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{
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"results": [
{
"id": "jvasp-43824",
"created_at": "2022-09-04T14:35:53.711749Z",
"updated_at": "2022-09-04T14:35:53.711783Z",
"structure_string": "Mn6 O10 F2\n1.0\n0.000000 5.380850 0.029294\n4.499607 0.000000 0.000000\n0.000000 -0.507159 -7.384409\nMn O F\n6 10 2\ndirect\n0.074664 0.477215 0.835276 Mn\n0.408575 0.512863 0.163363 Mn\n0.748483 0.514416 0.511482 Mn\n0.591425 0.012863 0.836638 Mn\n0.251517 0.014416 0.488519 Mn\n0.925336 0.977215 0.164724 Mn\n0.622390 0.805943 0.066275 O\n0.955173 0.802752 0.397662 O\n0.120372 0.694377 0.059740 O\n0.453747 0.695665 0.398757 O\n0.786207 0.695553 0.735770 O\n0.213793 0.195553 0.264231 O\n0.377610 0.305943 0.933726 O\n0.879628 0.194377 0.940261 O\n0.546253 0.195665 0.601244 O\n0.044827 0.302751 0.602339 O\n0.718939 0.301219 0.269286 F\n0.281061 0.801219 0.730715 F\n",
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"volume": 178.7223222541704,
"volume_molar": 5.979394342048304,
"formula_full": "Mn6 O10 F2",
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"spacegroup": 4
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{
"id": "jvasp-98724",
"created_at": "2022-09-04T14:35:53.893408Z",
"updated_at": "2022-09-04T14:35:53.893426Z",
"structure_string": "Sr4 Al8 O16\n1.0\n5.198974 -0.028777 0.000000\n-0.476641 8.435872 0.000000\n0.000000 0.000000 8.844022\nSr Al O\n4 8 16\ndirect\n0.251662 0.490616 0.000505 Sr\n0.198398 0.031311 0.992940 Sr\n0.801601 0.968688 0.492940 Sr\n0.748337 0.509384 0.500505 Sr\n0.709583 0.190528 0.829763 Al\n0.290416 0.809472 0.329763 Al\n0.729122 0.799672 0.837606 Al\n0.270877 0.200327 0.337606 Al\n0.222155 0.709572 0.667256 Al\n0.777844 0.290427 0.167256 Al\n0.802516 0.679030 0.169490 Al\n0.197484 0.320969 0.669490 Al\n0.405949 0.269096 0.815584 O\n0.594050 0.730903 0.315584 O\n0.356838 0.008470 0.387988 O\n0.340525 0.331290 0.488991 O\n0.659474 0.668709 0.988991 O\n0.898712 0.268611 0.981857 O\n0.101287 0.731389 0.481857 O\n0.938330 0.166949 0.291535 O\n0.061670 0.833050 0.791534 O\n0.898067 0.207201 0.662723 O\n0.101932 0.792798 0.162723 O\n0.885630 0.485427 0.219727 O\n0.114369 0.514573 0.719726 O\n0.643161 0.991529 0.887988 O\n0.436716 0.264231 0.169834 O\n0.563283 0.735768 0.669833 O\n",
"nsites": 28,
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"elements": [
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"Al",
"O"
],
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"density": 3.5215169591418913,
"density_atomic": 0.07220984860539142,
"volume": 387.7587412350485,
"volume_molar": 8.339777573706709,
"formula_full": "Sr4 Al8 O16",
"formula_reduced": "SrAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5529651299999998,
"spacegroup": 4
},
{
"id": "jvasp-98784",
"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
"nsites": 30,
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"elements": [
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"Cl",
"O"
],
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"density": 4.797486166080255,
"density_atomic": 0.06215386616958193,
"volume": 482.6731118889268,
"volume_molar": 9.689084736207823,
"formula_full": "Pr6 Si4 Cl6 O14",
"formula_reduced": "Pr3Si2Cl3O7",
"formula_anonymous": "A2B3C3D7",
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{
"id": "jvasp-42270",
