{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4349","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4347","results":[{"id":"jvasp-112455","created_at":"2022-09-04T14:38:40.717901Z","updated_at":"2022-09-04T14:38:40.717919Z","structure_string":"Li4 Ti3 Mn2 Nb3 O16\n1.0\n6.041565 -0.001021 0.067901\n3.083696 5.195318 0.067901\n0.057299 0.032616 9.952341\nLi Ti Mn Nb O\n4 3 2 3 16\ndirect\n0.663106 0.663106 0.898251 Li\n0.012211 0.012212 0.995985 Li\n0.008044 0.008044 0.496593 Li\n0.330913 0.330913 0.390720 Li\n0.832313 0.339133 0.216277 Ti\n0.339134 0.832313 0.216277 Ti\n0.162042 0.162043 0.721345 Ti\n0.672808 0.672808 0.496368 Mn\n0.336208 0.336208 0.002922 Mn\n0.185046 0.643230 0.710580 Nb\n0.833090 0.833090 0.214233 Nb\n0.643230 0.185046 0.710580 Nb\n0.160456 0.160456 0.107082 O\n0.690430 0.163522 0.102588 O\n0.313008 0.313009 0.593263 O\n0.026761 0.476831 0.826933 O\n0.476830 0.026762 0.826933 O\n0.844521 0.844521 0.593967 O\n0.511085 0.969197 0.330557 O\n0.517646 0.517646 0.325901 O\n0.318545 0.838520 0.604004 O\n-0.000391 -0.000390 0.816590 O\n0.003400 0.003401 0.317348 O\n0.667848 0.667847 0.104165 O\n0.481923 0.481924 0.851193 O\n0.838520 0.318545 0.604004 O\n0.969198 0.511085 0.330557 O\n0.163522 0.690430 0.102588 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Mn","Nb","O"],"chemical_system":"Li-Mn-Nb-O-Ti","density":4.3373033238956555,"density_atomic":0.08963236317883294,"volume":312.3871669447662,"volume_molar":6.718712467710718,"formula_full":"Li4 Ti3 Mn2 Nb3 O16","formula_reduced":"Li4Ti3Mn2Nb3O16","formula_anonymous":"A2B3C3D4E16","energy_above_hull":3.4725437029556647,"spacegroup":8},{"id":"jvasp-114461","created_at":"2022-09-04T14:38:40.858821Z","updated_at":"2022-09-04T14:38:40.858850Z","structure_string":"B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n","nsites":3,"nelements":2,"elements":["B","Br"],"chemical_system":"B-Br","density":3.2650805049808396,"density_atomic":0.058101691390938875,"volume":51.6336087329096,"volume_molar":10.36482865787823,"formula_full":"B2 Br1","formula_reduced":"B2Br","formula_anonymous":"AB2","energy_above_hull":2.796566423888889,"spacegroup":8},{"id":"jvasp-111524","created_at":"2022-09-04T14:38:40.882696Z","updated_at":"2022-09-04T14:38:40.882720Z","structure_string":"Er4 Mn1 S7\n1.0\n6.117520 -0.041585 1.493873\n5.007821 3.513902 1.493873\n-0.048306 -0.015077 11.161020\nEr Mn S\n4 1 7\ndirect\n0.699332 0.699330 0.210543 Er\n0.305396 0.305395 0.795490 Er\n0.105788 0.105787 0.557578 Er\n0.000696 0.000696 0.009575 Er\n0.891384 0.891380 0.431821 Mn\n0.030716 0.030715 0.236595 S\n0.966908 0.966904 0.782898 S\n0.337081 0.337080 0.053576 S\n0.661320 0.661316 0.945356 S\n0.746003 0.746000 0.628441 S\n0.278778 0.278776 0.357740 S\n0.476608 0.476606 0.490383 S\n","nsites":12,"nelements":3,"elements":["Er","Mn","S"],"chemical_system":"Er-Mn-S","density":6.493718391864542,"density_atomic":0.04947898181476298,"volume":242.52722186008234,"volume_molar":12.17110890144304,"formula_full":"Er4 Mn1 S7","formula_reduced":"Er4MnS7","formula_anonymous":"AB4C7","energy_above_hull":2.181436436781609,"spacegroup":8},{"id":"jvasp-114357","created_at":"2022-09-04T14:38:40.977475Z","updated_at":"2022-09-04T14:38:40.977508Z","structure_string":"Mg2 Te2\n1.0\n6.736805 -0.592011 -2.101762\n-0.598689 -4.908530 -0.431833\n2.630614 0.127516 -4.618500\nMg Te\n2 2\ndirect\n0.399431 0.067934 0.656635 