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{
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"results": [
{
"id": "jvasp-45327",
"created_at": "2022-09-04T14:37:06.560003Z",
"updated_at": "2022-09-04T14:37:06.560037Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924735 0.000000 0.000000\n0.000000 5.256435 0.000000\n0.000000 0.000000 8.656650\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307454 Li\n0.500000 0.500000 0.807454 Li\n0.500000 0.000000 0.187698 Li\n0.000000 0.500000 0.687698 Li\n0.500000 0.000000 0.595692 Sn\n0.000000 0.500000 0.095692 Sn\n0.000000 0.000000 0.904511 Te\n0.500000 0.500000 0.404511 Te\n0.211427 0.687950 0.911921 O\n0.288573 0.187951 0.411921 O\n0.265863 0.665389 0.251991 O\n0.788572 0.312049 0.911921 O\n0.234136 0.165390 0.751991 O\n0.709815 0.338533 0.573361 O\n0.734136 0.334610 0.251991 O\n0.290184 0.661466 0.573361 O\n0.711426 0.812048 0.411921 O\n0.790184 0.838532 0.073361 O\n0.765863 0.834609 0.751991 O\n0.209816 0.161467 0.073361 O\n",
"nsites": 20,
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"elements": [
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"volume": 224.09079803426243,
"volume_molar": 6.747531643915299,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 34
},
{
"id": "jvasp-42434",
"created_at": "2022-09-04T14:37:29.956739Z",
"updated_at": "2022-09-04T14:37:29.956763Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.798278 0.000000 0.000000\n0.000000 4.788004 0.000000\n0.000000 0.000000 8.085022\nLi Fe O\n6 4 12\ndirect\n0.000000 0.500000 0.773313 Li\n0.000000 0.500000 0.066122 Li\n0.000000 0.000000 0.719132 Li\n0.500000 0.500000 0.219132 Li\n0.500000 0.000000 0.273313 Li\n0.500000 0.000000 0.566122 Li\n0.000000 0.000000 0.103183 Fe\n0.500000 0.500000 0.603183 Fe\n0.000000 0.500000 0.409495 Fe\n0.500000 0.000000 0.909495 Fe\n0.179409 0.293978 0.582448 O\n0.320591 0.793978 0.082448 O\n0.327564 0.705781 0.429208 O\n0.351229 0.756648 0.753561 O\n0.648771 0.243351 0.753561 O\n0.851230 0.743350 0.253561 O\n0.679409 0.206022 0.082448 O\n0.820592 0.706021 0.582448 O\n0.827565 0.794218 0.929207 O\n0.172436 0.205781 0.929207 O\n0.672436 0.294218 0.429208 O\n0.148771 0.256649 0.253561 O\n",
"nsites": 22,
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"elements": [
"Li",
"Fe",
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],
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"density": 4.08565834009398,
"density_atomic": 0.11844086323275245,
"volume": 185.74670430058416,
"volume_molar": 5.084512722746433,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.4213110909090907,
"spacegroup": 34
},
{
"id": "jvasp-27539",
"created_at": "2022-09-04T14:38:06.078073Z",