"created_at": "2022-09-04T14:35:54.489921Z",
"updated_at": "2022-09-04T14:35:54.489947Z",
"structure_string": "Fe8 O8 F8\n1.0\n0.000000 4.596342 -0.020383\n4.574081 0.000000 0.000000\n0.000000 0.036601 -11.891811\nFe O F\n8 8 8\ndirect\n0.294548 0.010577 0.314531 Fe\n0.220324 0.949975 0.060488 Fe\n0.279157 0.013248 0.811564 Fe\n0.282931 0.016101 0.558823 Fe\n0.779675 0.449976 0.939512 Fe\n0.717068 0.516101 0.441177 Fe\n0.720842 0.513248 0.188436 Fe\n0.705451 0.510577 0.685469 Fe\n0.065142 0.168693 0.937423 O\n0.934857 0.668692 0.062577 O\n0.557576 0.333488 0.319468 O\n0.541813 0.315359 0.556457 O\n0.572754 0.290563 0.815192 O\n0.458186 0.815359 0.443543 O\n0.442424 0.833488 0.680532 O\n0.427245 0.790563 0.184808 O\n0.473661 0.754215 0.935849 F\n0.526338 0.254216 0.064151 F\n0.973100 0.707331 0.807164 F\n0.955427 0.720036 0.560430 F\n0.946584 0.720414 0.323114 F\n0.053416 0.220414 0.676886 F\n0.044572 0.220036 0.439570 F\n0.026899 0.207331 0.192836 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.826933929042292,
"density_atomic": 0.09599596626040041,
"volume": 250.01050497160642,
"volume_molar": 6.2733268850737245,
"formula_full": "Fe8 O8 F8",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
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"spacegroup": 4
},
{
"id": "jvasp-62267",
"created_at": "2022-09-04T14:35:54.677720Z",
"updated_at": "2022-09-04T14:35:54.677739Z",
"structure_string": "Tl4 Zn4 As4 O16\n1.0\n0.000000 9.023057 0.027936\n5.683180 0.000000 0.000000\n0.000000 -0.155789 -8.974342\nTl Zn As O\n4 4 4 16\ndirect\n0.997813 0.988821 0.183690 Tl\n0.002187 0.488821 0.816310 Tl\n0.502305 0.003831 0.326000 Tl\n0.497695 0.503831 0.673999 Tl\n0.178385 0.004755 0.598404 Zn\n0.821616 0.504755 0.401596 Zn\n0.671578 0.963409 0.925167 Zn\n0.328423 0.463409 0.074832 Zn\n0.690250 0.466485 0.065635 As\n0.309750 0.966485 0.934365 As\n0.186634 0.502415 0.399805 As\n0.813366 0.002415 0.600194 As\n0.779896 0.298866 0.571912 O\n0.220104 0.798866 0.428088 O\n0.788647 0.244168 0.981798 O\n0.211353 0.744168 0.018201 O\n0.676070 0.894449 0.712347 O\n0.323930 0.394449 0.287652 O\n0.198048 0.349752 0.566025 O\n0.982770 0.964140 0.688982 O\n0.787434 0.722966 0.038822 O\n0.212566 0.222966 0.961177 O\n0.520380 0.495038 0.974626 O\n0.479621 0.995038 0.025374 O\n0.668259 0.409205 0.252213 O\n0.017230 0.464140 0.311017 O\n0.801952 0.849752 0.433974 O\n0.331741 0.909205 0.747786 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Zn",
"As",
"O"
],
"chemical_system": "As-O-Tl-Zn",
"density": 5.899314647918037,
"density_atomic": 0.060846225874972015,
"volume": 460.17644640005994,
"volume_molar": 9.897311909491986,
"formula_full": "Tl4 Zn4 As4 O16",
"formula_reduced": "TlZnAsO4",
"formula_anonymous": "ABCD4",
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{
"id": "jvasp-97503",
"created_at": "2022-09-04T14:35:55.964619Z",
"updated_at": "2022-09-04T14:35:55.964645Z",
