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=-volume_molar&page=4181",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4179",
"results": [
{
"id": "jvasp-119382",
"created_at": "2022-09-04T14:38:32.036051Z",
"updated_at": "2022-09-04T14:38:32.036079Z",
"structure_string": "Li2 Mn4 P4 O20\n1.0\n6.619758 0.035026 -0.123431\n-3.064869 6.076835 -0.012119\n-0.006665 -0.041805 7.823862\nLi Mn P O\n2 4 4 20\ndirect\n0.204350 0.215398 0.064242 Li\n0.704319 0.215302 0.564241 Li\n0.248434 0.997176 0.749523 Mn\n0.253841 0.503812 0.748001 Mn\n0.753851 0.503813 0.248009 Mn\n0.748444 -0.002823 0.249516 Mn\n0.735996 0.760308 0.589155 P\n0.766054 0.241699 0.914212 P\n0.235996 0.760312 0.089156 P\n0.266056 0.241698 0.414213 P\n0.571108 0.653575 0.735332 O\n0.777365 0.262478 0.323913 O\n0.715905 0.408710 0.016574 O\n0.768726 0.581768 0.486669 O\n0.956535 0.933190 0.674057 O\n0.552928 0.071342 0.818011 O\n0.722125 0.739994 0.176831 O\n0.371725 0.127791 0.531770 O\n0.425693 0.351581 0.263849 O\n0.215898 0.408706 0.516572 O\n0.277364 0.262479 0.823910 O\n0.456543 0.933188 0.174051 O\n0.052933 0.071345 0.318005 O\n0.925683 0.351571 0.763841 O\n0.268715 0.581762 0.986667 O\n0.222116 0.739992 0.676832 O\n0.071116 0.653577 0.235338 O\n0.146182 0.891538 0.973322 O\n0.646183 0.891533 0.473317 O\n0.871732 0.127798 0.031768 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.565369506277157,
"density_atomic": 0.09507281652016995,
"volume": 315.5476096959368,
"volume_molar": 6.334240406901573,
"formula_full": "Li2 Mn4 P4 O20",
"formula_reduced": "LiMn2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.1135826988505757,
"spacegroup": 1
},
{
"id": "jvasp-120743",
"created_at": "2022-09-04T14:38:53.370640Z",
"updated_at": "2022-09-04T14:38:53.370668Z",
"structure_string": "Mn4 Ni1 O8\n1.0\n5.109946 -0.013723 2.810532\n1.921294 4.735015 2.810532\n0.093911 0.063059 5.720200\nMn Ni O\n4 1 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.736783 0.736783 0.797163 O\n0.722732 0.236897 0.776176 O\n0.236896 0.722732 0.776176 O\n0.250718 0.250719 0.772086 O\n0.749282 0.749281 0.227913 O\n0.763104 0.277268 0.223823 O\n0.277268 0.763103 0.223824 O\n0.263217 0.263217 0.202837 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 4.935853482003855,
"density_atomic": 0.09507344657818563,
"volume": 136.73639136779562,
"volume_molar": 6.334198429471647,
"formula_full": "Mn4 Ni1 O8",
"formula_reduced": "Mn4NiO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.401226874270557,
"spacegroup": 12
},
{
"id": "jvasp-14873",
"created_at": "2022-09-04T14:35:41.286057Z",
"updated_at": "2022-09-04T14:35:41.286079Z",
"structure_string": "Sr1 B6\n1.0\n4.191263 0.000000 -0.000000\n-0.000000 4.191263 0.000000\n-0.000000 0.000000 4.191263\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202845 0.500000 0.500000 B\n0.500000 0.500000 0.797154 B\n0.500000 0.500000 0.202845 B\n0.500000 0.202845 0.500000 B\n0.500000 0.797154 0.500000 B\n0.797154 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sr",
"B"
],
"chemical_system": "B-Sr",
"density": 3.4390962389826307,
"density_atomic": 0.0950743356888372,
"volume": 73.62659911618903,
"volume_molar": 6.334139193682599,
"formula_full": "Sr1 B6",
"formula_reduced": "SrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.21520883,
"spacegroup": 221
},
{
"id": "jvasp-46459",
"created_at": "2022-09-04T14:38:10.830463Z",
"updated_at": "2022-09-04T14:38:10.830496Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n-0.037951 4.172356 4.172356\n4.172356 -0.037951 4.172356\n4.172356 4.172356 -0.037951\nLi Ti Fe O\n2 3 1 8\ndirect\n0.119910 0.119910 0.119910 Li\n0.500032 0.500032 0.500032 Li\n0.498432 0.008323 0.498432 Ti\n0.498432 0.498432 0.008323 Ti\n0.008323 0.498432 0.498432 Ti\n0.882354 0.882354 0.882354 Fe\n0.259007 0.259007 0.259007 O\n0.712696 0.251535 0.251535 O\n0.251535 0.712696 0.251535 O\n0.251535 0.251535 0.712696 O\n0.746522 0.746522 0.281484 O\n0.746522 0.281484 0.746522 O\n0.281484 0.746522 0.746522 O\n0.743224 0.743224 0.743224 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.849068699213486,
