342 O\n0.170710 0.162938 0.203663 O\n0.511853 0.170050 0.940759 O\n0.360606 0.323364 0.668827 O\n-0.008372 0.688957 0.939342 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"O"
],
"chemical_system": "Fe-Ga-O",
"density": 5.58848827920025,
"density_atomic": 0.09695050955942004,
"volume": 412.58163759814363,
"volume_molar": 6.211561741518324,
"formula_full": "Ga8 Fe8 O24",
"formula_reduced": "GaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.848505665,
"spacegroup": 33
}
]
}