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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4543",
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"results": [
{
"id": "jvasp-12901",
"created_at": "2022-09-04T14:38:14.287566Z",
"updated_at": "2022-09-04T14:38:14.287591Z",
"structure_string": "Zr6 C1 I12\n1.0\n8.687586 -0.007760 -2.684217\n-3.636678 7.889793 -2.684208\n-0.004969 -0.007767 9.092807\nZr C I\n6 1 12\ndirect\n0.971961 0.910534 0.727401 Zr\n0.910535 0.727401 0.971960 Zr\n0.727401 0.971960 0.910534 Zr\n0.028039 0.089465 0.272598 Zr\n0.089465 0.272598 0.028039 Zr\n0.272598 0.028039 0.089465 Zr\n0.000000 0.000000 0.000000 C\n0.079742 0.229916 0.688755 I\n0.311244 0.920257 0.770084 I\n0.770084 0.311244 0.920257 I\n0.920258 0.770084 0.311244 I\n0.451363 0.376114 0.147665 I\n0.548636 0.623886 0.852335 I\n0.852335 0.548636 0.623886 I\n0.229916 0.688755 0.079742 I\n0.376114 0.147665 0.451363 I\n0.147665 0.451363 0.376114 I\n0.623886 0.852334 0.548636 I\n0.688755 0.079742 0.229916 I\n",
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{
"id": "jvasp-113070",
"created_at": "2022-09-04T14:38:46.519732Z",
"updated_at": "2022-09-04T14:38:46.519756Z",
"structure_string": "Nd4 Si4 Pb2 S16\n1.0\n8.121968 -0.060235 3.734761\n3.091138 7.510983 3.734761\n-0.041470 -0.027556 10.165764\nNd Si Pb S\n4 4 2 16\ndirect\n0.060640 0.254122 0.750497 Nd\n0.441588 0.560706 0.754803 Nd\n0.254123 0.060639 0.250497 Nd\n0.560707 0.441587 0.254803 Nd\n0.646231 0.176557 0.020238 Si\n0.176558 0.646230 0.520238 Si\n0.325961 0.851345 0.980433 Si\n0.851347 0.325959 0.480433 Si\n0.913103 0.753797 0.241043 Pb\n0.753799 0.913101 0.741043 Pb\n0.099098 0.569414 0.761360 S\n0.569415 0.099097 0.261360 S\n0.796007 0.532704 0.569561 S\n0.072541 0.103305 0.548663 S\n0.615220 0.272677 0.566492 S\n0.532705 0.796005 0.069561 S\n0.272678 0.615219 0.066492 S\n0.423625 0.236281 0.952756 S\n0.236282 0.423624 0.452756 S\n0.983689 0.877448 0.420220 S\n0.408450 0.709326 0.444205 S\n0.397241 0.918920 0.739726 S\n0.709328 0.408449 0.944205 S\n0.877451 0.983687 0.920220 S\n0.103306 0.072541 0.048664 S\n0.918922 0.397239 0.239726 S\n",
"nsites": 26,
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"elements": [
"Nd",
"Si",
"Pb",
"S"
],
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"density": 4.304193520679364,
"density_atomic": 0.04168436310301439,
"volume": 623.7350906800785,
"volume_molar": 14.447001973179987,
"formula_full": "Nd4 Si4 Pb2 S16",
"formula_reduced": "Nd2Si2PbS8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.254485463076923,
"spacegroup": 9
},
{
"id": "jvasp-32108",
"created_at": "2022-09-04T14:37:56.160831Z",
"updated_at": "2022-09-04T14:37:56.160853Z",
"structure_string": "Zr6 B1 I12\n1.0\n7.334550 4.234614 3.349153\n-7.334559 4.234600 3.349153\n0.000007 -8.469214 3.349153\nZr B I\n6 1 12\ndirect\n0.719541 0.969841 0.906925 Zr\n0.093074 0.280458 0.030158 Zr\n0.030158 0.093074 0.280458 Zr\n0.969841 0.906925 0.719541 Zr\n0.906925 0.719541 0.969841 Zr\n0.280458 0.030158 0.093074 Zr\n0.000000 0.000000 0.000000 B\n0.850864 0.546096 0.621968 I\n0.378031 0.149135 0.453903 I\n0.920747 0.770240 0.311919 I\n0.453903 0.378031 0.149135 I\n0.546096 0.621968 0.850864 I\n0.149135 0.453903 0.378031 I\n0.621968 0.850864 0.546096 I\n0.770240 0.311919 0.920747 I\n0.229759 0.688080 0.079252 I\n0.311919 0.920747 0.770240 I\n0.079252 0.229759 0.688080 I\n0.688080 0.079252 0.229759 I\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zr",
