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=-spacegroup&page=3839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3837",
"results": [
{
"id": "jvasp-3651",
"created_at": "2022-09-04T14:38:11.196686Z",
"updated_at": "2022-09-04T14:38:11.196706Z",
"structure_string": "Br2 F6\n1.0\n4.656692 -0.077646 0.000000\n-1.512911 4.404760 0.000000\n0.000000 0.000000 6.162988\nBr F\n2 6\ndirect\n0.835829 0.164170 0.258638 Br\n0.164171 0.835829 0.758638 Br\n0.074445 0.925555 0.094222 F\n0.925555 0.074444 0.594222 F\n0.265890 0.734109 0.494224 F\n0.734109 0.265890 0.994224 F\n0.380903 0.619096 0.882917 F\n0.619096 0.380903 0.382917 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Br",
"F"
],
"chemical_system": "Br-F",
"density": 3.6172900450955336,
"density_atomic": 0.06364924937839839,
"volume": 125.68883495293947,
"volume_molar": 9.461448200587618,
"formula_full": "Br2 F6",
"formula_reduced": "BrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-51714",
"created_at": "2022-09-04T14:38:11.329830Z",
"updated_at": "2022-09-04T14:38:11.329859Z",
"structure_string": "Sr2 Mg2 H8\n1.0\n1.978888 6.755274 0.000000\n-1.978888 6.755274 0.000000\n0.000000 0.000000 5.572105\nSr Mg H\n2 2 8\ndirect\n0.848764 0.848764 0.753276 Sr\n0.151235 0.151235 0.253275 Sr\n0.585079 0.585079 0.709302 Mg\n0.414921 0.414921 0.209302 Mg\n0.666685 0.666685 0.985442 H\n0.333315 0.333315 0.485442 H\n0.700739 0.700739 0.506163 H\n0.299261 0.299261 0.006162 H\n0.924846 0.924846 0.179975 H\n0.075154 0.075154 0.679976 H\n0.461628 0.461628 0.866845 H\n0.538371 0.538371 0.366845 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"H"
],
"chemical_system": "H-Mg-Sr",
"density": 2.585006823698295,
"density_atomic": 0.08055041360202553,
"volume": 148.97502648823453,
"volume_molar": 7.476238160307308,
"formula_full": "Sr2 Mg2 H8",
"formula_reduced": "SrMgH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5569408933333335,
"spacegroup": 36
},
{
"id": "jvasp-9609",
"created_at": "2022-09-04T14:38:12.352196Z",
"updated_at": "2022-09-04T14:38:12.352222Z",
"structure_string": "Na4 Si2 O6\n1.0\n4.842218 -0.000000 0.000000\n-0.000000 5.286294 -3.045706\n0.000000 -0.001681 6.107527\nNa Si O\n4 2 6\ndirect\n0.502070 0.504004 0.331425 Na\n0.502070 0.172578 0.668575 Na\n0.002070 0.495995 0.668575 Na\n0.002070 0.827421 0.331425 Na\n0.539274 0.841060 -0.000001 Si\n0.039274 0.158939 -0.000000 Si\n0.378459 0.086805 -0.000000 O\n0.878459 0.913194 -0.000001 O\n0.482365 0.580142 0.739118 O\n0.982365 0.419858 0.260881 O\n0.482365 0.841023 0.260881 O\n0.982365 0.158976 0.739119 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.5934137528649472,
"density_atomic": 0.07676956399805575,
"volume": 156.3119467541057,
"volume_molar": 7.84443788185708,
"formula_full": "Na4 Si2 O6",
"formula_reduced": "Na2SiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2357911833333333,
"spacegroup": 36
},
{
"id": "jvasp-11492",
"created_at": "2022-09-04T14:38:12.452688Z",
"updated_at": "2022-09-04T14:38:12.452715Z",
"structure_string": "Na4 Ni2 O4\n1.0\n2.845353 0.000000 0.000000\n-1.422677 5.026579 0.000000\n0.000000 0.000000 8.316408\nNa Ni O\n4 2 4\ndirect\n0.397071 0.794146 0.152542 Na\n0.849255 0.698513 0.830963 Na\n0.602927 0.205855 0.652541 Na\n0.150744 0.301488 0.330961 Na\n0.121813 0.243628 0.998158 Ni\n0.878185 0.756374 0.498158 Ni\n0.720969 0.441940 0.093319 O\n0.520507 0.041016 0.910322 O\n0.279030 0.558061 0.593318 O\n0.479490 0.958984 0.410322 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 3.8160438682455244,
"density_atomic": 0.08407280675207905,
"volume": 118.94452423229832,
"volume_molar": 7.163006675581315,
"formula_full": "Na4 Ni2 O4",
"formula_reduced": "Na2NiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6725054799999995,