"updated_at": "2022-09-04T14:38:06.078093Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924758 0.000000 0.000000\n0.000000 5.256432 0.000000\n0.000000 0.000000 8.656663\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307455 Li\n0.500000 0.500000 0.807455 Li\n0.500000 0.000000 0.187697 Li\n0.000000 0.500000 0.687697 Li\n0.500000 0.000000 0.595693 Sn\n0.000000 0.500000 0.095693 Sn\n0.000000 0.000000 0.904508 Te\n0.500000 0.500000 0.404508 Te\n0.211426 0.687949 0.911921 O\n0.288575 0.187949 0.411922 O\n0.265862 0.665391 0.251991 O\n0.788575 0.312051 0.911921 O\n0.234138 0.165391 0.751990 O\n0.709815 0.338533 0.573361 O\n0.734138 0.334609 0.251991 O\n0.290185 0.661467 0.573361 O\n0.711426 0.812051 0.411922 O\n0.790185 0.838533 0.073361 O\n0.765863 0.834608 0.751990 O\n0.209815 0.161467 0.073361 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sn",
"Te",
"O"
],
"chemical_system": "Li-O-Sn-Te",
"density": 5.278765977879573,
"density_atomic": 0.08924903721984095,
"volume": 224.09205323678046,
"volume_molar": 6.747569438946527,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.886076046666667,
"spacegroup": 34
},
{
"id": "jvasp-26767",
"created_at": "2022-09-04T14:38:29.141957Z",
"updated_at": "2022-09-04T14:38:29.141978Z",
"structure_string": "Ba4 Sn4 Hg4 S16\n1.0\n6.693170 0.000000 0.000000\n0.000000 10.876261 0.000000\n0.000000 0.000000 10.979492\nBa Sn Hg S\n4 4 4 16\ndirect\n0.037375 0.000000 0.500000 Ba\n0.537375 0.500000 0.000000 Ba\n0.569645 0.500000 0.500000 Ba\n0.069645 0.000000 0.000000 Ba\n0.537320 0.790305 0.262836 Sn\n0.037320 0.290305 0.237164 Sn\n0.037320 0.709695 0.762836 Sn\n0.537320 0.209695 0.737163 Sn\n0.517729 0.824725 0.694125 Hg\n0.017729 0.324725 0.805875 Hg\n0.517729 0.175275 0.305875 Hg\n0.017729 0.675275 0.194125 Hg\n0.249083 0.274794 0.421319 S\n0.840738 0.903777 0.756276 S\n0.297261 0.951345 0.255983 S\n0.340738 0.403777 0.743724 S\n0.840738 0.096223 0.243724 S\n0.340738 0.596223 0.256276 S\n0.797261 0.548655 0.755983 S\n0.249083 0.725206 0.578680 S\n0.763960 0.233905 0.571010 S\n0.749083 0.774794 0.078681 S\n0.297261 0.048655 0.744017 S\n0.797261 0.451345 0.244017 S\n0.749083 0.225206 0.921319 S\n0.763960 0.766095 0.428990 S\n0.263960 0.733905 0.928990 S\n0.263960 0.266095 0.071010 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Sn",
"Hg",
"S"
],
"chemical_system": "Ba-Hg-S-Sn",
"density": 4.860571477936915,
"density_atomic": 0.035031949653531284,
"volume": 799.2703882290933,
"volume_molar": 17.190424225769455,
"formula_full": "Ba4 Sn4 Hg4 S16",
"formula_reduced": "BaSnHgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.8609046099999997,
"spacegroup": 34
},
{
"id": "jvasp-57103",
"created_at": "2022-09-04T14:38:30.319419Z",
"updated_at": "2022-09-04T14:38:30.319456Z",
"structure_string": "Ag8 Bi4 O12\n1.0\n0.000000 6.149469 0.087588\n6.301892 0.000000 0.000000\n0.000000 -5.986563 -9.810544\nAg Bi O\n8 4 12\ndirect\n0.242715 0.249554 0.495352 Ag\n0.225993 0.497676 0.253260 Ag\n0.283036 -0.001895 0.752170 Ag\n0.750898 0.249337 0.496267 Ag\n0.750898 0.750663 -0.003733 Ag\n0.283036 0.001895 0.252171 Ag\n0.225993 0.502323 0.753260 Ag\n0.242715 0.750445 0.995352 Ag\n0.897822 0.749957 0.396291 Bi\n0.897822 0.250043 0.896291 Bi\n0.606115 0.250703 0.105061 Bi\n0.606115 0.749297 0.605061 Bi\n0.627253 0.434934 0.931297 O\n0.858125 0.528700 0.242195 O\n0.884706 0.063824 0.060236 O\n0.627253 0.565066 0.431297 O\n0.632237 -0.025779 0.244256 O\n0.858125 0.471299 0.742195 O\n0.236719 0.437794 0.059218 O\n0.884706 0.936175 0.560236 O\n0.238682 0.934063 0.431472 O\n0.236719 0.562206 0.559218 O\n0.238682 0.065937 0.931472 O\n0.632237 0.025779 0.744255 O\n",
