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{
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"results": [
{
"id": "jvasp-117134",
"created_at": "2022-09-04T14:38:50.838304Z",
"updated_at": "2022-09-04T14:38:50.838330Z",
"structure_string": "La6 Mn2 O14\n1.0\n5.311074 0.000000 0.000000\n-0.000000 5.328689 1.464310\n-0.000000 0.047274 10.546288\nLa Mn O\n6 2 14\ndirect\n0.239139 0.403569 0.140203 La\n0.245434 0.063541 0.855088 La\n0.234509 0.241622 0.500280 La\n0.739139 0.596431 0.859797 La\n0.745434 0.936459 0.144912 La\n0.734509 0.758378 0.499720 La\n0.236997 0.648713 0.676073 Mn\n0.736996 0.351287 0.323927 Mn\n0.735530 0.308497 0.495145 O\n0.484953 0.418705 0.709134 O\n0.499837 0.103907 0.326536 O\n0.477283 0.900589 0.668195 O\n0.497267 0.589544 0.291831 O\n0.219654 0.024558 0.075865 O\n-0.000163 0.896092 0.673464 O\n0.235530 0.691503 0.504855 O\n0.977283 0.099410 0.331805 O\n0.739361 0.406401 0.099494 O\n0.997267 0.410456 0.708169 O\n0.984952 0.581294 0.290866 O\n0.239362 0.593598 0.900507 O\n0.719653 0.975441 0.924135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.502265623802251,
"density_atomic": 0.07379987308474015,
"volume": 298.10349368404286,
"volume_molar": 8.160096363695805,
"formula_full": "La6 Mn2 O14",
"formula_reduced": "La3MnO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6666115219435733,
"spacegroup": 4
},
{
"id": "jvasp-97345",
"created_at": "2022-09-04T14:36:04.018423Z",
"updated_at": "2022-09-04T14:36:04.018446Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.547815 0.000000 0.000000\n-0.000000 5.546901 0.000000\n0.000000 0.000000 7.825193\nLa Mn O\n4 4 12\ndirect\n0.005709 0.969342 0.750000 La\n0.494290 0.469343 0.750000 La\n0.505709 0.530657 0.250000 La\n0.994290 0.030657 0.250000 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.780708 0.781541 0.036858 O\n0.719291 0.281541 0.463142 O\n0.719291 0.281541 0.036858 O\n0.569040 0.010888 0.750000 O\n0.430959 0.989112 0.250000 O\n0.219291 0.218459 0.963141 O\n0.280708 0.718459 0.536858 O\n0.219291 0.218459 0.536858 O\n0.780708 0.781541 0.463142 O\n0.069040 0.489112 0.250000 O\n0.280708 0.718459 0.963141 O\n0.930959 0.510888 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.670722273622066,
"density_atomic": 0.08305438231882764,
"volume": 240.80607719439013,
"volume_molar": 7.250840463640216,
"formula_full": "La4 Mn4 O12",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.266194548275862,
"spacegroup": 62
},
{
"id": "jvasp-11795",
"created_at": "2022-09-04T14:37:05.790574Z",
"updated_at": "2022-09-04T14:37:05.790608Z",
"structure_string": "La2 Mn2 O6\n1.0\n4.736237 0.035848 2.791553\n1.610889 4.562320 2.795283\n-0.000503 0.002082 5.587785\nLa Mn O\n2 2 6\ndirect\n0.750001 0.750820 0.749178 La\n0.250000 0.249180 0.250819 La\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.246536 0.685327 0.253538 O\n0.253466 0.246461 0.814671 O\n0.753466 0.314673 0.746459 O\n0.746536 0.753539 0.185326 O\n0.250001 0.812040 0.687958 O\n0.750001 0.187960 0.312039 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.67046887436804,
