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"results": [
{
"id": "jvasp-113187",
"created_at": "2022-09-04T14:38:47.205440Z",
"updated_at": "2022-09-04T14:38:47.205461Z",
"structure_string": "K2 Mn2 Se4 O16\n1.0\n5.573246 -0.010728 0.195343\n0.271434 7.767075 0.996730\n-0.015183 0.077099 8.114460\nK Mn Se O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500001 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.006137 0.207727 0.617040 Se\n0.506138 0.207726 0.117040 Se\n0.993863 0.792273 0.382959 Se\n0.493863 0.792273 0.882960 Se\n0.275313 0.193449 -0.006567 O\n0.775314 0.193448 0.493433 O\n0.493594 0.604405 0.814219 O\n0.993594 0.604405 0.314219 O\n0.506406 0.395594 0.185781 O\n0.006406 0.395594 0.685781 O\n0.502699 0.028559 0.262442 O\n0.233863 0.810410 0.000498 O\n0.497302 0.971440 0.737557 O\n0.997302 0.971440 0.237557 O\n0.224687 0.806551 0.506567 O\n0.733864 0.810409 0.500497 O\n0.766137 0.189590 -0.000498 O\n0.266137 0.189590 0.499502 O\n0.002699 0.028559 0.762443 O\n0.724687 0.806551 0.006567 O\n",
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{
"id": "jvasp-57343",
"created_at": "2022-09-04T14:38:17.012576Z",
"updated_at": "2022-09-04T14:38:17.012611Z",
"structure_string": "K1 Mn1 Se2 O8\n1.0\n4.855671 -0.050757 0.034287\n1.860950 4.653844 0.024769\n0.654799 0.783744 7.807023\nK Mn Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.612103 0.624365 0.207199 Se\n0.387898 0.375633 0.792801 Se\n0.236587 0.768110 0.188592 O\n0.239459 0.234460 0.969099 O\n0.680823 0.692108 0.393886 O\n0.718830 0.272124 0.192248 O\n0.760542 0.765537 0.030901 O\n0.319178 0.307890 0.606114 O\n0.281171 0.727873 0.807752 O\n0.763414 0.231888 0.811408 O\n",
"nsites": 12,
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"volume": 177.00734004411632,
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"formula_full": "K1 Mn1 Se2 O8",
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"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
"updated_at": "2022-09-04T14:36:11.829692Z",
"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
"nsites": 32,
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],
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"density": 4.036792309621858,
"density_atomic": 0.03425864233594607,
"volume": 934.0708743272007,
"volume_molar": 17.578457140670857,
"formula_full": "K8 Mn4 Sn4 Se16",
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"formula_anonymous": "ABC2D4",
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},
{
"id": "jvasp-56631",
"created_at": "2022-09-04T14:38:33.388023Z",
"updated_at": "2022-09-04T14:38:33.388039Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n2.989044 -5.177177 0.000000\n2.989044 5.177177 -0.000000\n0.000000 0.000000 15.688623\nK Mo Br O\n6 4 2 14\ndirect\n0.666666 0.333332 0.458012 K\n0.333332 0.666666 0.541988 K\n0.333332 0.666666 0.958012 K\n0.666666 0.333332 0.750000 K\n0.666666 0.333332 0.041988 K\n0.333332 0.666666 0.250000 K\n0.000000 0.000000 0.870208 Mo\n0.000000 0.000000 0.629791 Mo\n0.000000 0.000000 0.370208 Mo\n0.000000 0.000000 0.129791 Mo\n0.666666 0.333332 0.250000 Br\n0.333332 0.666666 0.750000 Br\n0.316633 0.158317 0.908914 O\n0.841682 0.683366 0.591086 O\n0.158317 0.316633 0.091086 O\n0.000000 0.000000 0.750000 O\n0.683366 0.841682 0.091086 O\n0.683366 0.841682 0.408914 O\n0.841682 0.158316 0.591086 O\n0.158316 0.841682 0.091086 O\n0.158317 0.316633 0.408914 O\n0.841682 0.683366 0.908914 O\n0.158316 0.841682 0.408914 O\n0.000000 0.000000 0.250000 O\n0.316633 0.158317 0.591086 O\n0.841682 0.158316 0.908914 O\n",