"nsites": 24,
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"elements": [
"Ag",
"Bi",
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],
"chemical_system": "Ag-Bi-O",
"density": 8.33101566076533,
"density_atomic": 0.06367965772217647,
"volume": 376.8864478623287,
"volume_molar": 9.456930164847268,
"formula_full": "Ag8 Bi4 O12",
"formula_reduced": "Ag2BiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2888515533333331,
"spacegroup": 34
},
{
"id": "jvasp-48244",
"created_at": "2022-09-04T14:35:43.757659Z",
"updated_at": "2022-09-04T14:35:43.757685Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.040844 0.000000 0.000000\n0.000000 6.631014 0.000000\n0.000000 0.000000 10.326990\nLi Fe Si O\n4 4 4 16\ndirect\n0.754779 0.496613 0.154305 Li\n0.254780 0.996613 0.345695 Li\n0.754779 0.003386 0.654305 Li\n0.254780 0.503386 0.845695 Li\n0.752602 0.995839 0.169371 Fe\n0.252602 0.495839 0.330629 Fe\n0.752602 0.504160 0.669371 Fe\n0.252602 0.004160 0.830629 Fe\n0.750715 0.760180 0.910320 Si\n0.250715 0.260180 0.589680 Si\n0.750715 0.739819 0.410320 Si\n0.250715 0.239819 0.089680 Si\n0.868714 0.554451 0.841336 O\n0.884558 0.954880 0.834686 O\n0.384558 0.454881 0.665314 O\n0.368714 0.054452 0.658664 O\n0.927417 0.267391 0.616293 O\n0.815360 0.737889 0.566070 O\n0.315360 0.262111 0.433930 O\n0.927417 0.232608 0.116293 O\n0.868714 0.945548 0.341336 O\n0.884558 0.545119 0.334686 O\n0.384558 0.045119 0.165314 O\n0.368714 0.445548 0.158664 O\n0.427417 0.767391 0.883707 O\n0.815360 0.762110 0.066070 O\n0.427417 0.732608 0.383707 O\n0.315360 0.237889 0.933930 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.98000439473401,
"density_atomic": 0.08111498133388775,
"volume": 345.18900873250055,
"volume_molar": 7.424202854971384,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438026871428572,
"spacegroup": 33
},
{
"id": "jvasp-97428",
"created_at": "2022-09-04T14:35:43.523210Z",
"updated_at": "2022-09-04T14:35:43.523242Z",
"structure_string": "Li4 H16 S4 N4 O16\n1.0\n5.344794 0.000000 0.000000\n0.000000 8.566465 0.000000\n0.000000 0.000000 9.042341\nLi H S N O\n4 16 4 4 16\ndirect\n0.256059 0.808554 0.416062 Li\n0.256059 0.308553 0.083938 Li\n0.756058 0.191447 0.583938 Li\n0.756058 0.691447 0.916062 Li\n0.435809 0.046383 0.776488 H\n0.435809 0.546383 0.723512 H\n0.702009 0.506667 0.163327 H\n0.141846 0.593164 0.678115 H\n0.702009 0.006667 0.336673 H\n0.641846 0.406836 0.321885 H\n0.202009 0.993334 0.663327 H\n0.202009 0.493334 0.836672 H\n0.229050 0.404089 0.669227 H\n0.141846 0.093164 0.821885 