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=218",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=216",
"results": [
{
"id": "jvasp-79146",
"created_at": "2022-09-04T14:38:03.740756Z",
"updated_at": "2022-09-04T14:38:03.740776Z",
"structure_string": "Cu2 N2\n1.0\n2.767280 0.731484 -0.150779\n0.666914 2.767224 -0.335231\n-0.250961 0.288114 5.994473\nCu N\n2 2\ndirect\n0.713870 0.666438 0.907849 Cu\n0.332928 0.286225 0.586304 Cu\n0.229848 0.791199 0.345811 N\n0.208778 0.770352 0.148288 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 5.965513418203231,
"density_atomic": 0.09264709422754738,
"volume": 43.174586675926776,
"volume_molar": 6.500085955431289,
"formula_full": "Cu2 N2",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 1.7364618499999998,
"spacegroup": 5
},
{
"id": "jvasp-45225",
"created_at": "2022-09-04T14:38:04.152461Z",
"updated_at": "2022-09-04T14:38:04.152492Z",
"structure_string": "Li5 Fe2 Ni5 O12\n1.0\n5.001129 0.161530 -0.103021\n2.328392 4.428993 0.103021\n-0.617912 0.986597 9.490898\nLi Fe Ni O\n5 2 5 12\ndirect\n0.154159 0.671485 0.505147 Li\n0.339030 0.830882 0.996385 Li\n0.671486 0.154159 0.994853 Li\n0.830882 0.339030 0.503615 Li\n0.911054 0.911054 0.750000 Li\n0.247498 0.247498 0.750000 Fe\n0.751474 0.751474 0.250000 Fe\n0.420123 0.420123 0.250000 Ni\n0.505921 -0.001334 0.502676 Ni\n0.580691 0.580691 0.750000 Ni\n0.084173 0.084173 0.250000 Ni\n-0.001334 0.505922 0.997324 Ni\n0.782498 0.034364 0.366433 O\n0.976302 0.221750 0.866476 O\n0.221750 0.976302 0.633524 O\n0.109453 0.395481 0.365238 O\n0.395481 0.109453 0.134762 O\n0.305774 0.509167 0.865911 O\n0.509167 0.305774 0.634089 O\n0.467397 0.723404 0.364079 O\n0.723405 0.467397 0.135921 O\n0.630633 0.848620 0.872846 O\n0.848620 0.630633 0.627154 O\n0.034364 0.782498 0.133567 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 5.102803799662333,
"density_atomic": 0.11672227010198791,
"volume": 205.61628881129218,
"volume_molar": 5.159375974043394,
"formula_full": "Li5 Fe2 Ni5 O12",
"formula_reduced": "Li5Fe2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.301924375,
"spacegroup": 5
},
{
"id": "jvasp-47387",
"created_at": "2022-09-04T14:38:04.107858Z",
"updated_at": "2022-09-04T14:38:04.107887Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n5.022078 0.001696 0.028799\n-2.362550 4.437314 -0.017017\n-1.046657 -1.687182 4.761235\nLi Mn O F\n4 2 4 2\ndirect\n0.411749 0.570453 0.491309 Li\n0.723573 0.259718 0.491202 Li\n0.583312 0.400381 0.990560 Li\n0.234464 0.748381 0.991553 Li\n0.096761 0.885660 0.491280 Mn\n0.902810 0.080493 0.991215 Mn\n0.272334 0.120258 0.256387 O\n0.511068 0.005778 0.743315 O\n0.862339 0.710702 0.726625 O\n0.977030 0.470814 0.238697 O\n0.182855 0.345019 0.745223 F\n0.639302 0.799946 0.238227 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7460202612378968,
"density_atomic": 0.112967348105642,
"volume": 106.22538460208996,
"volume_molar": 5.330868486324353,
"formula_full": "Li4 Mn2 O4 F2",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5206840873132186,
"spacegroup": 5
},
{
"id": "jvasp-46946",
