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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4349",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&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 F4",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4945135804166672,
"spacegroup": 8
},
{
"id": "jvasp-116264",
"created_at": "2022-09-04T14:38:41.894305Z",
"updated_at": "2022-09-04T14:38:41.894333Z",
"structure_string": "Li2 H2\n1.0\n2.852688 -0.212087 0.379888\n-0.158670 -4.707328 -1.156873\n-0.913479 0.711997 -2.643923\nLi H\n2 2\ndirect\n0.016984 0.229074 0.172038 Li\n0.648421 0.749402 0.540378 Li\n0.360409 0.066775 -0.172865 H\n-0.005905 0.596823 0.193145 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.7324495362866565,
"density_atomic": 0.11098119267825121,
"volume": 36.04214284844204,
"volume_molar": 5.426271438133632,
"formula_full": "Li2 H2",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.8438399999999999,
"spacegroup": 8
},
{
"id": "jvasp-111833",
"created_at": "2022-09-04T14:38:41.542432Z",
"updated_at": "2022-09-04T14:38:41.542448Z",
"structure_string": "Ba2 Tm2 Zn8 O13\n1.0\n6.382963 -0.010882 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
}
]
}