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=-formula_anonymous&page=587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=585",
"results": [
{
"id": "jvasp-36637",
"created_at": "2022-09-04T14:37:18.671266Z",
"updated_at": "2022-09-04T14:37:18.671298Z",
"structure_string": "Mg1 Zr1 O3\n1.0\n4.104790 -0.000000 0.000000\n0.000000 4.104790 0.000000\n-0.000000 0.000000 4.104790\nMg Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"O"
],
"chemical_system": "Mg-O-Zr",
"density": 3.9261443878207287,
"density_atomic": 0.07229315415328841,
"volume": 69.16284202233227,
"volume_molar": 8.33016740040256,
"formula_full": "Mg1 Zr1 O3",
"formula_reduced": "MgZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.73244081,
"spacegroup": 221
},
{
"id": "jvasp-12645",
"created_at": "2022-09-04T14:37:19.462737Z",
"updated_at": "2022-09-04T14:37:19.462752Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n4.765867 -0.020819 3.220363\n1.699702 4.452521 3.220363\n-0.030372 -0.020819 5.751809\nMn Sn O\n2 2 6\ndirect\n0.363712 0.363710 0.363711 Mn\n0.636290 0.636288 0.636288 Mn\n0.149838 0.149839 0.149840 Sn\n0.850163 0.850161 0.850160 Sn\n0.764980 0.445900 0.047205 O\n0.445900 0.047205 0.764980 O\n0.047206 0.764979 0.445900 O\n0.235021 0.554100 0.952793 O\n0.952795 0.235021 0.554098 O\n0.554101 0.952792 0.235020 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 5.989423290570011,
"density_atomic": 0.08136648139358219,
"volume": 122.90073048173808,
"volume_molar": 7.401254984678493,
"formula_full": "Mn2 Sn2 O6",
"formula_reduced": "MnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.206681888275862,
"spacegroup": 148
},
{
"id": "jvasp-106280",
"created_at": "2022-09-04T14:37:13.228879Z",
"updated_at": "2022-09-04T14:37:13.228904Z",
"structure_string": "Yb1 Ga1 O3\n1.0\n3.817350 0.000000 0.000000\n0.000000 3.817350 0.000000\n0.000000 -0.000000 3.817350\nYb Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"O"
],
"chemical_system": "Ga-O-Yb",
"density": 8.679597932574497,
"density_atomic": 0.08988434582783385,
"volume": 55.62703887924037,
"volume_molar": 6.699877163855562,
"formula_full": "Yb1 Ga1 O3",
"formula_reduced": "YbGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8221047049999999,
"spacegroup": 221
},
{
"id": "jvasp-36598",
"created_at": "2022-09-04T14:37:19.435636Z",
"updated_at": "2022-09-04T14:37:19.435662Z",
"structure_string": "Hf1 Hg1 O3\n1.0\n4.113699 -0.000000 0.000000\n0.000000 4.113699 -0.000000\n-0.000000 -0.000000 4.113699\nHf Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Hg",
"O"
],
"chemical_system": "Hf-Hg-O",
"density": 10.187296999602752,
"density_atomic": 0.07182447677818073,
"volume": 69.61415139078228,
"volume_molar": 8.384524371264815,
"formula_full": "Hf1 Hg1 O3",
"formula_reduced": "HfHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9307116199999996,
"spacegroup": 221
},
{
"id": "jvasp-8082",
"created_at": "2022-09-04T14:37:06.161888Z",
"updated_at": "2022-09-04T14:37:06.161914Z",
"structure_string": "Sr1 Ti1 O3\n1.0\n3.931643 0.000000 0.000000\n0.000000 3.931643 0.000000\n0.000000 0.000000 3.931643\nSr Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti",
"density": 5.013348649011639,
"density_atomic": 0.08227118932136576,
"volume": 60.77461674303891,
"volume_molar": 7.319865933232662,
"formula_full": "Sr1 Ti1 O3",
"formula_reduced": "SrTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5515530286666668,
"spacegroup": 221
},
{
"id": "jvasp-45400",
"created_at": "2022-09-04T14:37:05.940805Z",
"updated_at": "2022-09-04T14:37:05.940823Z",