"created_at": "2022-09-04T14:38:05.420913Z",
"updated_at": "2022-09-04T14:38:05.420939Z",
"structure_string": "V6 O9 F3\n1.0\n-4.518882 4.518882 2.909012\n0.134716 4.655540 -2.912392\n-4.655540 -0.134716 -2.912392\nV O F\n6 9 3\ndirect\n0.833610 0.666447 0.670503 V\n0.663977 0.363050 0.306503 V\n0.336021 0.693496 0.636950 V\n0.166389 0.329496 0.333552 V\n0.500000 0.982897 0.017103 V\n-0.000000 0.961277 0.038722 V\n-0.000000 0.692003 0.307997 O\n0.335203 0.967039 0.361387 O\n0.664797 0.638612 0.032960 O\n0.365429 0.433553 0.432356 O\n0.298494 0.902890 0.898604 O\n0.701505 0.101395 0.097110 O\n0.634570 0.567644 0.566446 O\n0.966134 0.230207 0.232882 O\n0.033865 0.767117 0.769793 O\n0.334948 0.371624 0.962347 F\n0.665052 0.037653 0.628375 F\n-0.000000 0.293595 0.706405 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.449309568266102,
"density_atomic": 0.09519575368414719,
"volume": 189.08406418759742,
"volume_molar": 6.326060277836593,
"formula_full": "V6 O9 F3",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4785081970833334,
"spacegroup": 5
},
{
"id": "jvasp-45244",
"created_at": "2022-09-04T14:38:06.297304Z",
"updated_at": "2022-09-04T14:38:06.297333Z",
"structure_string": "Li7 Mn5 O12\n1.0\n4.973055 0.141711 -0.099452\n2.298305 4.412386 0.099452\n-0.633622 1.011683 9.402109\nLi Mn O\n7 5 12\ndirect\n0.255123 0.255121 0.750000 Li\n0.170820 0.658210 0.510767 Li\n0.325065 0.846370 0.989404 Li\n0.658211 0.170818 0.989233 Li\n0.846372 0.325063 0.510597 Li\n0.744127 0.744126 0.250000 Li\n0.922828 0.922826 0.750000 Li\n0.416411 0.416410 0.250000 Mn\n0.510689 0.002753 0.508217 Mn\n0.579496 0.579494 0.750000 Mn\n0.072291 0.072290 0.250000 Mn\n0.002755 0.510688 0.991783 Mn\n0.771996 0.055051 0.370188 O\n0.940609 0.248573 0.872730 O\n0.248575 0.940608 0.627270 O\n0.154268 0.339946 0.373766 O\n0.339946 0.154268 0.126234 O\n0.299119 0.547321 0.871492 O\n0.547323 0.299118 0.628508 O\n0.427982 0.720907 0.360919 O\n0.720908 0.427981 0.139081 O\n0.648966 0.841094 0.880941 O\n0.841096 0.648964 0.619059 O\n0.055052 0.771995 0.129812 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.230954037635188,
"density_atomic": 0.11867673042708622,
"volume": 202.2300404942935,
"volume_molar": 5.074407373988064,
"formula_full": "Li7 Mn5 O12",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.8363507586206897,
"spacegroup": 5
},
{
"id": "jvasp-42923",
"created_at": "2022-09-04T14:38:07.381445Z",
"updated_at": "2022-09-04T14:38:07.381475Z",
"structure_string": "V6 O8 F4\n1.0\n4.633074 -0.002343 -0.020676\n-0.002343 4.633074 -0.020676\n-0.043101 -0.043101 8.933290\nV O F\n6 8 4\ndirect\n0.987627 0.958461 0.013154 V\n0.041539 0.012373 0.320178 V\n0.013841 0.986159 0.666667 V\n0.513317 0.486683 0.166667 V\n0.490904 0.540181 0.820796 V\n0.459820 0.509097 0.512536 V\n0.805953 0.194047 0.166667 O\n0.696748 0.710022 0.665646 O\n0.693483 0.685184 0.996903 O\n0.289978 0.303252 0.667686 O\n0.190518 0.808470 0.835770 O\n0.191530 0.809482 0.497562 O\n0.212410 0.787590 0.166667 O\n0.314816 0.306517 0.336432 O\n0.791972 0.197095 0.836952 F\n0.296342 0.293702 0.995921 F\n0.706298 0.703658 0.337412 F\n0.802905 0.208028 0.496380 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4134646985026675,