"density_atomic": 0.08305122735034598,
"volume": 120.40761249458333,
"volume_molar": 7.251115910179156,
"formula_full": "La2 Mn2 O6",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.270956548275862,
"spacegroup": 167
},
{
"id": "jvasp-107088",
"created_at": "2022-09-04T14:37:00.545701Z",
"updated_at": "2022-09-04T14:37:00.545731Z",
"structure_string": "La2 Mn2 O6\n1.0\n5.489518 -0.000030 0.000983\n-2.745428 3.879430 2.744249\n-0.001380 0.000027 5.489517\nLa Mn O\n2 2 6\ndirect\n0.000002 0.000000 0.000002 La\n0.499997 0.000001 0.499996 La\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.750000 Mn\n0.499997 0.499997 0.000004 O\n0.000004 0.500003 0.499997 O\n0.500002 0.500000 0.500002 O\n-0.000001 0.500000 -0.000002 O\n0.500003 0.000014 -0.000003 O\n-0.000003 -0.000014 0.500003 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.87032386900844,
"density_atomic": 0.08553953857847604,
"volume": 116.9050028347506,
"volume_molar": 7.040183826190672,
"formula_full": "La2 Mn2 O6",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.273058548275862,
"spacegroup": 221
},
{
"id": "jvasp-7849",
"created_at": "2022-09-04T14:36:33.495859Z",
"updated_at": "2022-09-04T14:36:33.495868Z",
"structure_string": "La2 Mn2 Sb2 O2\n1.0\n4.208406 0.000000 -0.000000\n0.000000 4.208406 0.000000\n-0.000000 0.000000 9.355220\nLa Mn Sb O\n2 2 2 2\ndirect\n0.500001 0.000000 0.875330 La\n0.000000 0.500001 0.124670 La\n0.000000 0.000000 0.500000 Mn\n0.500001 0.500001 0.500000 Mn\n0.500001 0.000000 0.328040 Sb\n0.000000 0.500001 0.671960 Sb\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Mn",
"Sb",
"O"
],
"chemical_system": "La-Mn-O-Sb",
"density": 6.646731960976141,
"density_atomic": 0.0482837196733591,
"volume": 165.68731767395417,
"volume_molar": 12.472404364742347,
"formula_full": "La2 Mn2 Sb2 O2",
"formula_reduced": "LaMnSbO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.102435460344827,
"spacegroup": 129
},
{
"id": "jvasp-89907",
"created_at": "2022-09-04T14:36:09.179274Z",
"updated_at": "2022-09-04T14:36:09.179294Z",
"structure_string": "La2 Mn2 Se2 O3\n1.0\n4.128398 -0.000000 0.000000\n-0.000000 4.128398 0.000000\n-2.064199 -2.064199 9.445407\nLa Mn Se O\n2 2 2 3\ndirect\n0.314102 0.314102 0.628202 La\n0.685899 0.685899 0.371798 La\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.901107 0.901107 0.802213 Se\n0.098893 0.098893 0.197787 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Mn",
"Se",
"O"
],
"chemical_system": "La-Mn-O-Se",
"density": 6.122982551952806,
"density_atomic": 0.05590603797487404,
"volume": 160.98440036199466,
"volume_molar": 10.771896879379186,
"formula_full": "La2 Mn2 Se2 O3",
"formula_reduced": "La2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.6796157462324395,
"spacegroup": 139
},
{
"id": "jvasp-116765",
"created_at": "2022-09-04T14:38:52.841260Z",
"updated_at": "2022-09-04T14:38:52.841296Z",