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"density": 3.4272155876941737,
"density_atomic": 0.05354676078920122,
"volume": 485.5569154286439,
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"formula_full": "K6 Mo4 Br2 O14",
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{
"id": "jvasp-116804",
"created_at": "2022-09-04T14:38:44.885411Z",
"updated_at": "2022-09-04T14:38:44.885444Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n5.960996 0.000000 0.000000\n-2.980498 5.162374 0.000000\n-0.000000 -0.000000 15.671561\nK Mo Br O\n6 4 2 14\ndirect\n0.666667 0.333333 0.457975 K\n0.333333 0.666666 0.542025 K\n0.333333 0.666666 0.957975 K\n0.666667 0.333333 0.750000 K\n0.666667 0.333333 0.042025 K\n0.333333 0.666666 0.250000 K\n0.000000 0.000000 0.870219 Mo\n0.000000 0.000000 0.629781 Mo\n0.000000 0.000000 0.370219 Mo\n0.000000 0.000000 0.129781 Mo\n0.666667 0.333333 0.250000 Br\n0.333333 0.666666 0.750000 Br\n0.317280 0.158641 0.908962 O\n0.841359 0.682719 0.591037 O\n0.158641 0.317280 0.091038 O\n0.000000 0.000000 0.750000 O\n0.682720 0.841359 0.091038 O\n0.682720 0.841359 0.408962 O\n0.841360 0.158641 0.591037 O\n0.158640 0.841359 0.091038 O\n0.158641 0.317280 0.408962 O\n0.841359 0.682719 0.908962 O\n0.158640 0.841359 0.408962 O\n0.000000 0.000000 0.250000 O\n0.317280 0.158641 0.591037 O\n0.841360 0.158641 0.908962 O\n",
"nsites": 26,
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"formula_full": "K6 Mo4 Br2 O14",
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},
{
"id": "jvasp-98798",
"created_at": "2022-09-04T14:35:42.257554Z",
"updated_at": "2022-09-04T14:35:42.257579Z",
"structure_string": "K4 Mo4 P8 O32\n1.0\n5.084428 0.040887 0.000000\n-0.126360 11.402292 0.000000\n0.000000 0.000000 11.761724\nK Mo P O\n4 4 8 32\ndirect\n0.717665 0.061209 0.633383 K\n0.782336 0.438792 0.133383 K\n0.282335 0.938791 0.366617 K\n0.217665 0.561208 0.866616 K\n0.741459 0.832907 0.878401 Mo\n0.758541 0.667093 0.378401 Mo\n0.258541 0.167093 0.121599 Mo\n0.241459 0.332907 0.621599 Mo\n0.254437 0.860638 0.061036 P\n0.754437 0.360638 0.438964 P\n0.745564 0.139362 0.938963 P\n0.245563 0.639362 0.561036 P\n0.264227 0.641778 0.192807 P\n0.764227 0.141779 0.307193 P\n0.735773 0.358222 0.807192 P\n0.235773 0.858221 0.692807 P\n0.954236 0.654431 0.528625 O\n0.454236 0.154431 0.971374 O\n0.045764 0.345569 0.471374 O\n0.778257 0.425523 0.914080 O\n0.721744 0.074477 0.414080 O\n0.221744 0.574477 0.085919 O\n0.688845 0.688778 0.856039 O\n0.811156 0.811222 0.356039 O\n0.311156 0.311222 0.143961 O\n0.188844 0.188778 0.643960 O\n0.424179 0.891079 0.790598 O\n0.075821 0.608920 0.290598 O\n0.545765 0.845569 0.028626 O\n0.278257 0.925523 0.585919 O\n0.287778 0.717710 0.674412 O\n0.578117 0.308776 0.532145 O\n0.712223 0.282290 0.325588 O\n0.787778 0.217710 0.825588 O\n0.447198 0.364903 0.765840 O\n0.052803 0.135097 0.265840 O\n0.552803 0.635097 0.234160 O\n0.947198 0.864903 0.734160 O\n0.575821 0.108921 0.209402 O\n0.921883 0.191224 0.032146 O\n0.421883 0.691224 0.467854 O\n0.078117 0.808776 0.967854 O\n0.315568 0.517183 0.598793 O\n0.184432 0.982817 0.098793 O\n0.684432 0.482817 0.401206 O\n0.815568 0.017183 0.901206 O\n0.212222 0.782290 0.174412 O\n0.924179 0.391080 0.709402 O\n",