"density_atomic": 0.09387315656642772,
"volume": 191.74810625721966,
"volume_molar": 6.4151893685800765,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.647271907222222,
"spacegroup": 5
},
{
"id": "jvasp-44828",
"created_at": "2022-09-04T14:38:07.222416Z",
"updated_at": "2022-09-04T14:38:07.222432Z",
"structure_string": "Li5 Cr1 O5\n1.0\n4.025333 -0.001021 0.001201\n-2.011448 4.652582 -0.013015\n-0.002133 -1.785092 5.313046\nLi Cr O\n5 1 5\ndirect\n0.315514 0.629174 0.125164 Li\n0.299682 0.594682 0.646831 Li\n0.716173 0.427695 0.324718 Li\n0.697543 0.393209 0.846391 Li\n0.988178 0.011191 0.485773 Li\n0.073617 0.011189 0.985780 Cr\n0.854450 0.728393 0.153093 O\n0.489601 0.011188 0.985790 O\n0.843159 0.703867 0.675646 O\n0.150489 0.318519 0.295910 O\n0.137246 0.293982 0.818460 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.7846939503320423,
"density_atomic": 0.11065993459455645,
"volume": 99.40363728121261,
"volume_molar": 5.442024506940418,
"formula_full": "Li5 Cr1 O5",
"formula_reduced": "Li5CrO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 2.0421859,
"spacegroup": 5
},
{
"id": "jvasp-30317",
"created_at": "2022-09-04T14:38:07.249302Z",
"updated_at": "2022-09-04T14:38:07.249328Z",
"structure_string": "Ni1 P2 S6\n1.0\n5.762529 0.000000 -0.106888\n-2.881265 4.993443 0.053443\n-1.742284 0.000000 6.370691\nNi P S\n1 2 6\ndirect\n0.333263 0.666529 -0.000000 Ni\n0.055854 0.000300 0.171055 P\n0.944446 0.000300 0.828945 P\n0.103667 0.667783 0.241665 S\n0.253801 0.973769 0.757398 S\n0.564116 0.667783 0.758334 S\n0.409923 0.358082 0.245849 S\n0.948159 0.358082 0.754150 S\n0.719969 0.973769 0.242601 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"P",
"S"
],
"chemical_system": "Ni-P-S",
"density": 2.850002739477125,
"density_atomic": 0.04934594226384884,
"volume": 182.38581709267427,
"volume_molar": 12.203922923996648,
"formula_full": "Ni1 P2 S6",
"formula_reduced": "Ni(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3933637111111112,
"spacegroup": 5
},
{
"id": "jvasp-44917",
"created_at": "2022-09-04T14:38:07.928839Z",
"updated_at": "2022-09-04T14:38:07.928856Z",
"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n4.360422 -2.548406 0.008766\n1.488072 -0.848502 4.790685\n-1.503145 -7.575719 0.032272\nLi Ti Ni O\n4 2 4 10\ndirect\n0.199513 0.999984 0.600975 Li\n0.301003 0.500004 0.397997 Li\n0.800652 0.000003 0.398688 Li\n0.495684 0.500008 0.008620 Li\n0.394885 -0.000001 0.210238 Ti\n0.696222 0.499990 0.607577 Ti\n0.604960 0.000005 0.790071 Ni\n0.897710 0.500002 0.204578 Ni\n0.102565 0.500002 0.794858 Ni\n0.000356 1.000000 0.999286 Ni\n0.936514 0.735854 0.601365 O\n0.053711 0.249287 0.398943 O\n0.361258 0.743681 0.789940 O\n0.462119 0.264150 0.601364 O\n0.161900 0.766381 0.197529 O\n0.249283 0.243363 0.005788 O\n0.848809 0.256310 0.789937 O\n0.640566 0.233630 0.197528 O\n0.547344 0.750720 0.398941 O\n0.744925 0.756639 0.005788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 4.876016753852587,