"structure_string": "Ca4 P4 S12\n1.0\n0.000000 6.548404 0.002718\n7.283498 0.000000 0.000000\n0.000000 -6.192883 -9.184805\nCa P S\n4 4 12\ndirect\n0.712639 0.618612 0.752767 Ca\n0.287362 0.118611 0.747234 Ca\n0.287361 0.381389 0.247234 Ca\n0.712639 0.881389 0.252766 Ca\n0.363467 0.609857 0.933312 P\n0.636533 0.109857 0.566689 P\n0.636533 0.390144 0.066689 P\n0.363467 0.890144 0.433311 P\n0.778282 0.304504 0.952618 S\n0.221719 0.804504 0.547383 S\n0.113913 0.493018 0.737748 S\n0.886088 0.993018 0.762252 S\n0.886087 0.506983 0.262252 S\n0.416640 0.190965 0.066347 S\n0.583361 0.809035 0.933653 S\n0.416640 0.309035 0.566348 S\n0.778281 0.195496 0.452618 S\n0.583360 0.690965 0.433653 S\n0.113913 0.006982 0.237748 S\n0.221718 0.695496 0.047382 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"P",
"S"
],
"chemical_system": "Ca-P-S",
"density": 2.5365472340558917,
"density_atomic": 0.04566738485840496,
"volume": 437.94931682669045,
"volume_molar": 13.186962158380833,
"formula_full": "Ca4 P4 S12",
"formula_reduced": "CaPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5170511840000005,
"spacegroup": 14
},
{
"id": "jvasp-1139",
"created_at": "2022-09-04T14:37:13.204152Z",
"updated_at": "2022-09-04T14:37:13.204191Z",
"structure_string": "La2 Al2 O6\n1.0\n4.667327 -0.006649 2.682654\n1.549169 4.402733 2.682654\n-0.009401 -0.006649 5.383353\nLa Al O\n2 2 6\ndirect\n0.750001 0.749999 0.749998 La\n0.250000 0.250000 0.249999 La\n0.500001 0.499999 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.285049 0.749999 0.214950 O\n0.750001 0.214951 0.285048 O\n0.214952 0.285048 0.749999 O\n0.714952 0.249999 0.785047 O\n0.785050 0.714951 0.249999 O\n0.250001 0.785048 0.714950 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Al",
"O"
],
"chemical_system": "Al-La-O",
"density": 6.4083269558467,
"density_atomic": 0.0902162595304116,
"volume": 110.8447640375628,
"volume_molar": 6.675227715431891,
"formula_full": "La2 Al2 O6",
"formula_reduced": "LaAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.57781966,
"spacegroup": 167
},
{
"id": "jvasp-42709",
"created_at": "2022-09-04T14:37:13.341327Z",
"updated_at": "2022-09-04T14:37:13.341378Z",
"structure_string": "V4 O4 F12\n1.0\n5.612674 -0.014090 -0.003143\n0.330178 5.618024 -0.034398\n0.005012 0.049856 8.071938\nV O F\n4 4 12\ndirect\n0.077611 0.045667 -0.000017 V\n0.567739 0.488151 0.000019 V\n0.457031 0.939622 0.499988 V\n0.958213 0.439833 0.500014 V\n0.278554 0.242604 -0.000061 O\n0.758026 0.248462 0.500073 O\n0.252171 0.753236 0.499916 O\n0.781311 0.278150 0.000112 O\n0.482558 0.502045 0.789727 F\n0.991613 0.513868 0.710906 F\n-0.008047 0.012963 0.791169 F\n0.731111 0.734327 0.500131 F\n0.236750 0.239595 0.499875 F\n0.495068 0.009947 0.288904 F\n-0.008745 0.513983 0.289102 F\n0.482211 0.502091 0.210249 F\n0.494670 0.010002 0.711089 F\n0.247978 0.765996 -0.000115 F\n0.992292 0.012863 0.208863 F\n0.731881 0.746599 0.000058 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.233666029116292,
"density_atomic": 0.07856302762668867,
"volume": 254.57267373954662,
"volume_molar": 7.665362374545526,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8048417094999998,
"spacegroup": 6
},
{
"id": "jvasp-42372",
"created_at": "2022-09-04T14:37:12.373911Z",
"updated_at": "2022-09-04T14:37:12.373932Z",
"structure_string": "Na2 Fe2 O6\n1.0\n4.964223 0.000000 0.000000\n-2.482112 1.433047 5.212544\n2.482112 -4.299144 -0.000000\nNa Fe O\n2 2 6\ndirect\n0.643730 0.931191 0.643729 Na\n0.356269 0.068808 0.356268 Na\n0.160606 0.481818 0.160605 Fe\n0.839394 0.518181 0.839393 Fe\n0.044563 0.299519 0.438130 O\n0.561870 0.700480 0.183174 O\n0.183175 0.700480 0.955436 O\n0.816825 0.299519 0.044562 O\n0.438130 0.299519 0.816825 O\n0.955437 0.700480 0.561868 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.7864152841576826,