"density_atomic": 0.09507553812169155,
"volume": 147.25133590178325,
"volume_molar": 6.33405908498986,
"formula_full": "Li2 Ti3 Fe1 O8",
"formula_reduced": "Li2Ti3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9454541785714285,
"spacegroup": 160
},
{
"id": "jvasp-94831",
"created_at": "2022-09-04T14:36:20.630811Z",
"updated_at": "2022-09-04T14:36:20.630836Z",
"structure_string": "Sr1 B6\n1.0\n4.191240 -0.000000 0.000000\n0.000000 4.191240 -0.000000\n0.000000 -0.000000 4.191240\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202844 0.500000 0.500000 B\n0.500000 0.500000 0.797156 B\n0.500000 0.202844 0.500000 B\n0.500000 0.500000 0.202844 B\n0.500000 0.797156 0.500000 B\n0.797156 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sr",
"B"
],
"chemical_system": "B-Sr",
"density": 3.439152856819524,
"density_atomic": 0.09507590089750154,
"volume": 73.6253870215386,
"volume_molar": 6.334034916474037,
"formula_full": "Sr1 B6",
"formula_reduced": "SrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.21520883,
"spacegroup": 221
},
{
"id": "jvasp-9755",
"created_at": "2022-09-04T14:38:11.181603Z",
"updated_at": "2022-09-04T14:38:11.181632Z",
"structure_string": "Na2 Mg1 C2 O6\n1.0\n4.520541 -0.017829 4.145139\n1.812033 4.141515 4.145139\n-0.027380 -0.017829 6.133248\nNa Mg C O\n2 1 2 6\ndirect\n0.197796 0.197797 0.197797 Na\n0.802203 0.802204 0.802204 Na\n0.000000 0.000000 0.000000 Mg\n0.590521 0.590523 0.590523 C\n0.409477 0.409478 0.409478 C\n0.193264 0.700600 0.338603 O\n0.700599 0.338603 0.193265 O\n0.338603 0.193265 0.700600 O\n0.806735 0.299401 0.661398 O\n0.661396 0.806736 0.299401 O\n0.299400 0.661398 0.806736 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Na",
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-Na-O",
"density": 2.731325962223883,
"density_atomic": 0.0950764582806122,
"volume": 115.69635847744969,
"volume_molar": 6.333997783369284,
"formula_full": "Na2 Mg1 C2 O6",
"formula_reduced": "Na2Mg(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.4850389136363638,
"spacegroup": 148
},
{
"id": "jvasp-42521",
"created_at": "2022-09-04T14:37:50.883800Z",
"updated_at": "2022-09-04T14:37:50.883819Z",
"structure_string": "Li4 Ti4 Ni2 O12\n1.0\n5.130907 -0.037658 -0.000000\n-2.611021 4.417032 0.000000\n0.000000 -0.000000 10.253982\nLi Ti Ni O\n4 4 2 12\ndirect\n0.165513 0.665512 0.750000 Li\n0.334488 0.834487 0.250000 Li\n0.665513 0.165512 0.750000 Li\n0.834488 0.334487 0.250000 Li\n0.160180 0.839819 0.500000 Ti\n0.339820 0.660180 0.000000 Ti\n0.660181 0.339819 0.000000 Ti\n0.839820 0.160180 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.504904 0.142431 0.391062 O\n0.844786 0.844785 0.398445 O\n0.357569 0.995095 0.891062 O\n0.655214 0.655213 0.898444 O\n0.344786 0.344786 0.101555 O\n0.004904 0.642431 0.108937 O\n0.495096 0.857568 0.608937 O\n0.142431 0.504904 0.391062 O\n0.995096 0.357568 0.891062 O\n0.857569 0.495095 0.608937 O\n0.155214 0.155214 0.601555 O\n0.642431 0.004904 0.108937 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.7936463920265986,
"density_atomic": 0.09508100023450072,
"volume": 231.3816634841959,
"volume_molar": 6.33369521265809,
"formula_full": "Li4 Ti4 Ni2 O12",
"formula_reduced": "Li2Ti2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.4742209151515158,
"spacegroup": 64
},
{
"id": "jvasp-43644",
"created_at": "2022-09-04T14:35:45.611597Z",
"updated_at": "2022-09-04T14:35:45.611625Z",
"structure_string": "Cr4 O6\n1.0\n5.082358 0.000000 0.000000\n-2.541179 1.467151 4.701538\n2.541179 -4.401452 0.000000\nCr O\n4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.311712 0.935135 0.311712 Cr\n0.500000 0.500000 0.500000 Cr\n0.688289 0.064865 0.688288 Cr\n0.285480 0.781653 0.609202 O\n0.390798 0.218347 0.113029 O\n0.113030 0.218347 0.714520 O\n0.886971 0.781653 0.285480 O\n0.609203 0.781653 0.886970 O\n0.714520 0.218347 0.390798 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.799478793092717,