"B",
"I"
],
"chemical_system": "B-I-Zr",
"density": 5.536685963800044,
"density_atomic": 0.03044251379751169,
"volume": 624.1271705214115,
"volume_molar": 19.782008805370854,
"formula_full": "Zr6 B1 I12",
"formula_reduced": "Zr6BI12",
"formula_anonymous": "AB6C12",
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"spacegroup": 148
},
{
"id": "jvasp-95230",
"created_at": "2022-09-04T14:36:16.055765Z",
"updated_at": "2022-09-04T14:36:16.055794Z",
"structure_string": "K4 H12 Se8 O24\n1.0\n16.012339 0.000000 0.000000\n0.000000 6.176900 -0.000000\n0.000000 -0.000000 6.310571\nK H Se O\n4 12 8 24\ndirect\n0.500000 0.817717 0.750000 K\n0.000000 0.682283 0.250000 K\n0.500000 0.182283 0.250000 K\n0.000000 0.317717 0.750000 K\n0.500000 0.382422 0.750000 H\n0.000000 0.117578 0.250000 H\n0.500000 0.617578 0.250000 H\n0.000000 0.882422 0.750000 H\n0.174425 0.437532 0.465939 H\n0.325575 0.062468 0.965939 H\n0.674425 0.062468 0.534061 H\n0.825575 0.437532 0.034061 H\n0.825575 0.562468 0.534061 H\n0.674425 0.937532 0.034061 H\n0.325575 0.937532 0.465939 H\n0.174425 0.562468 0.965939 H\n0.348223 0.319107 0.701232 Se\n0.651777 0.319107 0.798768 Se\n0.848223 0.180893 0.298768 Se\n0.151777 0.180893 0.201232 Se\n0.651777 0.680893 0.298768 Se\n0.348223 0.680893 0.201232 Se\n0.151777 0.819107 0.701232 Se\n0.848223 0.819107 0.798768 Se\n0.710759 0.184862 0.596104 O\n0.789241 0.315138 0.096104 O\n0.789241 0.684862 0.596104 O\n0.710759 0.815138 0.096104 O\n0.289241 0.815138 0.403896 O\n0.210759 0.684862 0.903896 O\n0.064554 0.107251 0.353665 O\n0.435446 0.392749 0.853665 O\n0.564554 0.392749 0.646335 O\n0.935446 0.107251 0.146335 O\n0.935446 0.892749 0.646335 O\n0.435446 0.607250 0.353665 O\n0.064554 0.892749 0.853665 O\n0.111928 0.392115 0.064104 O\n0.388072 0.107885 0.564104 O\n0.611928 0.107885 0.935896 O\n0.888072 0.392115 0.435896 O\n0.888072 0.607885 0.935896 O\n0.611928 0.892115 0.435896 O\n0.388072 0.892115 0.064104 O\n0.111928 0.607885 0.564104 O\n0.289241 0.184862 0.903896 O\n0.564554 0.607250 0.146335 O\n0.210759 0.315138 0.403896 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"H",
"Se",
"O"
],
"chemical_system": "H-K-O-Se",
"density": 3.1503826665878294,
"density_atomic": 0.07690369971831665,
"volume": 624.1572274911962,
"volume_molar": 7.830755584006926,
"formula_full": "K4 H12 Se8 O24",
"formula_reduced": "KH3(SeO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.352977977777778,
"spacegroup": 60
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
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"elements": [
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"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
"formula_reduced": "Nb12ZnSe16",
"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-98390",
"created_at": "2022-09-04T14:36:21.006200Z",