"structure_string": "Sr2 La4 Mn4 O14\n1.0\n5.358649 -0.000211 -1.453666\n-0.000220 5.485541 0.000026\n-0.018072 0.000043 10.535704\nSr La Mn O\n2 4 4 14\ndirect\n0.676733 0.000087 0.364817 Sr\n0.188134 0.500021 0.364896 Sr\n0.505243 -0.000081 0.007019 La\n0.002622 0.499980 0.007304 La\n0.827923 0.499933 0.633846 La\n0.305276 0.000139 0.633805 La\n0.901437 -0.000026 0.806677 Mn\n0.096075 -0.000025 0.197086 Mn\n0.405073 0.500010 0.806681 Mn\n0.601252 0.500035 0.197072 Mn\n0.335808 0.249855 0.171093 O\n0.849307 0.750115 0.198582 O\n0.643072 0.250011 0.786303 O\n0.162717 0.749872 0.825822 O\n0.163061 0.249902 0.826099 O\n0.642719 0.750171 0.785995 O\n0.255478 0.499593 0.606248 O\n0.948448 -0.000355 0.995388 O\n0.232147 -0.000001 0.407024 O\n0.674833 0.499979 0.407045 O\n0.335623 0.749907 0.171203 O\n0.850471 0.000323 0.606227 O\n0.547082 0.500399 0.995369 O\n0.849469 0.250148 0.198394 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.300934766148031,
"density_atomic": 0.07753093802275901,
"volume": 309.5538453688624,
"volume_molar": 7.767403456710682,
"formula_full": "Sr2 La4 Mn4 O14",
"formula_reduced": "SrLa2Mn2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.660260441063219,
"spacegroup": 40
},
{
"id": "jvasp-112635",
"created_at": "2022-09-04T14:38:41.986550Z",
"updated_at": "2022-09-04T14:38:41.986572Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n5.472355 0.000630 -0.014026\n-0.111708 7.782171 0.000280\n0.014380 -0.000213 5.529170\nSr La Mn O\n1 3 4 12\ndirect\n0.500006 0.249995 0.002644 Sr\n0.000003 0.749999 0.497162 La\n0.499992 0.750003 -0.000106 La\n0.000001 0.250003 0.500032 La\n0.000225 0.498854 0.000109 Mn\n0.500067 0.001245 0.499822 Mn\n-0.000220 0.001147 0.000112 Mn\n0.499928 0.498756 0.499818 Mn\n0.499992 0.749999 0.447783 O\n-0.000010 0.250001 0.945840 O\n0.220163 0.021435 0.280008 O\n0.727709 0.531874 0.772274 O\n0.500008 0.250001 0.543210 O\n0.729912 0.018371 0.229912 O\n0.775233 0.972103 0.724811 O\n0.270099 0.481627 0.229903 O\n0.779861 0.478572 0.280021 O\n0.224744 0.527892 0.724789 O\n0.000010 0.750000 0.049584 O\n0.272278 0.968128 0.772269 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.460179273511787,
"density_atomic": 0.0849359224148565,
"volume": 235.4716288629099,
"volume_molar": 7.090216469994612,
"formula_full": "Sr1 La3 Mn4 O12",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.0809286137758622,
"spacegroup": 3
},
{
"id": "jvasp-119453",
"created_at": "2022-09-04T14:38:33.539159Z",
"updated_at": "2022-09-04T14:38:33.539177Z",
"structure_string": "Sr1 La2 Mn3 O9\n1.0\n5.478227 0.002254 -0.003991\n-2.741843 4.744774 -0.003044\n0.002905 0.002923 6.703669\nSr La Mn O\n1 2 3 9\ndirect\n0.000003 0.999994 -0.000001 Sr\n0.666656 0.333317 0.330727 La\n0.333350 0.666674 0.669273 La\n0.666681 0.333336 0.834811 Mn\n0.333328 0.666653 0.165190 Mn\n0.000004 -0.000002 0.500000 Mn\n0.830822 0.661599 0.660704 O\n0.169190 0.338400 0.339301 O\n0.830830 0.169251 0.660669 O\n0.169182 0.830746 0.339330 O\n0.338475 0.169254 0.660638 O\n0.661536 0.830742 0.339362 O\n0.500003 0.499991 0.000004 O\n0.000001 0.499991 0.000002 O\n0.500002 -0.000010 -0.000004 O\n",
"nsites": 15,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.423795399769433,
"density_atomic": 0.08606360963010824,