"density_atomic": 0.0898911614004475,
"volume": 111.2456424436654,
"volume_molar": 6.699369177323835,
"formula_full": "Na2 Fe2 O6",
"formula_reduced": "NaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.823907,
"spacegroup": 148
},
{
"id": "jvasp-10146",
"created_at": "2022-09-04T14:37:12.376334Z",
"updated_at": "2022-09-04T14:37:12.376361Z",
"structure_string": "Ti2 Hg2 O6\n1.0\n4.742768 0.004510 2.903988\n1.629220 4.454157 2.903988\n0.006444 0.004510 5.561201\nTi Hg O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.750001 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n0.167106 0.750001 0.332894 O\n0.750000 0.332894 0.167107 O\n0.332893 0.167107 0.750000 O\n0.832893 0.250000 0.667107 O\n0.667106 0.832894 0.250000 O\n0.249999 0.667107 0.832894 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Hg",
"O"
],
"chemical_system": "Hg-O-Ti",
"density": 8.392323601589025,
"density_atomic": 0.08524012068215489,
"volume": 117.31564807713265,
"volume_molar": 7.064913460711162,
"formula_full": "Ti2 Hg2 O6",
"formula_reduced": "TiHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5999866866666663,
"spacegroup": 167
},
{
"id": "jvasp-9397",
"created_at": "2022-09-04T14:37:05.813675Z",
"updated_at": "2022-09-04T14:37:05.813698Z",
"structure_string": "Ba2 Ce2 O6\n1.0\n5.407641 0.000000 3.122013\n1.824958 5.129690 3.083286\n-0.007355 -0.017387 6.257034\nBa Ce O\n2 2 6\ndirect\n0.750001 0.259133 0.740865 Ba\n0.250001 0.740866 0.259134 Ba\n0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.499999 Ce\n0.204114 0.295886 0.295886 O\n0.295887 0.704114 0.704113 O\n0.795887 0.704114 0.704113 O\n0.704114 0.295886 0.295886 O\n0.250001 0.168261 0.831737 O\n0.750000 0.831738 0.168262 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O",
"density": 6.216022679906832,
"density_atomic": 0.05751233027454372,
"volume": 173.87575763777093,
"volume_molar": 10.471042872463016,
"formula_full": "Ba2 Ce2 O6",
"formula_reduced": "BaCeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.271628394,
"spacegroup": 74
},
{
"id": "jvasp-30671",
"created_at": "2022-09-04T14:37:08.105398Z",
"updated_at": "2022-09-04T14:37:08.105425Z",
"structure_string": "Al6 Sb6 O18\n1.0\n5.672394 0.000000 0.000000\n-2.836197 4.912437 -0.000000\n0.000000 0.000000 13.070217\nAl Sb O\n6 6 18\ndirect\n0.666666 0.333333 0.265575 Al\n0.333333 0.666667 0.765576 Al\n0.666666 0.333333 0.765576 Al\n0.333333 0.666667 0.265575 Al\n0.000000 0.000000 0.729920 Al\n0.000000 0.000000 0.229920 Al\n0.297261 0.000000 0.984114 Sb\n0.297261 0.297262 0.484114 Sb\n-0.000000 0.702739 0.484114 Sb\n0.702738 0.702739 0.984114 Sb\n0.702738 0.000000 0.484114 Sb\n-0.000000 0.297262 0.984114 Sb\n-0.000000 0.473094 0.851717 O\n-0.000000 0.315778 0.195578 O\n-0.000000 0.684223 0.695578 O\n0.315777 0.315778 0.695578 O\n0.315778 0.000000 0.195578 O\n0.526906 0.000000 0.351717 O\n0.526906 0.526907 0.851717 O\n-0.000000 0.526907 0.351717 O\n0.666666 0.333333 0.527727 O\n0.473093 0.000000 0.851717 O\n0.000000 0.000000 0.364249 O\n0.000000 0.000000 0.864249 O\n0.333333 0.666667 0.027727 O\n0.684222 0.684223 0.195578 O\n0.333333 0.666667 0.527727 O\n0.666666 0.333333 0.027727 O\n0.473093 0.473094 0.351717 O\n0.684222 0.000000 0.695578 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"Sb",
"O"
],
"chemical_system": "Al-O-Sb",
"density": 5.382031769906572,
"density_atomic": 0.08237113949375242,
"volume": 364.20523237116805,
"volume_molar": 7.3109839162256085,
"formula_full": "Al6 Sb6 O18",
"formula_reduced": "AlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.84864788,
"spacegroup": 185
}
]
}