H\n0.229050 0.904089 0.830773 H\n0.729049 0.095911 0.169227 H\n0.935809 0.453617 0.276488 H\n0.935809 0.953618 0.223512 H\n0.729049 0.595911 0.330773 H\n0.641846 0.906837 0.178115 H\n0.251083 0.203754 0.420577 S\n0.751082 0.796247 0.579422 S\n0.751082 0.296247 0.920577 S\n0.251083 0.703754 0.079422 S\n0.253047 0.507656 0.727687 N\n0.753046 0.492344 0.272313 N\n0.253047 0.007656 0.772313 N\n0.753046 -0.007656 0.227687 N\n0.647708 0.739965 0.722055 O\n0.147708 0.260035 0.277945 O\n0.011505 0.235316 0.940739 O\n0.091195 0.763182 0.955731 O\n0.754887 0.468681 0.923559 O\n0.754887 0.968681 0.576441 O\n0.147708 0.760036 0.222055 O\n0.011505 0.735317 0.559261 O\n0.254888 0.531320 0.076441 O\n0.091195 0.263182 0.544269 O\n0.591194 0.736819 0.455731 O\n0.511504 0.764684 0.059261 O\n0.254888 0.031320 0.423559 O\n0.647708 0.239965 0.777945 O\n0.591194 0.236819 0.044269 O\n0.511504 0.264684 0.440739 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Li-N-O-S",
"density": 1.9419225198673855,
"density_atomic": 0.10627697380618224,
"volume": 414.01254123252494,
"volume_molar": 5.66645863569902,
"formula_full": "Li4 H16 S4 N4 O16",
"formula_reduced": "LiH4SNO4",
"formula_anonymous": "ABCD4E4",
"energy_above_hull": 2.9335306590909083,
"spacegroup": 33
},
{
"id": "jvasp-98408",
"created_at": "2022-09-04T14:35:44.852127Z",
"updated_at": "2022-09-04T14:35:44.852163Z",
"structure_string": "Ga12 Cl28\n1.0\n8.851187 0.000000 0.000000\n0.000000 10.364258 0.000000\n0.000000 0.000000 11.661515\nGa Cl\n12 28\ndirect\n0.850720 0.130606 0.393502 Ga\n0.121225 0.263095 0.888401 Ga\n0.649281 0.130606 0.893502 Ga\n0.149281 0.630607 0.606498 Ga\n0.575840 0.496971 0.825902 Ga\n0.878776 0.763096 0.111598 Ga\n0.350720 0.630607 0.106498 Ga\n0.924160 0.496971 0.325902 Ga\n0.621225 0.763096 0.611598 Ga\n0.424160 -0.003029 0.174098 Ga\n0.075840 -0.003029 0.674098 Ga\n0.378776 0.263095 0.388401 Ga\n0.323722 0.936653 0.012351 Cl\n0.697029 0.820844 -0.003303 Cl\n0.248237 0.134152 0.257201 Cl\n0.982205 0.913874 0.213400 Cl\n0.960665 0.130880 0.971156 Cl\n0.460665 0.630880 0.528843 Cl\n0.627965 0.116728 0.157413 Cl\n0.251764 0.134152 0.757200 Cl\n0.446799 0.835296 0.291916 Cl\n0.176278 0.936653 0.512351 Cl\n0.372036 0.616729 0.842587 Cl\n0.872036 0.116728 0.657412 Cl\n0.053201 0.835296 0.791916 Cl\n0.039335 0.630880 0.028843 Cl\n0.539335 0.130880 0.471156 Cl\n0.748237 0.634152 0.242799 Cl\n0.482205 0.413874 0.286600 Cl\n0.802971 0.820844 0.496697 Cl\n0.302971 0.320844 0.003303 Cl\n0.676279 0.436653 0.987648 Cl\n0.823722 0.436653 0.487648 Cl\n0.017795 0.413874 0.786600 Cl\n0.751764 0.634152 0.742799 Cl\n0.197029 0.320844 0.503303 Cl\n0.127965 0.616729 0.342587 Cl\n0.946799 0.335296 0.208084 Cl\n0.517795 0.913874 0.713400 Cl\n0.553201 0.335296 0.708084 Cl\n",
"nsites": 40,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.8395764735317868,
"density_atomic": 0.03739084538483916,
"volume": 1069.7805729800048,
"volume_molar": 16.105922981997608,