"updated_at": "2022-09-04T14:36:21.006224Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.104686 0.000000 0.000000\n0.000000 8.085766 -4.658753\n0.000000 0.078873 9.483127\nRb Si O\n6 10 23\ndirect\n0.500000 0.260094 0.243420 Rb\n0.500000 0.772073 0.000000 Rb\n0.500000 0.016674 0.756581 Rb\n0.000000 0.769594 0.000000 Rb\n0.000000 0.253913 0.238708 Rb\n0.000000 0.015205 0.761292 Rb\n0.812321 0.702547 0.341066 Si\n0.690156 0.030883 0.406296 Si\n0.690156 0.624587 0.593704 Si\n0.701087 0.414490 0.000000 Si\n0.187680 0.361481 0.658935 Si\n0.309844 0.624587 0.593704 Si\n0.309844 0.030883 0.406296 Si\n0.812321 0.361481 0.658935 Si\n0.298914 0.414490 0.000000 Si\n0.187680 0.702547 0.341066 Si\n0.771471 0.439113 0.849128 O\n0.500000 0.640610 0.539878 O\n0.746370 0.009357 0.237194 O\n0.307188 0.436714 0.574023 O\n0.000000 0.774011 0.358872 O\n0.746370 0.772163 0.762806 O\n0.253631 0.772163 0.762806 O\n0.751480 0.250894 0.000000 O\n0.692813 0.436714 0.574023 O\n0.500000 0.443521 0.000000 O\n0.800057 0.161849 0.567636 O\n0.199943 0.594213 0.432364 O\n0.228529 0.439113 0.849128 O\n0.307188 0.862692 0.425978 O\n0.253631 0.009357 0.237194 O\n0.248521 0.250894 0.000000 O\n0.199943 0.161849 0.567636 O\n0.000000 0.415139 0.641129 O\n0.228529 0.589986 0.150873 O\n0.771471 0.589986 0.150873 O\n0.692813 0.862692 0.425978 O\n0.500000 0.100732 0.460123 O\n0.800057 0.594213 0.432364 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "O-Rb-Si",
"density": 3.0891465236662303,
"density_atomic": 0.06245676253118437,
"volume": 624.4319817334028,
"volume_molar": 9.642095612934105,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.627951448717948,
"spacegroup": 38
},
{
"id": "jvasp-116598",
"created_at": "2022-09-04T14:38:32.384343Z",
"updated_at": "2022-09-04T14:38:32.384371Z",
"structure_string": "Rb6 Mn2 Br10\n1.0\n8.109844 0.060829 -5.705495\n-2.152142 7.819307 -5.705495\n-0.045990 -0.060829 9.915651\nRb Mn Br\n6 2 10\ndirect\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.750000 -0.000001 Rb\n0.154299 0.654300 0.808597 Rb\n0.845700 0.345701 0.191402 Rb\n0.654299 0.845701 0.499999 Rb\n0.345701 0.154299 0.500000 Rb\n0.750000 0.250000 0.499999 Mn\n0.250000 0.750000 0.500000 Mn\n-0.002473 0.803264 0.500000 Br\n0.696736 0.502473 0.499999 Br\n0.502473 0.002473 0.805736 Br\n0.002473 0.196736 0.500000 Br\n0.803263 0.303264 0.805736 Br\n0.497526 -0.002473 0.194263 Br\n0.196736 0.696737 0.194263 Br\n0.000000 0.000000 0.000000 Br\n0.303264 0.497527 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n",
"nsites": 18,
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"elements": [
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"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.7804341826310175,
"density_atomic": 0.028823726838397283,
"volume": 624.485518507671,
"volume_molar": 20.89299830574878,
"formula_full": "Rb6 Mn2 Br10",
"formula_reduced": "Rb3MnBr5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-91440",
"created_at": "2022-09-04T14:35:50.606295Z",
"updated_at": "2022-09-04T14:35:50.606327Z",
