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{
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"results": [
{
"id": "jvasp-57388",
"created_at": "2022-09-04T14:36:56.760853Z",
"updated_at": "2022-09-04T14:36:56.760874Z",
"structure_string": "Mn2 Bi2 As2 O10\n1.0\n5.384360 -0.055041 0.033692\n-2.311436 6.531659 -0.009990\n-0.737135 -2.683252 6.377986\nMn Bi As O\n2 2 2 10\ndirect\n0.675023 0.782457 0.636813 Mn\n0.324978 0.217544 0.363187 Mn\n0.924041 0.484437 0.245030 Bi\n0.075959 0.515564 0.754971 Bi\n0.352113 0.119872 0.822003 As\n0.647888 0.880129 0.177998 As\n0.729785 0.448414 0.496273 O\n0.568344 0.702438 0.916819 O\n0.431657 0.297563 0.083182 O\n0.224024 0.221266 0.656233 O\n0.270215 0.551587 0.503727 O\n0.775976 0.778734 0.343767 O\n0.356331 0.905487 0.240318 O\n0.090284 0.870679 0.784514 O\n0.643669 0.094513 0.759682 O\n0.909717 0.129322 0.215486 O\n",
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"elements": [
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],
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"formula_full": "Mn2 Bi2 As2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-57086",
"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
"nsites": 16,
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"elements": [
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"Ti",
"P",
"S"
],
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"density": 2.3587398440665175,
"density_atomic": 0.04083793864001841,
"volume": 391.7925471468603,
"volume_molar": 14.746436672733305,
"formula_full": "K2 Ti2 P2 S10",
"formula_reduced": "KTiPS5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-56641",
"created_at": "2022-09-04T14:38:33.489325Z",
"updated_at": "2022-09-04T14:38:33.489347Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723814 -0.027385 0.060238\n-2.768294 6.696620 -0.039013\n-0.913116 -2.614649 6.667820\nV Bi Pb O\n2 2 2 10\ndirect\n0.426379 0.698754 0.622039 V\n0.730452 0.389096 0.923279 V\n0.005119 0.019084 0.018014 Bi\n0.151722 0.068763 0.527292 Bi\n0.764963 0.359632 0.391705 Pb\n0.391889 0.728221 0.153601 Pb\n0.321308 0.063198 0.269979 O\n0.941318 0.331295 0.068376 O\n0.911486 0.658482 0.959563 O\n0.631052 0.229693 0.669265 O\n0.835537 0.024653 0.275316 O\n0.525764 0.858171 0.876049 O\n0.695883 0.736533 0.529928 O\n0.460966 0.351321 0.015412 O\n0.215521 0.756544 0.476921 O\n0.245338 0.429369 0.585767 O\n",
"nsites": 16,
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"elements": [
"V",
"Bi",
"Pb",
"O"
],
"chemical_system": "Bi-O-Pb-V",
"density": 7.117409943463033,
"density_atomic": 0.06267309652943116,
"volume": 255.29295480855063,
"volume_molar": 9.608813180583818,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3128808525,
"spacegroup": 2
},
{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
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"density": 4.173171907479223,
"density_atomic": 0.095424991812907,
"volume": 167.6709601544432,
"volume_molar": 6.310863271340052,
"formula_full": "Ti2 Al2 Fe2 O10",
"formula_reduced": "TiAlFeO5",
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"spacegroup": 36
},
{
"id": "jvasp-97328",
"created_at": "2022-09-04T14:36:02.397288Z",
"updated_at": "2022-09-04T14:36:02.397313Z",