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{
"id": "jvasp-97578",
"created_at": "2022-09-04T14:35:54.070646Z",
"updated_at": "2022-09-04T14:35:54.070666Z",
"structure_string": "K4 Mo4 P4 O24\n1.0\n7.599617 -0.017960 -3.239292\n-2.220949 7.267867 -3.239292\n0.018858 0.025419 9.572671\nK Mo P O\n4 4 4 24\ndirect\n0.088531 0.338531 0.250000 K\n0.661469 0.911469 0.250001 K\n0.338531 0.088531 0.750000 K\n0.911470 0.661469 0.750001 K\n0.401282 0.598719 0.750000 Mo\n0.848719 0.151282 0.750000 Mo\n0.598718 0.401282 0.250000 Mo\n0.151282 0.848719 0.250000 Mo\n0.241093 0.491093 0.982185 P\n0.758908 0.508908 0.017815 P\n0.491093 0.241093 0.482185 P\n0.508908 0.758908 0.517815 P\n0.607599 0.683652 0.412200 O\n0.029559 0.396343 0.857890 O\n0.538453 0.671669 0.642111 O\n0.603658 0.970442 0.642111 O\n0.328331 0.461548 0.857890 O\n0.271452 0.695399 0.087801 O\n0.029944 0.906262 0.094593 O\n0.728548 0.304601 0.912199 O\n0.811669 0.435351 0.405407 O\n0.093738 0.970056 0.405407 O\n0.564649 0.188331 0.094593 O\n0.970057 0.093739 0.905407 O\n0.188332 0.564649 0.594593 O\n0.906262 0.029944 0.594593 O\n0.316349 0.392402 0.087801 O\n0.435351 0.811669 0.905407 O\n0.461548 0.328331 0.357890 O\n0.396343 0.029559 0.357890 O\n0.671669 0.538453 0.142111 O\n0.683652 0.607599 0.912200 O\n0.695400 0.271452 0.587801 O\n0.392402 0.316349 0.587801 O\n0.970442 0.603658 0.142111 O\n0.304601 0.728548 0.412199 O\n",
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{
"id": "jvasp-112985",
"created_at": "2022-09-04T14:38:45.251639Z",
"updated_at": "2022-09-04T14:38:45.251664Z",
"structure_string": "K8 Mo4 S12 O4\n1.0\n7.018768 -0.000000 0.000000\n0.000000 9.053790 0.000000\n-0.000000 -0.000000 11.190742\nK Mo S O\n8 4 12 4\ndirect\n0.250000 0.450473 0.190738 K\n0.250000 0.950473 0.309262 K\n0.750000 0.549527 0.809262 K\n0.750000 0.049527 0.690738 K\n0.250000 0.157774 0.873583 K\n0.250000 0.657774 0.626417 K\n0.750000 0.842226 0.126417 K\n0.750000 0.342226 0.373583 K\n0.750000 0.260353 0.044558 Mo\n0.750000 0.760353 0.455442 Mo\n0.250000 0.239647 0.544557 Mo\n0.250000 0.739647 0.955442 Mo\n0.497108 0.151270 0.122283 S\n0.502892 0.848730 0.877717 S\n-0.002892 0.348730 0.622283 S\n0.002892 0.151270 0.122283 S\n0.497108 0.651270 0.377717 S\n0.002892 0.651270 0.377717 S\n0.250000 0.504799 0.900713 S\n0.502892 0.348730 0.622283 S\n0.750000 0.495201 0.099286 S\n0.750000 0.995201 0.400714 S\n0.250000 0.004799 0.599286 S\n-0.002892 0.848730 0.877717 S\n0.750000 0.744253 0.611294 O\n0.250000 0.255747 0.388706 O\n0.250000 0.755747 0.111294 O\n0.750000 0.244253 0.888706 O\n",
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{
"id": "jvasp-112879",
"created_at": "2022-09-04T14:38:44.680102Z",
"updated_at": "2022-09-04T14:38:44.680126Z",
"structure_string": "K4 Mo2 S4 O4\n1.0\n5.873616 -0.043832 2.882837\n1.696283 5.623514 2.882837\n-0.116095 -0.085572 9.549915\nK Mo S O\n4 2 4 4\ndirect\n0.761516 0.654979 0.664276 K\n0.345020 0.238484 0.835724 K\n0.238483 0.345021 0.335725 K\n0.654979 0.761516 0.164276 K\n0.074252 0.925746 0.750000 Mo\n0.925747 0.074254 0.250000 Mo\n0.245138 0.720708 0.946810 S\n0.279291 0.754860 0.553191 S\n0.754861 0.279292 0.053190 S\n0.720708 0.245140 0.446810 S\n0.087934 0.219294 0.671014 O\n0.780706 0.912065 0.828987 O\n0.912065 0.780706 0.328987 O\n0.219294 0.087935 0.171014 O\n",
