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=4559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4557",
"results": [
{
"id": "jvasp-98161",
"created_at": "2022-09-04T14:35:41.742684Z",
"updated_at": "2022-09-04T14:35:41.742711Z",
"structure_string": "V4 H16 N4 O12\n1.0\n4.809879 0.000000 -0.000000\n0.000000 11.827434 0.000000\n0.000000 0.000000 5.826388\nV H N O\n4 16 4 12\ndirect\n0.456667 0.326632 0.750000 V\n0.543333 0.673367 0.250000 V\n0.456667 0.173367 0.250000 V\n0.543333 0.826632 0.750000 V\n0.945205 0.362640 0.393049 H\n0.054796 0.637359 0.893049 H\n0.054796 0.862640 0.106952 H\n0.054796 0.637359 0.606952 H\n0.945205 0.362640 0.106952 H\n0.054796 0.862640 0.393049 H\n0.945205 0.137360 0.893049 H\n0.945205 0.137360 0.606952 H\n0.112362 0.468153 0.250000 H\n0.887638 0.968153 0.250000 H\n0.112362 0.031847 0.750000 H\n0.247725 0.540492 0.750000 H\n0.752275 0.459508 0.250000 H\n0.887638 0.531847 0.750000 H\n0.247725 0.959507 0.250000 H\n0.752275 0.040492 0.750000 H\n0.939628 0.413963 0.250000 N\n0.060372 0.586037 0.750000 N\n0.939628 0.086037 0.750000 N\n0.060372 0.913963 0.250000 N\n0.424256 0.750000 0.500000 O\n0.112075 0.329446 0.750000 O\n0.887925 0.670554 0.250000 O\n0.112075 0.170554 0.250000 O\n0.887925 0.829446 0.750000 O\n0.566848 0.461494 0.750000 O\n0.433152 0.538506 0.250000 O\n0.566848 0.038506 0.250000 O\n0.433152 0.961493 0.750000 O\n0.575744 0.250000 0.500000 O\n0.424256 0.750000 0.000000 O\n0.575744 0.250000 0.000000 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"V",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-V",
"density": 2.344173692575915,
"density_atomic": 0.10861215078706725,
"volume": 331.45462767400255,
"volume_molar": 5.544628953906209,
"formula_full": "V4 H16 N4 O12",
"formula_reduced": "VH4NO3",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.4070842166666666,
"spacegroup": 57
},
{
"id": "jvasp-98123",
"created_at": "2022-09-04T14:35:43.375281Z",
"updated_at": "2022-09-04T14:35:43.375301Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.905885 0.000000 0.000000\n0.000000 5.699744 -0.000000\n0.000000 -0.000000 6.861721\nH Cl O\n12 4 20\ndirect\n0.211685 0.250000 0.613349 H\n0.711684 0.250000 0.886650 H\n0.788315 0.749999 0.386650 H\n0.288315 0.749999 0.113349 H\n0.819019 0.250000 0.672441 H\n0.899660 0.250000 0.904386 H\n0.319019 0.250000 0.827558 H\n0.399660 0.250000 0.595614 H\n0.100340 0.749999 0.095614 H\n0.180980 0.749999 0.327558 H\n0.600339 0.749999 0.404386 H\n0.680980 0.749999 0.172442 H\n0.562422 0.749999 0.813543 Cl\n0.062422 0.749999 0.686457 Cl\n0.937577 0.250000 0.313543 Cl\n0.437577 0.250000 0.186457 Cl\n0.073089 0.542156 0.809176 O\n0.310428 0.250000 0.678384 O\n0.810428 0.250000 0.821615 O\n0.426911 0.042156 0.309176 O\n0.926910 0.457844 0.190824 O\n0.573089 0.542156 0.690824 O\n0.073089 0.957843 0.809176 O\n0.573089 0.957843 0.690824 O\n0.426911 0.457844 0.309176 O\n0.309629 0.250000 0.047803 O\n0.421073 0.749999 0.920694 O\n0.921073 0.749999 0.579305 O\n0.578926 0.250000 0.079305 O\n0.078926 0.250000 0.420695 O\n0.690371 0.749999 0.952197 O\n0.190371 0.749999 0.547803 O\n0.189572 0.749999 0.178384 O\n0.809628 0.250000 0.452197 O\n0.926910 0.042156 0.190824 O\n0.689571 0.749999 0.321616 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.259258849840565,