"structure_string": "K8 Si8 Sb8 O40\n1.0\n6.522980 0.000000 0.000000\n0.000000 10.746569 0.000000\n0.000000 0.000000 13.123108\nK Si Sb O\n8 8 8 40\ndirect\n0.804066 0.062139 0.607414 K\n0.304066 0.562139 0.892587 K\n0.695934 0.062139 0.107414 K\n0.774269 0.307917 0.382074 K\n0.274269 0.807917 0.117927 K\n0.725730 0.307917 0.882074 K\n0.225731 0.807917 0.617927 K\n0.195934 0.562139 0.392587 K\n0.004086 0.001341 0.318641 Si\n0.824815 0.750722 0.000510 Si\n0.324816 0.250722 0.499491 Si\n0.675184 0.750722 0.500510 Si\n0.175184 0.250722 -0.000510 Si\n0.504086 0.501341 0.181359 Si\n0.495914 0.001341 0.818641 Si\n0.995914 0.501341 0.681359 Si\n0.500811 0.001332 0.381830 Sb\n0.753739 0.749599 0.252895 Sb\n0.246261 0.249599 0.747105 Sb\n0.746261 0.749599 0.752895 Sb\n0.253739 0.249599 0.247105 Sb\n0.000811 0.501332 0.118170 Sb\n-0.000811 0.001332 0.881830 Sb\n0.499189 0.501332 0.618170 Sb\n0.198710 0.973516 0.393982 O\n0.325558 0.232300 0.098364 O\n0.825558 0.732300 0.401636 O\n0.174442 0.232300 0.598364 O\n0.681318 0.766519 0.102427 O\n0.318682 0.266519 0.897573 O\n0.818682 0.766519 0.602427 O\n0.181318 0.266519 0.397573 O\n0.530429 0.874821 0.272481 O\n0.533536 0.877422 0.492487 O\n0.469571 0.374821 0.727519 O\n0.969571 0.874821 0.772481 O\n0.030429 0.374821 0.227519 O\n0.482446 0.131897 0.274321 O\n0.517554 0.631897 0.725679 O\n0.017554 0.131897 0.774321 O\n0.982446 0.631897 0.225679 O\n0.957907 0.886203 0.239292 O\n0.042093 0.386203 0.760708 O\n0.542093 0.886203 0.739292 O\n0.457907 0.386203 0.260708 O\n0.042805 0.117228 0.238478 O\n0.957195 0.617228 0.761522 O\n0.033536 0.377422 0.007513 O\n0.457195 0.117228 0.738478 O\n0.542805 0.617228 0.261522 O\n0.801290 0.473516 0.606018 O\n0.301290 0.973516 0.893982 O\n0.698710 0.473516 0.106018 O\n0.806919 0.033186 0.391804 O\n0.193081 0.533186 0.608197 O\n0.693081 0.033186 0.891804 O\n0.306919 0.533186 0.108196 O\n0.487678 0.134858 0.488235 O\n0.512322 0.634858 0.511765 O\n0.012322 0.134858 0.988235 O\n0.987678 0.634858 0.011765 O\n0.466464 0.377422 0.507513 O\n0.674442 0.732300 0.901636 O\n0.966464 0.877422 0.992487 O\n",
"nsites": 64,
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"elements": [
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"Sb",
"O"
],
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"density": 3.883677826125578,
"density_atomic": 0.06957086330821191,
"volume": 919.9253388084039,
"volume_molar": 8.65612481092953,
"formula_full": "K8 Si8 Sb8 O40",
"formula_reduced": "KSiSbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.0306375249999995,
"spacegroup": 33
},
{
"id": "jvasp-8428",
"created_at": "2022-09-04T14:37:18.150686Z",
"updated_at": "2022-09-04T14:37:18.150705Z",
"structure_string": "Ba1 Cu1 W1 O5\n1.0\n3.830790 0.000000 0.000000\n-0.000000 3.830790 0.000000\n-0.000000 0.000000 7.991873\nBa Cu W O\n1 1 1 5\ndirect\n0.000000 0.000000 0.047611 Ba\n0.500000 0.500000 0.301342 Cu\n0.500000 0.500000 0.670742 W\n0.000000 0.500000 0.643825 O\n0.500000 0.000000 0.643825 O\n0.000000 0.500000 0.260885 O\n0.500000 0.000000 0.260885 O\n0.500000 0.500000 0.894730 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.579696350129299,
"density_atomic": 0.068212618781141,
"volume": 117.28035285770014,
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"formula_full": "Ba1 Cu1 W1 O5",
"formula_reduced": "BaCuWO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 99