"spacegroup": 36
},
{
"id": "jvasp-10126",
"created_at": "2022-09-04T14:38:12.782973Z",
"updated_at": "2022-09-04T14:38:12.782989Z",
"structure_string": "Rb4 Se6\n1.0\n6.709561 -0.047393 0.000000\n-2.143636 6.358088 -0.000000\n0.000000 -0.000000 7.840402\nRb Se\n4 6\ndirect\n0.419487 0.580513 0.827649 Rb\n0.580513 0.419488 0.327650 Rb\n0.902710 0.097291 0.548025 Rb\n0.097290 0.902710 0.048026 Rb\n0.405892 0.081975 0.676027 Se\n0.594108 0.918026 0.176027 Se\n0.918025 0.594109 0.676027 Se\n0.081974 0.405892 0.176027 Se\n0.788222 0.211779 -0.004730 Se\n0.211778 0.788222 0.495270 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.0590037108727515,
"density_atomic": 0.029969294579076104,
"volume": 333.67485422836006,
"volume_molar": 20.09436940235665,
"formula_full": "Rb4 Se6",
"formula_reduced": "Rb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6308473466666666,
"spacegroup": 36
},
{
"id": "jvasp-52543",
"created_at": "2022-09-04T14:38:13.403645Z",
"updated_at": "2022-09-04T14:38:13.403676Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 5.630243 0.000000\n-7.910049 2.815121 -0.000872\n-0.000652 0.000000 5.527545\nTi Bi O\n2 4 10\ndirect\n0.314167 0.996631 0.736213 Ti\n0.689201 0.996631 0.236213 Ti\n0.956745 0.657375 0.756199 Bi\n0.385880 0.657376 0.256199 Bi\n0.617496 0.335885 0.756200 Bi\n0.046619 0.335885 0.256200 Bi\n0.254165 0.805489 0.658882 O\n0.940344 0.805489 0.158882 O\n0.242995 0.491559 0.485196 O\n0.265446 0.491559 0.985195 O\n0.760374 0.501699 0.985198 O\n0.737927 0.501699 0.485199 O\n0.063022 0.187770 0.658882 O\n0.749208 0.187770 0.158883 O\n0.599350 0.996633 0.563417 O\n0.404017 0.996633 0.063417 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.363660407773832,
"density_atomic": 0.06499521384851359,
"volume": 246.17197255926735,
"volume_molar": 9.265514186992284,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3123680541666665,
"spacegroup": 36
},
{
"id": "jvasp-45286",
"created_at": "2022-09-04T14:38:13.494587Z",
"updated_at": "2022-09-04T14:38:13.494607Z",
"structure_string": "Nd6 Ga2 O12\n1.0\n5.632531 -0.000000 -0.000000\n-0.000000 7.230063 -1.654286\n0.000000 0.012172 7.416895\nNd Ga O\n6 2 12\ndirect\n0.531156 0.298755 0.086804 Nd\n0.531156 0.913195 0.701244 Nd\n0.031157 0.086804 0.298755 Nd\n0.575180 0.395953 0.604046 Nd\n0.075180 0.604047 0.395952 Nd\n0.031157 0.701244 0.913195 Nd\n0.998287 0.191767 0.808232 Ga\n0.498287 0.808233 0.191766 Ga\n0.329008 0.894265 0.415232 O\n0.829008 0.105734 0.584767 O\n0.825530 0.784355 0.215644 O\n0.801507 0.354168 0.327065 O\n0.301508 0.645831 0.672934 O\n0.801507 0.672934 0.645831 O\n0.301508 0.327065 0.354168 O\n0.865818 0.040933 0.959066 O\n0.365818 0.959066 0.040933 O\n0.325530 0.215644 0.784355 O\n0.829008 0.415232 0.894265 O\n0.329008 0.584767 0.105734 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 6.577680534765326,
"density_atomic": 0.0661910310754462,
"volume": 302.1557403631241,
"volume_molar": 9.098121999543736,
"formula_full": "Nd6 Ga2 O12",
"formula_reduced": "Nd3GaO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.9435327825,
"spacegroup": 36
},
{
"id": "jvasp-12904",
"created_at": "2022-09-04T14:38:14.147487Z",
"updated_at": "2022-09-04T14:38:14.147496Z",
"structure_string": "Ge2 H6 Cl2\n1.0\n4.463010 0.004778 0.000000\n-1.093428 4.326997 -0.000000\n0.000000 0.000000 8.274099\nGe H Cl\n2 6 2\ndirect\n0.558701 0.558701 0.952912 Ge\n0.441299 0.441300 0.452912 Ge\n0.198207 0.564018 0.544612 H\n0.801793 0.435983 0.044612 H\n0.435982 0.801794 0.044612 H\n0.564018 0.198207 0.544612 H\n0.686270 0.686271 0.364581 H\n0.313730 0.313730 0.864581 H\n0.830981 0.830983 0.750451 Cl\n0.169018 0.169019 0.250451 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ge",
"H",
"Cl"
],