"density_atomic": 0.10335631391429467,
"volume": 348.3096352473637,
"volume_molar": 5.826582365344115,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.571302396388889,
"spacegroup": 62
},
{
"id": "jvasp-98253",
"created_at": "2022-09-04T14:35:43.909033Z",
"updated_at": "2022-09-04T14:35:43.909056Z",
"structure_string": "Be12 F24\n1.0\n8.931400 0.026216 -0.596878\n-0.639839 8.908490 -0.596878\n0.024329 0.026216 8.951288\nBe F\n12 24\ndirect\n0.123680 0.672092 0.898076 Be\n0.123680 0.898077 0.672091 Be\n0.876320 0.327909 0.101924 Be\n0.898076 0.672092 0.123680 Be\n0.876320 0.101924 0.327909 Be\n0.672091 0.898077 0.123679 Be\n0.101924 0.876320 0.327909 Be\n0.672091 0.123681 0.898076 Be\n0.327909 0.101924 0.876320 Be\n0.898076 0.123681 0.672091 Be\n0.327909 0.876320 0.101924 Be\n0.101924 0.327909 0.876320 Be\n-0.000000 0.734914 0.265086 F\n0.120974 0.745183 0.745182 F\n0.020279 0.289290 0.020279 F\n0.500000 0.870957 0.129043 F\n0.000000 0.265086 0.734914 F\n0.745183 0.120974 0.745182 F\n0.734914 0.265086 -0.000000 F\n0.289290 0.020279 0.020279 F\n0.879026 0.254818 0.254817 F\n0.265086 0.734914 -0.000000 F\n0.500000 0.129043 0.870957 F\n0.265086 0.000000 0.734914 F\n0.870957 0.129043 0.500000 F\n0.254818 0.879027 0.254817 F\n0.710710 0.979722 0.979721 F\n0.254818 0.254818 0.879026 F\n0.979721 0.710710 0.979721 F\n0.129043 0.870957 0.500000 F\n0.734914 0.000000 0.265086 F\n0.870957 0.500000 0.129043 F\n0.745182 0.745183 0.120973 F\n0.020279 0.020279 0.289290 F\n0.979721 0.979722 0.710709 F\n0.129043 0.500000 0.870957 F\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Be",
"F"
],
"chemical_system": "Be-F",
"density": 1.3144395684785515,
"density_atomic": 0.05051633979403186,
"volume": 712.6407049042207,
"volume_molar": 11.921173989552331,
"formula_full": "Be12 F24",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0037233333333333,
"spacegroup": 166
},
{
"id": "jvasp-96930",
"created_at": "2022-09-04T14:35:47.441271Z",
"updated_at": "2022-09-04T14:35:47.441298Z",
"structure_string": "Dy20 Si16\n1.0\n7.416217 -0.000000 0.000000\n-0.000000 7.703509 0.000000\n0.000000 0.000000 14.565951\nDy Si\n20 16\ndirect\n0.650748 0.988242 0.750000 Dy\n0.680301 0.820814 0.376971 Dy\n0.180301 0.679186 0.123029 Dy\n0.319700 0.179186 0.876971 Dy\n0.319700 0.179186 0.623029 Dy\n0.819700 0.320814 0.876971 Dy\n0.180301 0.679186 0.376971 Dy\n0.680301 0.820814 0.123029 Dy\n0.974398 0.817240 0.597774 Dy\n0.474398 0.682760 0.902226 Dy\n0.819700 0.320814 0.623029 Dy\n0.025602 0.182760 0.097774 Dy\n0.025602 0.182760 0.402226 Dy\n0.525602 0.317240 0.097774 Dy\n0.474398 0.682760 0.597774 Dy\n0.974398 0.817240 0.902226 Dy\n0.349253 0.011758 0.250000 Dy\n0.849253 0.488242 0.250000 Dy\n0.150747 0.511758 0.750000 Dy\n0.525602 0.317240 0.402226 Dy\n0.650243 0.029017 0.539772 Si\n0.150243 0.470983 0.960228 Si\n0.150243 0.470983 0.539772 Si\n0.650243 0.029017 0.960228 Si\n0.349757 0.970983 0.460228 Si\n0.849758 0.529018 0.039772 Si\n0.976766 0.896191 0.250000 Si\n0.230826 0.371325 0.250000 Si\n0.523234 0.396191 0.750000 Si\n0.023234 0.103809 0.750000 Si\n0.730826 0.128675 0.250000 Si\n0.269174 0.871325 0.750000 Si\n0.769174 0.628675 0.750000 Si\n0.349757 0.970983 0.039772 Si\n0.476766 0.603809 0.250000 Si\n0.849758 0.529018 0.460228 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Dy",