"structure_string": "H36 Br4 O16\n1.0\n5.981810 -0.000524 -2.779653\n0.000136 12.139243 0.000093\n-0.202031 -0.000215 7.699591\nH Br O\n36 4 16\ndirect\n0.416403 0.341622 -0.003036 H\n0.557429 0.449383 0.549966 H\n0.301486 0.328990 0.565681 H\n0.442602 0.949235 0.450067 H\n0.698488 0.829114 0.434254 H\n0.454239 0.570467 0.893875 H\n0.402900 0.534797 0.665966 H\n0.341599 0.666285 0.710730 H\n0.658248 0.166310 0.289632 H\n0.596774 0.034743 0.333881 H\n0.036454 0.458446 0.046138 H\n0.290477 0.455232 0.385005 H\n0.912170 0.459499 0.180399 H\n0.087595 -0.040633 0.819587 H\n-0.036802 -0.041652 0.953816 H\n0.709563 0.955229 0.615041 H\n-0.061385 0.764438 0.478001 H\n0.710971 0.762222 0.244262 H\n0.545762 0.070571 0.106252 H\n0.289105 0.262141 0.755747 H\n0.253021 0.243391 -0.008890 H\n0.583415 0.841701 0.002960 H\n0.747079 0.743453 0.008896 H\n0.039412 0.289817 0.121461 H\n0.067740 0.156253 0.144411 H\n-0.039563 0.789800 0.878393 H\n-0.067692 0.656260 0.855491 H\n0.586568 0.154076 0.694732 H\n0.821653 0.209743 0.833798 H\n0.413557 0.654064 0.305246 H\n0.178404 0.709757 0.166173 H\n0.726009 0.335021 0.359726 H\n0.747835 0.248400 0.529972 H\n0.273915 0.835086 0.640152 H\n0.252259 0.748355 0.470173 H\n0.061586 0.264391 0.521913 H\n0.573191 0.494562 0.176727 Br\n0.426439 0.994597 0.823110 Br\n0.060850 0.989382 0.271622 Br\n0.939054 0.489405 0.728088 Br\n0.051737 0.433058 0.174942 O\n0.555075 0.097731 0.232890 O\n0.444755 0.597708 0.767191 O\n0.604059 0.945004 0.473474 O\n0.395946 0.445101 0.526577 O\n0.767273 0.761033 0.405271 O\n0.232784 0.260990 0.594857 O\n0.214032 0.761736 0.584072 O\n0.302135 0.708571 0.301275 O\n0.697874 0.208663 0.698734 O\n-0.050085 0.720240 0.942284 O\n0.050046 0.220260 0.057612 O\n0.629477 0.765612 0.052651 O\n0.370295 0.265585 0.947056 O\n0.785907 0.261690 0.415945 O\n-0.052104 -0.067003 0.824956 O\n",
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"elements": [
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],
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"density_atomic": 0.10139674730330274,
"volume": 552.2859607368879,
"volume_molar": 5.939185348802451,
"formula_full": "H36 Br4 O16",
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"spacegroup": 4
},
{
"id": "jvasp-43658",
"created_at": "2022-09-04T14:35:57.908125Z",
"updated_at": "2022-09-04T14:35:57.908155Z",
"structure_string": "Li4 Cr2 P2 C2 O14\n1.0\n0.000000 4.982964 0.034747\n6.313390 0.000000 0.000000\n0.000000 -0.847507 -8.228468\nLi Cr P C O\n4 2 2 2 14\ndirect\n0.790524 0.244224 0.899703 Li\n0.263619 0.464294 0.721942 Li\n0.736380 0.964294 0.278058 Li\n0.209474 0.744224 0.100297 Li\n0.796418 0.752677 0.677015 Cr\n0.203581 0.252677 0.322985 Cr\n0.729762 0.249535 0.582334 P\n0.270237 0.749535 0.417666 P\n0.674282 0.751768 0.954386 C\n0.325717 0.251768 0.045613 C\n0.495070 0.223841 0.176242 O\n0.160867 0.937458 0.306334 O\n0.208242 0.560505 0.300125 O\n0.865625 0.230928 0.426534 O\n0.580126 0.778552 0.460922 O\n0.419873 0.278552 0.539078 O\n0.400853 0.279334 0.906584 O\n0.839131 0.437458 0.693666 O\n0.791757 0.060505 0.699875 O\n0.504928 0.723841 0.823758 O\n0.599146 0.779334 0.093416 O\n0.928069 0.754899 0.923573 O\n0.134374 0.730928 0.573465 O\n0.071930 0.254899 0.076427 O\n",
"nsites": 24,
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"density_atomic": 0.09277990383017151,
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"volume_molar": 6.4907814207516275,
"formula_full": "Li4 Cr2 P2 C2 O14",
"formula_reduced": "Li2CrPCO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 4
},
{
"id": "jvasp-97865",
"created_at": "2022-09-04T14:35:59.076927Z",
"updated_at": "2022-09-04T14:35:59.076953Z",