"density_atomic": 0.09508211333290643,
"volume": 105.17225216679272,
"volume_molar": 6.333621065946407,
"formula_full": "Cr4 O6",
"formula_reduced": "Cr2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.17519706,
"spacegroup": 148
},
{
"id": "jvasp-116328",
"created_at": "2022-09-04T14:38:42.464608Z",
"updated_at": "2022-09-04T14:38:42.464648Z",
"structure_string": "Mg1 V1 O3\n1.0\n3.746440 0.000000 -0.000000\n0.000000 3.746440 0.000000\n-0.000000 -0.000000 3.746440\nMg V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 V\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.8918940105051023,
"density_atomic": 0.09508536092165487,
"volume": 52.584330032881994,
"volume_molar": 6.333404744566216,
"formula_full": "Mg1 V1 O3",
"formula_reduced": "MgVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81172275,
"spacegroup": 221
},
{
"id": "jvasp-46869",
"created_at": "2022-09-04T14:38:02.354896Z",
"updated_at": "2022-09-04T14:38:02.354921Z",
"structure_string": "Li2 V1 F4\n1.0\n1.587319 2.431519 2.903473\n-2.068342 4.818041 -0.000060\n-0.000066 -0.000100 5.807066\nLi V F\n2 1 4\ndirect\n0.001836 0.500005 0.748913 Li\n0.001845 0.499995 0.248908 Li\n0.001769 0.000001 0.998946 V\n0.476856 0.524906 0.761382 F\n0.526667 0.475095 0.236475 F\n0.501720 0.000000 0.498941 F\n0.501759 0.000001 0.998956 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.176310467001409,
"density_atomic": 0.09508597250154584,
"volume": 73.61758854478981,
"volume_molar": 6.333364008978397,
"formula_full": "Li2 V1 F4",
"formula_reduced": "Li2VF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4324807614285714,
"spacegroup": 139
},
{
"id": "jvasp-47303",
"created_at": "2022-09-04T14:38:04.714671Z",
"updated_at": "2022-09-04T14:38:04.714696Z",
"structure_string": "Li4 Mn2 F12\n1.0\n0.000000 4.976863 0.026573\n5.174089 0.000000 0.000000\n0.000000 -5.009419 -7.377722\nLi Mn F\n4 2 12\ndirect\n0.492855 0.238450 0.495693 Li\n0.740469 0.310750 0.231702 Li\n0.492855 0.761550 -0.004307 Li\n0.740469 0.689250 0.731702 Li\n0.998423 0.242584 0.001091 Mn\n0.998423 0.757416 0.501091 Mn\n0.252555 0.570920 0.453397 F\n0.751000 0.069196 0.062043 F\n0.080027 0.062920 0.428586 F\n0.367684 0.801571 0.733954 F\n0.655358 0.689880 0.268936 F\n0.751000 0.930804 0.562043 F\n0.252555 0.429081 0.953397 F\n0.892885 0.531571 0.074015 F\n0.080026 0.937080 0.928585 F\n0.367684 0.198430 0.233954 F\n0.892885 0.468430 0.574015 F\n0.655358 0.310121 0.768936 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.207344484953067,
"density_atomic": 0.09509068335260402,
"volume": 189.29299238764042,
"volume_molar": 6.333050250222106,
"formula_full": "Li4 Mn2 F12",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3148109929310344,
"spacegroup": 7
},
{
"id": "jvasp-30333",
"created_at": "2022-09-04T14:38:05.150628Z",
"updated_at": "2022-09-04T14:38:05.150651Z",
"structure_string": "Mn5 Co1 O12\n1.0\n2.469125 4.288980 -0.458940\n-2.496006 4.292144 -0.229470\n-0.404543 -0.702709 8.960788\nMn Co O\n5 1 12\ndirect\n0.166661 0.666678 0.500000 Mn\n0.666665 0.666669 -0.000000 Mn\n0.333334 0.333331 -0.000000 Mn\n0.833340 0.333321 0.500000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n-0.034996 0.330827 0.893669 O\n0.365814 -0.000000 0.106327 O\n0.704168 0.330827 0.106332 O\n0.868907 0.666558 0.608136 O\n0.202342 -0.000001 0.608118 O\n0.131093 0.333441 0.391864 O\n0.464534 0.666559 0.391864 O\n0.634187 -0.000001 0.893673 O\n0.295832 0.669172 0.893669 O\n0.034995 0.669172 0.106332 O\n0.535466 0.333440 0.608136 O\n0.797659 -0.000001 0.391882 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.61091711333135,
"density_atomic": 0.09509155828141352,
"volume": 189.2912507199733,
"volume_molar": 6.332991980400725,
"formula_full": "Mn5 Co1 O12",
"formula_reduced": "Mn5CoO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.639426617049808,
"spacegroup": 12
}
]
}