"Si"
],
"chemical_system": "Dy-Si",
"density": 7.3818763316318305,
"density_atomic": 0.043260609403147486,
"volume": 832.1658084960026,
"volume_molar": 13.920610095617032,
"formula_full": "Dy20 Si16",
"formula_reduced": "Dy5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.491180766666666,
"spacegroup": 62
},
{
"id": "jvasp-97529",
"created_at": "2022-09-04T14:35:43.156796Z",
"updated_at": "2022-09-04T14:35:43.156824Z",
"structure_string": "Li2 Nd2 P8 O24\n1.0\n6.424406 0.000000 2.750081\n2.292592 8.011532 3.523326\n-0.043437 -0.137216 8.980475\nLi Nd P O\n2 2 8 24\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.218405 0.250000 0.750000 Nd\n0.781595 0.750000 0.250000 Nd\n0.436294 0.161687 0.102349 P\n0.700330 0.338313 0.397651 P\n0.563706 0.838312 0.897651 P\n0.299670 0.661687 0.602349 P\n0.325515 0.410730 0.286681 P\n0.022926 0.089270 0.213319 P\n0.674485 0.589269 0.713319 P\n0.977074 0.910730 0.786681 P\n0.999922 0.203966 0.043477 O\n0.240480 0.085461 0.238047 O\n0.563988 0.414539 0.261953 O\n0.156793 0.551266 0.655678 O\n0.363737 0.948733 0.844323 O\n0.843207 0.448733 0.344322 O\n0.636263 0.051266 0.155678 O\n0.156607 0.841413 0.634521 O\n0.632541 0.658586 0.865479 O\n0.000078 0.796033 0.956523 O\n0.367459 0.341413 0.134521 O\n0.436280 0.196781 0.926701 O\n0.559762 0.303218 0.573299 O\n0.563720 0.803218 0.073300 O\n0.440238 0.696781 0.426701 O\n0.436012 0.585461 0.738047 O\n0.759520 0.914538 0.761953 O\n0.171512 0.582078 0.262520 O\n0.016111 0.917921 0.237480 O\n0.828488 0.417921 0.737480 O\n-0.016111 0.082078 0.762520 O\n0.247365 0.296034 0.456523 O\n0.752635 0.703965 0.543477 O\n0.843393 0.158586 0.365479 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Nd",
"P",
"O"
],
"chemical_system": "Li-Nd-O-P",
"density": 3.3328802912597904,
"density_atomic": 0.07735000764346206,
"volume": 465.41689001426835,
"volume_molar": 7.785572288187118,
"formula_full": "Li2 Nd2 P8 O24",
"formula_reduced": "LiNd(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.875831972222222,
"spacegroup": 15
},
{
"id": "jvasp-97604",
"created_at": "2022-09-04T14:35:44.224820Z",
"updated_at": "2022-09-04T14:35:44.224850Z",
"structure_string": "Ca2 Cu2 H8 C8 O16\n1.0\n6.449989 0.052914 0.000000\n-0.901024 7.249171 0.000000\n0.000000 0.000000 8.337046\nCa Cu H C O\n2 2 8 8 16\ndirect\n0.750000 -0.000000 0.136462 Ca\n0.250000 -0.000000 0.863538 Ca\n0.750000 0.499999 0.405196 Cu\n0.250000 0.500000 0.594805 Cu\n0.722825 0.847186 0.552689 H\n0.777176 0.152813 0.552689 H\n0.907134 0.433103 0.846414 H\n0.222825 0.847186 0.447311 H\n0.277176 0.152813 0.447311 H\n0.092867 0.566896 0.153586 H\n0.407134 0.433103 0.153586 H\n0.592867 0.566896 0.846414 H\n0.504018 0.318125 0.142765 C\n0.629767 0.191055 0.602437 C\n0.870234 0.808944 0.602437 C\n0.370234 0.808944 0.397564 C\n0.495983 0.681874 0.857235 C\n0.004018 0.318125 0.857235 C\n0.129767 0.191055 0.397564 C\n0.995983 0.681874 0.142765 C\n0.037505 0.805906 0.038919 O\n0.913899 0.644711 0.571321 O\n0.158739 0.314812 0.761702 O\n0.086101 0.355288 0.428680 O\n0.413899 0.644712 0.428680 O\n0.537505 0.805906 0.961081 O\n0.586101 0.355288 0.571321 O\n0.658739 0.314812 0.238298 O\n0.841261 0.685187 0.238298 O\n0.341261 0.685188 0.761702 O\n0.462496 0.194093 0.038919 O\n0.016766 0.075845 0.316090 O\n0.983235 0.924154 0.683910 O\n0.516766 0.075845 0.683910 O\n0.962496 0.194093 0.961081 O\n0.483235 0.924154 0.316090 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-Cu-H-O",