"density_atomic": 0.11331664401405822,
"volume": 176.49657889196553,
"volume_molar": 5.314436208729306,
"formula_full": "Li4 Ti2 Ni4 O10",
"formula_reduced": "Li2TiNi2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.121972063333333,
"spacegroup": 5
},
{
"id": "jvasp-46801",
"created_at": "2022-09-04T14:38:07.589493Z",
"updated_at": "2022-09-04T14:38:07.589519Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n5.004693 -0.022078 -0.041574\n2.110849 4.537814 0.041574\n-0.507912 0.800328 9.001447\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920365 0.920364 0.750000 Li\n0.085399 0.085399 0.250000 Mn\n0.423444 0.423444 0.250000 Mn\n0.575756 0.575755 0.750000 Mn\n0.512219 -0.003153 0.510644 Mn\n-0.003153 0.512219 0.989357 Mn\n0.244254 0.244254 0.750000 Cu\n0.753467 0.753466 0.250000 Cu\n0.666031 0.799681 0.885212 O\n0.761672 0.420279 0.144752 O\n0.746932 0.083157 0.355947 O\n0.420280 0.761672 0.355248 O\n0.553034 0.261825 0.636304 O\n0.083158 0.746931 0.144053 O\n0.261825 0.553034 0.863696 O\n0.316931 0.189222 0.122215 O\n0.916900 0.269278 0.861219 O\n0.189222 0.316931 0.377785 O\n0.269278 0.916899 0.638782 O\n0.799682 0.666030 0.614788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.877488330250846,
"density_atomic": 0.09779303387213156,
"volume": 204.51354465749398,
"volume_molar": 6.158046766269873,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.082655455344827,
"spacegroup": 5
},
{
"id": "jvasp-46766",
"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8931244043107367,
"density_atomic": 0.08672475780453723,
"volume": 253.67611921827717,
"volume_molar": 6.943969533559119,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6724923128526643,
"spacegroup": 5
},
{
"id": "jvasp-42990",
"created_at": "2022-09-04T14:38:07.965962Z",
"updated_at": "2022-09-04T14:38:07.965988Z",
"structure_string": "Li5 V5 Co2 O12\n1.0\n5.009767 0.156729 -0.107095\n2.327843 4.438859 0.107095\n-0.632691 1.010196 9.585209\nLi V Co O\n5 5 2 12\ndirect\n0.158860 0.662921 0.507584 Li\n0.325747 0.844002 0.991846 Li\n0.662920 0.158861 0.992417 Li\n0.844001 0.325748 0.508154 Li\n0.923617 0.923619 0.750000 Li\n0.428475 0.428475 0.250000 V\n0.581157 0.581158 0.750000 V\n0.075933 0.075933 0.250000 V\n0.000183 0.505426 0.983576 V\n0.505425 0.000184 0.516424 V\n0.749846 0.749846 0.250000 Co\n0.246340 0.246340 0.750000 Co\n0.777246 0.059287 0.377606 O\n0.940156 0.221381 0.875256 O\n0.221379 0.940157 0.624744 O\n0.151582 0.352121 0.374192 O\n0.352121 0.151582 0.125808 O\n0.289539 0.547632 0.874472 O\n0.547631 0.289540 0.625529 O\n0.442401 0.727113 0.377952 O\n0.727113 0.442401 0.122048 O\n0.632384 0.856655 0.875033 O\n0.856654 0.632385 0.624967 O\n0.059286 0.777246 0.122394 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.771579915644109,
"density_atomic": 0.11508019373127272,
"volume": 208.550222430483,
"volume_molar": 5.232994979190325,
"formula_full": "Li5 V5 Co2 O12",
"formula_reduced": "Li5V5(CoO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.139881866666667,
"spacegroup": 5
}
]
}