"structure_string": "Rb8 C2 O8\n1.0\n5.905399 0.000000 0.000000\n0.000000 6.978609 0.035298\n0.000000 0.243642 8.315061\nRb C O\n8 2 8\ndirect\n0.736176 0.129267 0.400247 Rb\n0.230353 0.458275 0.397210 Rb\n0.715805 0.006040 0.833373 Rb\n0.911656 0.414150 0.965873 Rb\n0.215805 -0.006040 0.166627 Rb\n0.411656 0.585850 0.034128 Rb\n0.730353 0.541725 0.602790 Rb\n0.236176 0.870733 0.599753 Rb\n0.768544 0.709576 0.264830 C\n0.268544 0.290424 0.735170 C\n0.266614 0.499324 0.731877 O\n0.051221 0.225813 0.683080 O\n0.766614 0.500676 0.268123 O\n0.812636 0.781390 0.101695 O\n0.440286 0.224952 0.631147 O\n0.940286 0.775047 0.368853 O\n0.312636 0.218610 0.898305 O\n0.551221 0.774187 0.316920 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.0505218354409465,
"density_atomic": 0.052535554837262216,
"volume": 342.62510514561137,
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"formula_full": "Rb8 C2 O8",
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"spacegroup": 4
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{
"id": "jvasp-42243",
"created_at": "2022-09-04T14:35:58.197918Z",
"updated_at": "2022-09-04T14:35:58.197934Z",
"structure_string": "Li4 V2 P4 H2 O16\n1.0\n0.000000 4.839198 -0.001527\n8.021948 0.000000 0.000000\n0.000000 -1.848052 -7.298353\nLi V P H O\n4 2 4 2 16\ndirect\n0.371451 0.634205 0.909090 Li\n0.628550 0.134205 0.090910 Li\n0.860136 0.865062 0.409765 Li\n0.139865 0.365061 0.590235 Li\n0.749037 0.499939 0.253304 V\n0.250964 -0.000061 0.746696 V\n0.884430 0.844797 0.012287 P\n0.115570 0.344796 0.987713 P\n0.382768 0.651816 0.517632 P\n0.617232 0.151816 0.482368 P\n0.775092 0.489633 0.760385 H\n0.224908 0.989633 0.239615 H\n0.888570 0.322107 0.097813 O\n0.111431 0.822107 0.902187 O\n0.987238 0.437486 0.800727 O\n0.863718 0.041710 0.592468 O\n0.736663 0.322299 0.442063 O\n0.012762 0.937486 0.199273 O\n0.607199 0.675482 0.403270 O\n0.263338 0.822299 0.557937 O\n0.766849 0.677970 0.061082 O\n0.639806 0.957762 0.909541 O\n0.505551 0.559834 0.699912 O\n0.392801 0.175482 0.596730 O\n0.233152 0.177970 0.938918 O\n0.360195 0.457762 0.090459 O\n0.494450 0.059834 0.300088 O\n0.136283 0.541710 0.407532 O\n",
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{
"id": "jvasp-97636",
"created_at": "2022-09-04T14:36:00.818567Z",
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{
"id": "jvasp-48178",
"created_at": "2022-09-04T14:36:01.043241Z",
"updated_at": "2022-09-04T14:36:01.043269Z",
"structure_string": "Fe8 O2 F14\n1.0\n0.000000 5.743016 -0.166798\n4.811637 0.000000 0.000000\n0.000000 -1.191724 -10.375607\nFe O F\n8 2 14\ndirect\n0.128735 0.518028 0.625610 Fe\n0.616591 0.481110 0.139675 Fe\n0.405102 0.491553 0.366401 Fe\n0.882795 0.508652 0.874012 Fe\n0.383410 0.981111 0.860325 Fe\n0.594899 0.991553 0.633599 Fe\n0.871266 0.018028 0.374390 Fe\n0.117207 0.008652 0.125989 Fe\n0.342035 0.783509 0.699982 O\n0.657967 0.283508 0.300019 O\n0.390550 0.203345 0.041725 F\n0.156757 0.211168 0.299621 F\n0.149071 0.290484 0.801830 F\n0.393151 0.292917 0.544322 F\n0.896701 0.299407 0.049162 F\n0.104392 0.702475 0.441808 F\n0.850930 0.790485 0.198170 F\n0.843244 0.711168 0.700380 F\n0.609451 0.703346 0.958276 F\n0.103301 0.799408 0.950838 F\n0.658073 0.217357 0.803386 F\n0.606850 0.792917 0.455678 F\n0.341929 0.717357 0.196614 F\n0.895610 0.202475 0.558192 F\n",
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{
"id": "jvasp-95497",
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"updated_at": "2022-09-04T14:36:01.127172Z",
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}