Mg\n0.899307 0.567853 0.656766 Mg\n0.407960 0.566193 0.404804 Te\n0.908048 0.066131 0.404707 Te\n","nsites":4,"nelements":2,"elements":["Mg","Te"],"chemical_system":"Mg-Te","density":3.9282521654292224,"density_atomic":0.031146423737421096,"volume":128.425659193552,"volume_molar":19.334934921483956,"formula_full":"Mg2 Te2","formula_reduced":"MgTe","formula_anonymous":"AB","energy_above_hull":0.02488,"spacegroup":8},{"id":"jvasp-116191","created_at":"2022-09-04T14:38:41.072036Z","updated_at":"2022-09-04T14:38:41.072052Z","structure_string":"Na1 I1 O3\n1.0\n3.181528 1.562854 2.877380\n-3.348891 1.933483 2.819398\n0.237293 -3.536711 2.877380\nNa I O\n1 1 3\ndirect\n0.003898 -0.380595 0.003898 Na\n0.705296 0.142526 0.705298 I\n0.488848 0.647887 0.103451 O\n0.403408 0.647194 0.403410 O\n0.103449 0.647888 0.488849 O\n","nsites":5,"nelements":3,"elements":["Na","I","O"],"chemical_system":"I-Na-O","density":3.3432750869173073,"density_atomic":0.05087024358542494,"volume":98.28928755970361,"volume_molar":11.838238497693043,"formula_full":"Na1 I1 O3","formula_reduced":"NaIO3","formula_anonymous":"ABC3","energy_above_hull":1.3757455525000002,"spacegroup":8},{"id":"jvasp-112425","created_at":"2022-09-04T14:38:41.141026Z","updated_at":"2022-09-04T14:38:41.141064Z","structure_string":"V4 Ag4 O12\n1.0\n8.916039 -0.027152 2.313578\n8.207072 3.484317 2.313578\n-0.079795 -0.016111 8.055957\nV Ag O\n4 4 12\ndirect\n0.320861 0.320862 0.564143 V\n0.873464 0.873466 0.227864 V\n0.680401 0.680403 0.433238 V\n0.130675 0.130675 0.769118 V\n0.252176 0.252177 0.041381 Ag\n0.000522 0.000522 0.501052 Ag\n0.452474 0.452475 0.865961 Ag\n0.550233 0.550235 0.130051 Ag\n0.967293 0.967296 0.239941 O\n0.192044 0.192045 0.496023 O\n0.259953 0.259953 0.760706 O\n0.811249 0.811251 0.494642 O\n0.881472 0.881475 0.011885 O\n0.740722 0.740724 0.231341 O\n0.121316 0.121316 0.985601 O\n0.408794 0.408795 0.599955 O\n0.036451 0.036451 0.758497 O\n0.651690 0.651692 0.705923 O\n0.350996 0.350997 0.286973 O\n0.592414 0.592415 0.398412 O\n","nsites":20,"nelements":3,"elements":["V","Ag","O"],"chemical_system":"Ag-O-V","density":5.4350617727329915,"density_atomic":0.0791331159157949,"volume":252.73868934065337,"volume_molar":7.610139813536631,"formula_full":"V4 Ag4 O12","formula_reduced":"VAgO3","formula_anonymous":"ABC3","energy_above_hull":2.047518392,"spacegroup":8},{"id":"jvasp-114412","created_at":"2022-09-04T14:38:41.256129Z","updated_at":"2022-09-04T14:38:41.256154Z","structure_string":"H3 Os1\n1.0\n5.191282 -0.271619 -0.002885\n-1.282481 -2.195062 0.341080\n-1.871270 3.782164 -3.451504\nH Os\n3 1\ndirect\n0.249853 0.060129 0.889377 H\n0.552283 0.051573 0.622694 H\n0.791781 0.557597 0.351800 H\n0.401238 0.556338 0.756387 Os\n","nsites":4,"nelements":2,"elements":["H","Os"],"chemical_system":"H-Os","density":9.428638001913166,"density_atomic":0.11752540827856006,"volume":34.035193398513066,"volume_molar":5.124118135991711,"formula_full":"H3 Os1","formula_reduced":"H3Os","formula_anonymous":"AB3","energy_above_hull":3.52350125,"spacegroup":8},{"id":"jvasp-114788","created_at":"2022-09-04T14:38:41.283002Z","updated_at":"2022-09-04T14:38:41.283020Z","structure_string":"Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n","nsites":5,"nelements":3,"elements":["Na","Sn","Cl"],"chemical_system":"Cl-Na-Sn","density":2.801307582818297,"density_atomic":0.0340037738447676,"volume":147.04250248298206,"volume_molar":17.710212953103348,"formula_full":"Na1 