"density": 2.4144974381375124,
"density_atomic": 0.09225722199835147,
"volume": 390.2133537105992,
"volume_molar": 6.527554840213603,
"formula_full": "Ca2 Cu2 H8 C8 O16",
"formula_reduced": "CaCuH4(CO2)4",
"formula_anonymous": "ABC4D4E8",
"energy_above_hull": 3.623857159444444,
"spacegroup": 13
},
{
"id": "jvasp-97459",
"created_at": "2022-09-04T14:35:46.164900Z",
"updated_at": "2022-09-04T14:35:46.164916Z",
"structure_string": "K4 V4 S4 O24\n1.0\n5.416145 0.000000 0.000000\n0.000000 8.219476 0.000000\n0.000000 0.000000 11.126794\nK V S O\n4 4 4 24\ndirect\n0.276901 0.439174 0.887472 K\n0.776902 0.560826 0.612527 K\n0.723099 0.060826 0.387473 K\n0.223099 0.939175 0.112527 K\n0.293447 0.904182 0.687710 V\n0.793447 0.095819 0.812290 V\n0.206554 0.404181 0.312290 V\n0.706554 0.595819 0.187710 V\n0.211839 0.800645 0.459644 S\n0.288161 0.300645 0.540356 S\n0.788162 0.699356 0.959644 S\n0.711840 0.199356 0.040356 S\n0.256912 0.234596 0.242295 O\n0.539280 0.119842 0.946843 O\n0.878282 0.864184 0.938164 O\n0.743088 0.265404 0.742295 O\n0.378281 0.135816 0.561836 O\n0.765344 0.598958 0.852991 O\n0.121719 0.635816 0.438164 O\n0.104430 0.046365 0.762871 O\n0.604431 0.953635 0.737128 O\n0.243088 0.734596 0.757705 O\n0.048408 0.301726 0.467551 O\n0.451592 0.801726 0.532448 O\n0.265343 0.401043 0.647008 O\n0.951593 0.198274 0.967551 O\n0.548409 0.698274 0.032449 O\n0.756913 0.765404 0.257705 O\n0.621720 0.364184 0.061836 O\n0.395570 0.546366 0.237128 O\n0.734658 0.098958 0.147008 O\n0.039280 0.880158 0.553157 O\n0.895571 0.453635 0.262872 O\n0.960721 0.619842 0.053157 O\n0.234657 0.901043 0.352991 O\n0.460721 0.380158 0.446843 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"V",
"S",
"O"
],
"chemical_system": "K-O-S-V",
"density": 2.9245744520176915,
"density_atomic": 0.07267717517057735,
"volume": 495.34121153589155,
"volume_molar": 8.286151389161319,
"formula_full": "K4 V4 S4 O24",
"formula_reduced": "KVSO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.3756670222222223,
"spacegroup": 19
},
{
"id": "jvasp-62191",
"created_at": "2022-09-04T14:35:42.956064Z",
"updated_at": "2022-09-04T14:35:42.956099Z",
"structure_string": "Cu4 As16 S12 Cl4\n1.0\n7.240151 -0.000000 0.000000\n0.000000 10.915253 0.000000\n0.000000 0.000000 11.090309\nCu As S Cl\n4 16 12 4\ndirect\n0.500000 0.301246 0.750000 Cu\n0.000000 0.698754 0.250000 Cu\n0.500000 0.698754 0.250000 Cu\n0.000000 0.301246 0.750000 Cu\n0.750000 0.250569 0.220523 As\n0.250000 0.749431 0.779477 As\n0.250000 0.250569 0.279477 As\n0.424646 0.637453 0.943177 As\n0.924646 0.362547 0.056823 As\n0.075354 0.362547 0.443177 As\n0.575354 0.637453 0.556823 As\n0.750000 0.749431 0.720523 As\n0.075354 0.637453 0.943177 As\n0.924646 0.637453 0.556823 As\n0.424646 0.362547 0.443177 As\n0.750000 0.064716 0.944760 As\n0.250000 0.935283 0.055240 As\n0.750000 0.935283 0.444760 As\n0.250000 0.064716 0.555240 