},
{
"id": "jvasp-57330",
"created_at": "2022-09-04T14:38:14.496447Z",
"updated_at": "2022-09-04T14:38:14.496466Z",
"structure_string": "Ni2 Bi2 As2 O10\n1.0\n5.254777 0.028328 -0.012453\n-0.660706 6.740117 0.013581\n-2.048550 -2.716409 5.956605\nNi Bi As O\n2 2 2 10\ndirect\n0.831612 0.363139 0.739934 Ni\n0.168388 0.636862 0.260068 Ni\n0.413071 0.233042 0.971591 Bi\n0.586929 0.766959 0.028410 Bi\n0.843734 0.812323 0.611803 As\n0.156266 0.187678 0.388198 As\n0.774163 0.499317 0.050383 O\n0.270744 0.355292 0.277437 O\n0.729256 0.644709 0.722564 O\n0.579131 0.777547 0.371370 O\n0.084016 0.916243 0.195520 O\n0.856022 0.235751 0.425193 O\n0.225838 0.500684 0.949618 O\n0.915985 0.083758 0.804481 O\n0.420870 0.222454 0.628631 O\n0.143979 0.764250 0.574808 O\n",
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"elements": [
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],
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"formula_full": "Ni2 Bi2 As2 O10",
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"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-86025",
"created_at": "2022-09-04T14:36:06.348479Z",
"updated_at": "2022-09-04T14:36:06.348489Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071000 0.015877 -1.672564\n-1.520114 6.324857 -2.366398\n-0.048005 -0.004578 6.978113\nMn V Bi O\n2 2 2 10\ndirect\n0.324533 0.361696 0.224934 Mn\n0.675469 0.638305 0.775066 Mn\n0.654902 0.182090 0.885174 V\n0.345100 0.817911 0.114827 V\n0.089230 0.758414 0.524609 Bi\n0.910772 0.241587 0.475391 Bi\n0.228614 0.649589 0.224760 O\n0.429389 0.086113 0.293951 O\n0.632609 0.757791 0.073511 O\n0.570613 0.913888 0.706050 O\n0.727925 0.500445 0.444635 O\n0.771388 0.350412 0.775240 O\n0.915694 0.217065 0.132953 O\n0.084309 0.782936 0.867047 O\n0.367393 0.242210 0.926489 O\n0.272077 0.499556 0.555365 O\n",
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"elements": [
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"density_atomic": 0.07161808071337719,
"volume": 223.40727146868986,
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"formula_full": "Mn2 V2 Bi2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-48202",
"created_at": "2022-09-04T14:37:56.995457Z",
"updated_at": "2022-09-04T14:37:56.995488Z",
"structure_string": "Li2 V2 P2 O10\n1.0\n0.000000 5.842740 0.000000\n-7.313700 2.921371 0.117111\n-0.810019 0.000000 4.903661\nLi V P O\n2 2 2 10\ndirect\n0.135994 0.728012 0.052249 Li\n0.864006 0.271988 0.947751 Li\n0.221100 0.000000 0.500000 V\n0.778899 0.000000 0.500000 V\n0.642037 0.715924 0.719522 P\n0.357963 0.284076 0.280478 P\n0.376115 0.805691 0.823898 O\n0.818193 0.805691 0.823898 O\n0.051764 0.896473 0.315779 O\n0.581795 0.836410 0.415294 O\n0.744389 0.511221 0.755517 O\n0.255611 0.488779 0.244483 O\n0.418205 0.163590 0.584705 O\n0.948236 0.103527 0.684221 O\n0.181807 0.194309 0.176102 O\n0.623884 0.194309 0.176102 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.6832717768360763,
"density_atomic": 0.07655897269204726,
"volume": 208.98922017094984,
"volume_molar": 7.86601563245057,
"formula_full": "Li2 V2 P2 O10",
"formula_reduced": "LiVPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-96962",
"created_at": "2022-09-04T14:36:41.606163Z",
"updated_at": "2022-09-04T14:36:41.606193Z",