"volume": 174.28969182757172,
"volume_molar": 6.997313714684391,
"formula_full": "Sr1 La2 Mn3 O9",
"formula_reduced": "SrLa2Mn3O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.9289713022758623,
"spacegroup": 164
},
{
"id": "jvasp-101692",
"created_at": "2022-09-04T14:36:34.537668Z",
"updated_at": "2022-09-04T14:36:34.537691Z",
"structure_string": "Sr1 La1 Mn1 O4\n1.0\n3.715569 -0.000000 1.075185\n-0.311130 3.702520 1.075185\n0.022149 0.024088 6.881084\nSr La Mn O\n1 1 1 4\ndirect\n0.358469 0.358469 0.283062 Sr\n0.641632 0.641633 0.716736 La\n0.996963 0.996963 0.006076 Mn\n0.504676 0.004676 0.990648 O\n0.004675 0.504676 0.990648 O\n0.165254 0.165254 0.669491 O\n0.828331 0.828331 0.343339 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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],
"chemical_system": "La-Mn-O-Sr",
"density": 6.072290416002309,
"density_atomic": 0.07409728687809461,
"volume": 94.47039554250415,
"volume_molar": 8.12734313728338,
"formula_full": "Sr1 La1 Mn1 O4",
"formula_reduced": "SrLaMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.056813221625616,
"spacegroup": 107
},
{
"id": "jvasp-106330",
"created_at": "2022-09-04T14:38:18.167972Z",
"updated_at": "2022-09-04T14:38:18.167992Z",
"structure_string": "Sr1 La1 Ti1 Mn1 O6\n1.0\n4.803870 -0.004819 2.717787\n1.582759 4.535644 2.717787\n-0.006793 -0.004819 5.519374\nSr La Ti Mn O\n1 1 1 1 6\ndirect\n0.749995 0.749993 0.749994 Sr\n0.250635 0.250634 0.250635 La\n0.000771 0.000771 0.000771 Ti\n0.499998 0.499997 0.499997 Mn\n0.202935 0.751509 0.294342 O\n0.751511 0.294341 0.202935 O\n0.294342 0.202934 0.751510 O\n0.247727 0.692422 0.809670 O\n0.692423 0.809669 0.247727 O\n0.809671 0.247726 0.692422 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"La",
"Ti",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr-Ti",
"density": 5.864692678160679,
"density_atomic": 0.08303731456597366,
"volume": 120.4277866194112,
"volume_molar": 7.252330824373388,
"formula_full": "Sr1 La1 Ti1 Mn1 O6",
"formula_reduced": "SrLaTiMnO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.5462957884712645,
"spacegroup": 146
},
{
"id": "jvasp-109724",
"created_at": "2022-09-04T14:37:56.073520Z",
"updated_at": "2022-09-04T14:37:56.073541Z",
"structure_string": "La1 Pr1 Mn4 Si4\n1.0\n3.997506 0.000000 0.000000\n0.000000 3.997506 0.000000\n-0.000000 0.000000 10.580778\nLa Pr Mn Si\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Pr\n-0.000000 0.500000 0.252038 Mn\n0.500000 0.000000 0.747962 Mn\n0.500000 0.000000 0.252038 Mn\n-0.000000 0.500000 0.747962 Mn\n0.500000 0.500000 0.131360 Si\n0.000000 0.000000 0.626848 Si\n0.000000 0.000000 0.373152 Si\n0.500000 0.500000 0.868641 Si\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pr",
"Mn",
"Si"
],
"chemical_system": "La-Mn-Pr-Si",
"density": 6.009507491353037,
"density_atomic": 0.05914310880701863,
"volume": 169.08140613016405,
"volume_molar": 10.182320276145749,
"formula_full": "La1 Pr1 Mn4 Si4",
"formula_reduced": "LaPr(MnSi)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.909651821551724,
"spacegroup": 123
}
]
}