"chemical_system": "Cl-Ge-H",
"density": 2.30890601240597,
"density_atomic": 0.06256729185160345,
"volume": 159.82791813521212,
"volume_molar": 9.625062203880042,
"formula_full": "Ge2 H6 Cl2",
"formula_reduced": "GeH3Cl",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8034960035,
"spacegroup": 36
},
{
"id": "jvasp-9444",
"created_at": "2022-09-04T14:38:14.257918Z",
"updated_at": "2022-09-04T14:38:14.257939Z",
"structure_string": "Ba2 Zn2 F8\n1.0\n4.108461 0.000000 -1.185916\n0.000000 5.866479 -0.000000\n-0.037755 -0.000000 7.578793\nBa Zn F\n2 2 8\ndirect\n0.854838 0.962917 0.709679 Ba\n0.145160 0.462917 0.290320 Ba\n0.410974 0.498666 0.821949 Zn\n0.589025 0.998666 0.178050 Zn\n0.923259 0.509083 0.846519 F\n0.076740 0.009082 0.153480 F\n0.471318 0.825479 0.942637 F\n0.528680 0.325479 0.057362 F\n0.699771 0.204557 0.399544 F\n0.300227 0.704557 0.600455 F\n0.670710 0.727779 0.341419 F\n0.329289 0.227779 0.658579 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"F"
],
"chemical_system": "Ba-F-Zn",
"density": 5.074934263542659,
"density_atomic": 0.0657884209424677,
"volume": 182.40291875213205,
"volume_molar": 9.153800431334856,
"formula_full": "Ba2 Zn2 F8",
"formula_reduced": "BaZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-46536",
"created_at": "2022-09-04T14:38:14.666777Z",
"updated_at": "2022-09-04T14:38:14.666805Z",
"structure_string": "Li4 Cr2 O6\n1.0\n0.000000 5.520681 0.000000\n-4.723611 2.760341 0.000000\n0.000000 0.000000 4.912648\nLi Cr O\n4 2 6\ndirect\n0.835462 0.658994 0.521688 Li\n0.505544 0.658994 0.021687 Li\n0.494456 0.341006 0.521688 Li\n0.164538 0.341006 0.021687 Li\n0.822206 0.000000 0.019135 Cr\n0.177794 0.000000 0.519135 Cr\n0.828103 0.692640 0.920608 O\n0.479258 0.692640 0.420607 O\n0.520741 0.307360 0.920608 O\n0.171897 0.307360 0.420607 O\n0.862765 0.000000 0.393276 O\n0.137235 0.000000 0.893276 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.9520928661952683,
"density_atomic": 0.09366963336337811,
"volume": 128.1098213916104,
"volume_molar": 6.429128142989476,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1143196500000005,
"spacegroup": 36
},
{
"id": "jvasp-40491",
"created_at": "2022-09-04T14:38:15.514554Z",
"updated_at": "2022-09-04T14:38:15.514571Z",
"structure_string": "Ge4 N4 O2\n1.0\n0.000000 3.096473 0.000262\n4.728414 0.000000 0.000000\n0.000000 -1.547893 -8.857876\nGe N O\n4 4 2\ndirect\n0.441178 0.733012 0.882309 Ge\n0.206213 -0.013458 0.412431 Ge\n0.793787 0.486542 0.587570 Ge\n0.558822 0.233012 0.117691 Ge\n0.111119 0.150137 0.222258 N\n0.279741 0.278805 0.559493 N\n0.720259 0.778804 0.440508 N\n0.888882 0.650136 0.777743 N\n0.464061 0.101504 0.928149 O\n0.535939 0.601504 0.071851 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O",
"density": 4.84738172840787,
"density_atomic": 0.07710704024667679,
"volume": 129.68984372903597,
"volume_molar": 7.810104940786579,
"formula_full": "Ge4 N4 O2",
"formula_reduced": "Ge2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.94011638,
"spacegroup": 36
},
{
"id": "jvasp-20489",
"created_at": "2022-09-04T14:38:16.794413Z",
"updated_at": "2022-09-04T14:38:16.794438Z",
"structure_string": "Mo2 P4\n1.0\n3.063323 0.000000 -0.861422\n0.000000 5.042167 0.000000\n-0.005624 0.000000 5.857484\nMo P\n2 4\ndirect\n0.093434 0.500986 0.186869 Mo\n0.906566 0.000985 0.813131 Mo\n0.430822 0.620319 0.861643 P\n0.569178 0.120319 0.138357 P\n0.700847 0.803696 0.401694 P\n0.299153 0.303696 0.598306 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 5.797263659613117,
"density_atomic": 0.06633571211064354,
"volume": 90.44901771752146,
"volume_molar": 9.07827860497747,
"formula_full": "Mo2 P4",
"formula_reduced": "MoP2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.361645633333333,
"spacegroup": 36
}
]
}