Sn1 Cl3","formula_reduced":"NaSnCl3","formula_anonymous":"ABC3","energy_above_hull":0.0104739999999999,"spacegroup":8},{"id":"jvasp-112803","created_at":"2022-09-04T14:38:41.389144Z","updated_at":"2022-09-04T14:38:41.389171Z","structure_string":"Li8 V4 O8 F4\n1.0\n5.010987 -0.007105 1.228998\n1.098876 6.610153 -2.556925\n0.011811 -0.002695 6.372120\nLi V O F\n8 4 8 4\ndirect\n0.168892 0.830418 0.508094 Li\n0.668892 0.330416 0.008093 Li\n0.998713 0.001836 0.995028 Li\n0.498714 0.501833 0.495027 Li\n0.543403 0.895454 0.752488 Li\n0.043404 0.395452 0.252486 Li\n0.837645 0.172214 0.493199 Li\n0.337645 0.672213 0.993199 Li\n0.754907 0.747387 0.260194 V\n0.944790 0.602310 0.740097 V\n0.254906 0.247388 0.760194 V\n0.444796 0.102312 0.240098 V\n0.835842 0.666157 0.503552 O\n0.335840 0.166156 0.003549 O\n0.495848 0.003237 0.489447 O\n0.995851 0.503239 0.989446 O\n0.734114 0.242360 0.249364 O\n0.234118 0.742363 0.749364 O\n0.170307 0.331718 0.506819 O\n0.670310 0.831714 0.006816 O\n0.932947 0.094246 0.744497 F\n0.082588 0.912669 0.257235 F\n0.582589 0.412673 0.757237 F\n0.432948 0.594249 0.244498 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.646277755228857,"density_atomic":0.11375374501939663,"volume":210.9820647742864,"volume_molar":5.29401538294246,"formula_full":"Li8 V4 O8 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0.036288\n3.177876 5.535652 0.036288\n0.014446 0.008348 10.192299\nBa Tm Zn O\n2 2 8 13\ndirect\n0.169074 0.169074 0.939137 Ba\n0.838833 0.838833 0.435586 Ba\n0.143562 0.143562 0.299338 Tm\n0.834326 0.834326 0.808577 Tm\n0.340895 0.340895 0.649367 Zn\n0.676611 0.676611 0.127681 Zn\n0.525159 0.525159 0.370387 Zn\n0.497306 0.497306 0.881700 Zn\n0.852043 0.327827 0.626931 Zn\n0.658897 0.158703 0.120010 Zn\n0.158703 0.658897 0.120010 Zn\n0.327828 0.852043 0.626931 Zn\n0.535002 0.001132 0.648700 O\n0.666284 0.666284 0.936029 O\n0.511667 0.511667 0.683133 O\n0.499799 0.499799 0.182873 O\n0.001132 0.535002 0.648700 O\n0.154216 0.621237 0.930137 O\n-0.001257 0.510148 0.220867 O\n0.278868 0.823436 0.435302 O\n0.823436 0.278868 0.435302 O\n0.621236 0.154216 0.930137 O\n0.011419 0.011419 0.155959 O\n0.510148 -0.001258 0.220867 O\n0.024718 0.024718 0.724944 O\n","nsites":25,"nelements":4,"elements":["Ba","Tm","Zn","O"],"chemical_system":"Ba-O-Tm-Zn","density":6.190075965698128,"density_atomic":0.06935161475526777,"volume":360.48187325156783,"volume_molar":8.683490328597683,"formula_full":"Ba2 Tm2 Zn8 O13","formula_reduced":"Ba2Tm2Zn8O13","formula_anonymous":"A2B2C8D13","energy_above_hull":0.9800159656,"spacegroup":8},{"id":"jvasp-114777","created_at":"2022-09-04T14:38:41.976697Z","updated_at":"2022-09-04T14:38:41.976722Z","structure_string":"Na1 Cl1 O3\n1.0\n3.159074 2.069109 2.327720\n-2.979197 1.720040 1.760072\n-0.212364 -3.770393 2.327720\nNa Cl O\n1 1 3\ndirect\n0.198015 0.416355 0.198017 Na\n0.698109 -0.232698 0.698110 Cl\n0.809247 0.529436 0.459979 O\n-0.040353 0.882469 -0.040350 O\n0.459977 0.529436 0.809249 O\n","nsites":5,"nelements":3,"elements":["Na","Cl","O"],"chemical_system":"Cl-Na-O","density":2.3825610066582876,"density_atomic":0.06739941327759914,"volume":74.184622044207,"volume_molar":8.935004723552272,"formula_full":"Na1 Cl1 O3","formula_reduced":"NaClO3","formula_anonymous":"ABC3","energy_above_hull":1.374227742333333,"spacegroup":8}]}