As\n0.575354 0.362547 0.056823 As\n0.492098 0.796649 0.070539 S\n0.992098 0.203351 0.929461 S\n0.007902 0.203351 0.570539 S\n0.507902 0.796649 0.429461 S\n0.507902 0.203351 0.929461 S\n0.007902 0.796649 0.070539 S\n0.750000 0.055293 0.149739 S\n0.492098 0.203351 0.570539 S\n0.250000 0.944707 0.850262 S\n0.750000 0.944707 0.649739 S\n0.250000 0.055293 0.350261 S\n0.992098 0.796649 0.429461 S\n0.750000 0.554668 0.236733 Cl\n0.750000 0.445332 0.736733 Cl\n0.250000 0.554668 0.263267 Cl\n0.250000 0.445332 0.763267 Cl\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Cu",
"As",
"S",
"Cl"
],
"chemical_system": "As-Cl-Cu-S",
"density": 3.7504576465228223,
"density_atomic": 0.04107498596150814,
"volume": 876.4458260250175,
"volume_molar": 14.661333702325352,
"formula_full": "Cu4 As16 S12 Cl4",
"formula_reduced": "CuAs4S3Cl",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.897545724166667,
"spacegroup": 57
},
{
"id": "jvasp-63195",
"created_at": "2022-09-04T14:35:46.000551Z",
"updated_at": "2022-09-04T14:35:46.000591Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.957917246966626,
"density_atomic": 0.10021096849344167,
"volume": 359.24211232781397,
"volume_molar": 6.009462687105075,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-88512",
"created_at": "2022-09-04T14:35:46.315073Z",
"updated_at": "2022-09-04T14:35:46.315102Z",
"structure_string": "Nb8 Fe4 O24\n1.0\n5.066962 -0.000000 0.000000\n-0.000000 5.627102 0.000000\n0.000000 0.000000 13.751896\nNb Fe O\n8 4 24\ndirect\n0.721965 0.183988 0.844457 Nb\n0.278034 0.816012 0.155543 Nb\n0.778034 0.683988 0.344457 Nb\n0.221965 0.816012 0.844457 Nb\n0.221965 0.316012 0.655543 Nb\n0.278034 0.316012 0.344457 Nb\n0.778034 0.183988 0.155543 Nb\n0.721965 0.683988 0.655543 Nb\n0.750000 0.136921 0.500000 Fe\n0.250000 0.863078 0.500000 Fe\n0.750000 0.636921 0.000000 Fe\n0.250000 0.363079 0.000000 Fe\n0.391566 0.118011 0.913037 O\n0.075993 0.615514 0.072103 O\n0.575993 0.884485 0.427897 O\n0.424006 0.615514 0.927897 O\n0.924006 0.884485 0.572103 O\n0.891565 0.381988 0.586963 O\n0.946014 0.387502 0.256956 O\n0.108434 0.618011 0.413037 O\n0.446015 0.112498 0.243044 O\n0.553985 0.387502 0.743045 O\n0.053985 0.112498 0.756956 O\n0.053985 0.612498 0.743045 O\n0.553985 0.887502 0.756956 O\n0.446015 0.612498 0.256956 O\n0.108434 0.118011 0.086963 O\n0.946014 0.887502 0.243044 O\n0.424006 0.115514 0.572103 O\n0.575993 0.384486 0.072103 O\n0.075993 0.115514 0.427897 O\n0.891565 0.881988 0.913037 O\n0.391566 0.618011 0.586963 O\n0.608434 0.881988 0.086963 O\n0.924006 0.384486 0.927897 O\n0.608434 0.381988 0.413037 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Nb-O",
"density": 5.71987027782809,
"density_atomic": 0.09181369943297112,
"volume": 392.0983494002648,
"volume_molar": 6.559087366255712,
"formula_full": "Nb8 Fe4 O24",
"formula_reduced": "Nb2FeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5373761444444445,
"spacegroup": 60
},
{
"id": "jvasp-62733",
"created_at": "2022-09-04T14:35:45.454643Z",
"updated_at": "2022-09-04T14:35:45.454653Z",