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"structure_string": "K8 N4 Cl4 O12\n1.0\n5.685990 0.000000 0.000000\n-0.000000 7.594685 0.000000\n0.000000 0.000000 10.055541\nK N Cl O\n8 4 4 12\ndirect\n0.250000 0.480334 0.196684 K\n0.250000 0.980334 0.303316 K\n0.750000 0.837612 0.095074 K\n0.250000 0.662387 0.595074 K\n0.750000 0.519665 0.803316 K\n0.750000 0.019665 0.696684 K\n0.250000 0.162387 0.904926 K\n0.750000 0.337612 0.404926 K\n0.750000 0.962988 0.405694 N\n0.250000 0.537011 0.905694 N\n0.250000 0.037012 0.594306 N\n0.750000 0.462988 0.094306 N\n0.750000 0.275682 0.078732 Cl\n0.750000 0.775681 0.421268 Cl\n0.250000 0.224318 0.578732 Cl\n0.250000 0.724318 0.921268 Cl\n0.750000 0.205940 0.934996 O\n0.037952 0.318835 0.640148 O\n0.462048 0.818835 0.859851 O\n0.250000 0.794059 0.065004 O\n0.962048 0.681164 0.359851 O\n0.250000 0.294060 0.434996 O\n0.962048 0.181165 0.140149 O\n0.537952 0.681164 0.359851 O\n0.750000 0.705940 0.565003 O\n0.037952 0.818835 0.859851 O\n0.537952 0.181165 0.140149 O\n0.462048 0.318835 0.640148 O\n",
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{
"id": "jvasp-95175",
"created_at": "2022-09-04T14:35:56.552594Z",
"updated_at": "2022-09-04T14:35:56.552615Z",
"structure_string": "K4 N4 O4 F8\n1.0\n6.302075 0.000000 0.000000\n0.000000 6.890843 0.000000\n0.000000 0.000000 7.227023\nK N O F\n4 4 4 8\ndirect\n0.750001 0.885230 0.617170 K\n0.750001 0.385230 0.882829 K\n0.250000 0.614770 0.117171 K\n0.250000 0.114770 0.382829 K\n0.250000 0.019857 0.795351 N\n0.750001 0.980143 0.204648 N\n0.250000 0.519857 0.704648 N\n0.750001 0.480143 0.295352 N\n0.250000 0.050671 0.949431 O\n0.750001 0.949329 0.050569 O\n0.750001 0.449329 0.449431 O\n0.250000 0.550671 0.550568 O\n0.481253 0.672085 0.812030 F\n0.981254 0.327914 0.187970 F\n0.018747 0.672085 0.812030 F\n0.981254 0.827914 0.312030 F\n0.481253 0.172086 0.687970 F\n0.518747 0.827914 0.312030 F\n0.018747 0.172086 0.687970 F\n0.518747 0.327914 0.187970 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"N",
"O",
"F"
],
"chemical_system": "F-K-N-O",
"density": 2.266668933276088,
"density_atomic": 0.06372570317389473,
"volume": 313.84510494021526,
"volume_molar": 9.45009699393474,
"formula_full": "K4 N4 O4 F8",
"formula_reduced": "KNOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.057411063,
"spacegroup": 62
},
{
"id": "jvasp-10481",
"created_at": "2022-09-04T14:36:32.000242Z",
"updated_at": "2022-09-04T14:36:32.000262Z",
"structure_string": "K4 Na2 Al2 As4\n1.0\n6.029266 -0.000000 -2.400363\n-1.024763 6.109329 -2.574015\n0.016534 0.033440 8.813911\nK Na Al As\n4 2 2 4\ndirect\n0.324256 0.558766 0.648512 K\n0.175745 0.910255 0.351487 K\n0.675745 0.441234 0.351488 K\n0.824256 0.089746 0.648513 K\n0.250000 0.500000 -0.000000 Na\n0.750001 0.500000 0.000000 Na\n0.250000 -0.000000 0.000000 Al\n0.750001 -0.000000 0.000000 Al\n0.904021 0.701411 0.808041 As\n0.095980 0.298589 0.191959 As\n0.595980 0.893370 0.191959 As\n0.404020 0.106630 0.808041 As\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"As"
],
"chemical_system": "Al-As-K-Na",
"density": 2.836530680827128,
"density_atomic": 0.0368661248814763,
"volume": 325.5020710362076,
"volume_molar": 16.33516074542968,
"formula_full": "K4 Na2 Al2 As4",
"formula_reduced": "K2NaAlAs2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.5852118833333331,
"spacegroup": 72
}
]
}