"structure_string": "Sr4 Zn4 Se8 O24\n1.0\n4.450386 0.055130 0.000000\n-0.744941 9.253571 0.000000\n0.000000 0.000000 15.151905\nSr Zn Se O\n4 4 8 24\ndirect\n0.253337 0.533028 0.882540 Sr\n0.753338 0.033028 0.617460 Sr\n0.746664 0.466972 0.117460 Sr\n0.246664 0.966972 0.382540 Sr\n0.268279 0.787840 0.142161 Zn\n0.768279 0.287840 0.357839 Zn\n0.231722 0.712160 0.642161 Zn\n0.731722 0.212160 0.857840 Zn\n0.193110 0.573265 0.302232 Se\n0.245927 0.287590 0.504896 Se\n0.745927 0.787590 0.995104 Se\n0.754074 0.712410 0.495104 Se\n0.693111 0.073265 0.197768 Se\n0.254074 0.212410 0.004896 Se\n0.806891 0.426735 0.697769 Se\n0.306890 0.926735 0.802232 Se\n0.229653 0.390371 0.035866 O\n0.823098 0.771862 0.108204 O\n0.956550 0.266056 0.684127 O\n0.323098 0.271862 0.391797 O\n0.176903 0.228138 0.891797 O\n0.633202 0.040394 0.786889 O\n0.860421 0.292424 0.489593 O\n0.139581 0.707576 0.510407 O\n0.709199 0.413117 0.810694 O\n0.790803 0.086883 0.310693 O\n0.866799 0.459606 0.286889 O\n0.366799 0.959606 0.213112 O\n0.676904 0.728138 0.608204 O\n0.270348 0.109629 0.535866 O\n0.770349 0.609629 0.964135 O\n0.543452 0.233944 0.184127 O\n0.729653 0.890371 0.464134 O\n0.209198 0.913117 0.689307 O\n0.133202 0.540394 0.713112 O\n0.360420 0.792424 0.010407 O\n0.456550 0.766056 0.815873 O\n0.290803 0.586883 0.189307 O\n0.639581 0.207576 0.989594 O\n0.043451 0.733944 0.315873 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "O-Se-Sr-Zn",
"density": 4.32750988294615,
"density_atomic": 0.0640402217702889,
"volume": 624.6074559747665,
"volume_molar": 9.403685049063865,
"formula_full": "Sr4 Zn4 Se8 O24",
"formula_reduced": "SrZn(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6481554443333333,
"spacegroup": 14
},
{
"id": "jvasp-56745",
"created_at": "2022-09-04T14:38:33.971503Z",
"updated_at": "2022-09-04T14:38:33.971523Z",
"structure_string": "Na8 P4 Se12\n1.0\n7.984350 0.000000 0.000000\n0.000000 8.816386 -1.056415\n0.000000 -0.018465 8.879434\nNa P Se\n8 4 12\ndirect\n0.250000 0.278081 0.221919 Na\n0.750000 0.221919 0.278081 Na\n0.152724 0.815200 0.184801 Na\n0.847276 0.184801 0.815199 Na\n0.250000 0.778082 0.721919 Na\n0.347276 0.315200 0.684801 Na\n0.652724 0.684801 0.315200 Na\n0.750000 0.721920 0.778081 Na\n0.552533 0.920402 0.079599 P\n0.947467 0.420402 0.579599 P\n0.447467 0.079599 0.920401 P\n0.052533 0.579599 0.420401 P\n0.462361 0.000292 0.311319 Se\n0.537639 -0.000292 0.688680 Se\n0.537639 0.311320 0.000292 Se\n0.172369 0.055494 0.944506 Se\n0.962361 0.811320 0.500292 Se\n0.962361 0.499708 0.188681 Se\n0.462361 0.688681 -0.000292 Se\n0.672369 0.444507 0.555494 Se\n0.327632 0.555494 0.444507 Se\n0.037639 0.188681 0.499708 Se\n0.037639 0.500293 0.811320 Se\n0.827632 0.944507 0.055494 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"P",
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],
"chemical_system": "Na-P-Se",
"density": 3.335806853941689,
"density_atomic": 0.038406437545740045,
"volume": 624.895239799767,
"volume_molar": 15.680029559700632,
"formula_full": "Na8 P4 Se12",
"formula_reduced": "Na2PSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9391456,
"spacegroup": 64
},
{
"id": "jvasp-54890",
"created_at": "2022-09-04T14:37:03.839583Z",
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}