"formula_full": "Ga12 Cl28",
"formula_reduced": "Ga3Cl7",
"formula_anonymous": "A3B7",
"energy_above_hull": 0.1005444883333333,
"spacegroup": 33
},
{
"id": "jvasp-87304",
"created_at": "2022-09-04T14:35:44.657378Z",
"updated_at": "2022-09-04T14:35:44.657401Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.492348 0.000000 0.000000\n0.000000 8.434219 0.000000\n0.000000 0.000000 9.549996\nMg Si O\n8 8 24\ndirect\n-0.017602 0.892924 0.694681 Mg\n0.942592 0.625364 0.537172 Mg\n0.017602 0.107076 0.194681 Mg\n0.517602 0.392924 0.194681 Mg\n0.057408 0.374636 0.037172 Mg\n0.557408 0.125364 0.037172 Mg\n0.482398 0.607076 0.694681 Mg\n0.442592 0.874636 0.537172 Mg\n0.254361 0.835943 0.964610 Si\n0.245639 0.335943 0.464610 Si\n0.745639 0.164057 0.464610 Si\n0.754362 0.664057 0.964610 Si\n0.285058 0.180878 0.756271 Si\n0.714943 0.819123 0.256271 Si\n0.785058 0.319123 0.756271 Si\n0.214942 0.680878 0.256271 Si\n0.025596 0.210910 0.405166 O\n0.245496 0.545215 0.136799 O\n0.529584 0.258889 0.840190 O\n0.765530 0.154377 0.635565 O\n0.745496 0.954785 0.136799 O\n0.322854 0.008005 0.900266 O\n0.789492 0.272770 0.129281 O\n0.234470 0.845624 0.135565 O\n0.254505 0.045215 0.636799 O\n0.474404 0.710910 0.905167 O\n0.029584 0.241111 0.840190 O\n0.210509 0.727230 0.629281 O\n0.734470 0.654376 0.135565 O\n0.525596 0.289090 0.405166 O\n0.470416 0.741111 0.340190 O\n0.677146 0.991995 0.400266 O\n0.710509 0.772770 0.629281 O\n0.970417 0.758890 0.340190 O\n0.265530 0.345623 0.635565 O\n0.822855 0.491995 0.900266 O\n0.177146 0.508005 0.400266 O\n0.289492 0.227230 0.129281 O\n-0.025596 0.789090 0.905167 O\n0.754505 0.454785 0.636799 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.014517468089157,
"density_atomic": 0.0904177886683725,
"volume": 442.3908236321612,
"volume_molar": 6.660349527113023,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47031563,
"spacegroup": 33
},
{
"id": "jvasp-52341",
"created_at": "2022-09-04T14:35:44.858593Z",
"updated_at": "2022-09-04T14:35:44.858638Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.235745 0.000000 0.000000\n0.000000 6.101279 0.000000\n0.000000 0.000000 7.689710\nSb O F\n4 4 4\ndirect\n0.378432 0.193259 0.089336 Sb\n0.878431 0.306741 0.589336 Sb\n0.378432 0.693259 0.410664 Sb\n0.878431 0.806741 0.910664 Sb\n0.731997 0.122427 0.924765 O\n0.231998 0.377574 0.424765 O\n0.731997 0.622427 0.575235 O\n0.231998 0.877574 0.075235 O\n0.175859 0.919185 0.721122 F\n0.675858 0.580815 0.221122 F\n0.175859 0.419185 0.778878 F\n0.675858 0.080815 0.278878 F\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "F-O-Sb",
"density": 5.23935232549964,
"density_atomic": 0.060383821211196786,
"volume": 198.72872831331975,
"volume_molar": 9.973103124655076,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
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"spacegroup": 33
},
{
"id": "jvasp-98320",
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{
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}