"structure_string": "Na2 Np2 C2 O10\n1.0\n4.382254 0.000001 0.000027\n0.000002 4.893038 -0.000000\n0.000052 0.000000 10.391503\nNa Np C O\n2 2 2 10\ndirect\n0.785137 0.500000 0.245259 Na\n0.214868 0.000000 0.745260 Na\n0.273846 0.500001 0.502761 Np\n0.726149 -0.000001 0.002763 Np\n0.342899 0.499999 0.999023 C\n0.657101 -0.000000 0.499023 C\n0.214665 0.265496 0.989187 O\n0.785332 0.234504 0.489188 O\n0.744162 -0.000000 0.181386 O\n0.255823 0.500000 0.681382 O\n0.284239 0.500000 0.322836 O\n0.362025 -0.000000 0.520360 O\n0.785331 0.765497 0.489188 O\n0.637977 0.500000 0.020362 O\n0.715765 -0.000000 0.822835 O\n0.214665 0.734504 0.989187 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.246433014314892,
"density_atomic": 0.07180678469231033,
"volume": 222.82017038584118,
"volume_molar": 8.386590188941993,
"formula_full": "Na2 Np2 C2 O10",
"formula_reduced": "NaNpCO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 3.2681470625000006,
"spacegroup": 31
},
{
"id": "jvasp-9509",
"created_at": "2022-09-04T14:37:17.962236Z",
"updated_at": "2022-09-04T14:37:17.962262Z",
"structure_string": "Mg2 Fe2 Si2 O10\n1.0\n5.015743 -0.288344 0.107276\n-1.486464 5.163625 -0.059771\n-1.448185 -2.234944 6.155539\nMg Fe Si O\n2 2 2 10\ndirect\n0.363851 0.215928 0.779175 Mg\n0.644651 0.773924 0.249921 Mg\n0.004249 0.494920 0.514557 Fe\n0.004253 0.494923 0.014557 Fe\n0.700083 0.817515 0.757848 Si\n0.308417 0.172333 0.271262 Si\n0.703064 0.632164 0.920914 O\n0.990778 0.850864 0.668321 O\n0.305433 0.357681 0.108195 O\n0.017717 0.138981 0.360787 O\n0.597804 0.291359 0.487150 O\n0.304802 0.865653 0.134503 O\n0.410694 0.698486 0.541964 O\n0.703694 0.124192 0.894609 O\n0.898485 0.549451 0.263918 O\n0.110013 0.440393 0.765195 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.9754172278775357,
"density_atomic": 0.10174872940339567,
"volume": 157.25012089896455,
"volume_molar": 5.918639766128639,
"formula_full": "Mg2 Fe2 Si2 O10",
"formula_reduced": "MgFeSiO5",
"formula_anonymous": "ABCD5",
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},
{
"id": "jvasp-86693",
"created_at": "2022-09-04T14:36:07.582389Z",
"updated_at": "2022-09-04T14:36:07.582402Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935581 -0.000164 3.361161\n2.967387 5.978206 1.681003\n0.022136 0.000483 6.882291\nRb La Si C N\n1 1 1 4 8\ndirect\n-0.000037 -0.000000 0.000002 Rb\n0.750004 0.500000 0.500000 La\n0.250000 0.499997 0.499994 Si\n0.558524 0.082547 0.543923 C\n0.897544 0.543969 0.917443 C\n0.358948 0.456035 0.082553 C\n0.184995 0.917453 0.456076 C\n0.516968 0.389986 0.898177 N\n0.994589 0.469720 0.722473 N\n0.282965 0.722447 0.530255 N\n0.535662 0.277559 0.469745 N\n0.092988 0.101872 0.390102 N\n0.584958 0.898126 0.609899 N\n0.186775 0.530280 0.277521 N\n0.805121 0.610016 0.101826 N\n",
"nsites": 15,
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"elements": [
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"La",
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"C",
"N"
],
"chemical_system": "C-La-N-Rb-Si",
"density": 2.810281057426221,
"density_atomic": 0.06153325423905445,
"volume": 243.77062753296855,
"volume_molar": 9.786806881047122,
"formula_full": "Rb1 La1 Si1 C4 N8",
"formula_reduced": "RbLaSi(CN2)4",
"formula_anonymous": "ABCD4E8",
"energy_above_hull": 5.713009306666668,
"spacegroup": 82
}
]
}