"structure_string": "B4 Pb12 O16 F4\n1.0\n6.501188 0.000000 0.000000\n-0.000000 7.683158 0.000000\n0.000000 0.000000 12.110200\nB Pb O F\n4 12 16 4\ndirect\n0.250000 0.978322 0.500000 B\n0.750000 0.021678 0.000000 B\n0.750000 0.021678 0.500000 B\n0.250000 0.978322 0.000000 B\n0.450762 0.891647 0.750000 Pb\n0.549238 0.108353 0.250000 Pb\n0.950763 0.108353 0.750000 Pb\n0.049238 0.891647 0.250000 Pb\n0.470564 0.333071 0.895031 Pb\n0.529436 0.666929 0.395031 Pb\n0.970565 0.666929 0.604969 Pb\n0.470564 0.333071 0.604969 Pb\n0.529436 0.666929 0.104969 Pb\n0.970565 0.666929 0.895031 Pb\n0.029436 0.333071 0.395031 Pb\n0.029436 0.333071 0.104969 Pb\n0.203405 0.067813 0.096361 O\n0.750000 0.202666 0.000000 O\n0.250000 0.797334 0.500000 O\n0.250000 0.797334 0.000000 O\n0.750000 0.202666 0.500000 O\n0.703405 0.932187 0.403639 O\n0.296595 0.067813 0.903639 O\n0.796595 0.932187 0.596361 O\n0.090068 0.806360 0.750000 O\n0.703405 0.932187 0.096361 O\n0.796595 0.932187 0.903639 O\n0.203405 0.067813 0.403639 O\n0.590068 0.193640 0.750000 O\n0.409932 0.806360 0.250000 O\n0.909932 0.193640 0.250000 O\n0.296595 0.067813 0.596361 O\n0.804906 0.578113 0.250000 F\n0.304906 0.421887 0.250000 F\n0.695094 0.578113 0.750000 F\n0.195094 0.421887 0.750000 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"B",
"Pb",
"O",
"F"
],
"chemical_system": "B-F-O-Pb",
"density": 7.855583893834854,
"density_atomic": 0.05951393904290164,
"volume": 604.9003070364538,
"volume_molar": 10.1188744298354,
"formula_full": "B4 Pb12 O16 F4",
"formula_reduced": "BPb3O4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.7278510362037038,
"spacegroup": 57
},
{
"id": "jvasp-62327",
"created_at": "2022-09-04T14:35:42.848609Z",
"updated_at": "2022-09-04T14:35:42.848627Z",
"structure_string": "Na2 Al2 B2 P4 H6 O20\n1.0\n4.001468 5.214294 -0.002673\n-4.001468 5.214294 -0.002673\n0.000000 4.126659 8.072413\nNa Al B P H O\n2 2 2 4 6 20\ndirect\n0.135133 0.864866 0.250000 Na\n0.864866 0.135134 0.750000 Na\n-0.000000 0.500000 0.000000 Al\n0.500000 -0.000000 0.500000 Al\n0.530917 0.469082 0.250000 B\n0.469082 0.530917 0.750000 B\n0.289867 0.156529 0.819333 P\n0.843470 0.710132 0.680667 P\n0.156529 0.289867 0.319334 P\n0.710132 0.843470 0.180667 P\n-0.000000 0.500000 0.500000 H\n0.314005 0.676276 0.565538 H\n0.676276 0.314004 0.065538 H\n0.685995 0.323723 0.434462 H\n0.323723 0.685995 0.934462 H\n0.500000 -0.000000 0.000000 H\n0.635303 0.042467 0.043492 O\n0.957532 0.364696 0.456508 O\n0.364696 0.957532 0.956508 O\n0.042467 0.635303 0.543492 O\n0.933291 0.715287 0.108885 O\n0.284712 0.066708 0.391116 O\n0.066708 0.284712 0.891115 O\n0.715287 0.933291 0.608885 O\n0.078805 0.274495 0.184841 O\n0.274495 0.078805 0.684841 O\n0.921195 0.725504 0.815160 O\n0.528204 0.689193 0.256572 O\n0.310806 0.471795 0.243428 O\n0.689193 0.528204 0.756572 O\n0.432700 0.700661 0.597640 O\n0.299339 0.567299 0.902360 O\n0.567299 0.299338 0.402360 O\n0.700661 0.432700 0.097641 O\n0.725504 0.921194 0.315160 O\n0.471795 0.310806 0.743428 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Na",
"Al",
"B",
"P",
"H",
"O"
],
"chemical_system": "Al-B-H-Na-O-P",
"density": 2.816435022474888,
"density_atomic": 0.10684162222791944,
"volume": 336.94733615334997,
"volume_molar": 5.636511908395863,
"formula_full": "Na2 Al2 B2 P4 H6 O20",
"formula_reduced": "NaAlBP2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy_above_hull": 2.895651687962962,
"spacegroup": 15
}
]
}