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{
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"results": [
{
"id": "jvasp-117012",
"created_at": "2022-09-04T14:38:46.042838Z",
"updated_at": "2022-09-04T14:38:46.042850Z",
"structure_string": "Na2 Cd2 Rh8 O16\n1.0\n3.087859 -0.000000 0.000000\n0.000000 9.101029 0.065857\n-0.000000 -0.013475 10.890796\nNa Cd Rh O\n2 2 8 16\ndirect\n0.250000 0.734946 0.842160 Na\n0.750000 0.265055 0.157841 Na\n0.250000 0.236507 0.660922 Cd\n0.750000 0.763494 0.339079 Cd\n0.750000 0.410426 0.901557 Rh\n0.750000 0.908213 0.601326 Rh\n0.250000 0.091788 0.398674 Rh\n0.250000 0.589575 0.098444 Rh\n0.750000 0.949297 0.115704 Rh\n0.250000 0.557336 0.617809 Rh\n0.250000 0.050703 0.884297 Rh\n0.750000 0.442665 0.382191 Rh\n0.250000 0.385501 0.024529 O\n0.250000 0.804465 0.163297 O\n0.250000 0.305652 0.336205 O\n0.750000 0.116797 0.526987 O\n0.750000 0.614499 0.975472 O\n0.250000 0.883204 0.473014 O\n0.750000 0.548484 0.214340 O\n0.250000 0.586216 0.430520 O\n0.250000 0.451517 0.785660 O\n0.250000 0.968522 0.708928 O\n0.750000 0.413785 0.569481 O\n0.750000 0.914720 0.931456 O\n0.750000 0.694348 0.663796 O\n0.250000 0.085281 0.068545 O\n0.750000 0.031478 0.291073 O\n0.750000 0.195536 0.836703 O\n",
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"elements": [
"Na",
"Cd",
"Rh",
"O"
],
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"density_atomic": 0.0914842981413032,
"volume": 306.06345098425805,
"volume_molar": 6.582704226137724,
"formula_full": "Na2 Cd2 Rh8 O16",
"formula_reduced": "NaCd(RhO2)4",
"formula_anonymous": "ABC4D8",
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"spacegroup": 11
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{
"id": "jvasp-122013",
"created_at": "2022-09-04T14:38:53.653237Z",
"updated_at": "2022-09-04T14:38:53.653270Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.794660 0.061939 0.995295\n1.486759 4.713398 0.439363\n0.380225 -0.247127 10.252569\nLi Mn Co O\n8 2 4 14\ndirect\n0.074790 0.500022 0.850278 Li\n0.651433 0.500018 0.696885 Li\n0.217229 0.500086 0.565308 Li\n0.781436 0.500059 0.437045 Li\n0.352755 0.499942 0.294649 Li\n0.923719 0.499965 0.152684 Li\n0.498481 0.499961 0.003110 Li\n0.717175 0.000069 0.565517 Li\n-0.001166 0.999976 0.002402 Mn\n0.575291 -0.000028 0.849551 Mn\n0.855650 0.000008 0.288658 Co\n0.427990 -0.000000 0.144032 Co\n0.143770 -0.000006 0.712552 Co\n0.284506 0.000023 0.430869 Co\n0.255792 0.223919 0.001024 O\n0.743316 0.776043 0.000886 O\n0.313108 0.775661 0.860641 O\n0.882829 0.771862 0.724542 O\n0.432210 0.773805 0.572690 O\n0.037421 0.773703 0.419166 O\n0.595957 0.785118 0.284368 O\n0.171244 0.776233 0.140473 O\n0.392804 0.227986 0.724635 O\n0.995022 0.226192 0.572860 O\n0.543184 0.226416 0.419253 O\n0.119528 0.214914 0.284507 O\n0.688233 0.223771 0.140599 O\n0.826310 0.224282 0.860800 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530267312385017,
"density_atomic": 0.1221978273459614,
"volume": 229.13664349143923,
"volume_molar": 4.928189715640661,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5550131100985225,
"spacegroup": 5
},
{
"id": "jvasp-120422",
"created_at": "2022-09-04T14:38:52.807372Z",
"updated_at": "2022-09-04T14:38:52.807402Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.957778 -0.008550 0.576966\n4.154977 2.704774 0.576966\n-0.012305 -0.003641 17.490970\nLi Mn Co O\n8 2 4 14\ndirect\n0.294476 0.294475 0.931293 Li\n0.856587 0.856584 0.776304 Li\n0.408868 0.408867 0.625283 Li\n-0.002956 -0.002956 0.501135 Li\n0.567312 0.567310 0.360931 Li\n0.142039 0.142038 0.220227 Li\n0.720151 0.720149 0.078668 Li\n0.710123 0.710121 0.562205 Li\n0.007409 0.007409 0.006073 Mn\n0.580143 0.580141 0.860400 Mn\n0.856428 0.856425 0.285134 Co\n0.431355 0.431354 0.145578 Co\n0.132729 0.132728 0.697572 Co\n0.282802 0.282800 0.427639 Co\n0.063141 0.063140 0.108562 O\n0.374452 0.374451 0.040922 O\n0.948737 0.948734 0.903614 O\n0.514286 0.514284 0.765326 O\n0.058536 0.058536 0.608816 O\n0.656171 0.656168 0.454969 O\n0.229593 0.229592 0.320158 O\n0.804147 0.804144 0.180642 O\n0.208656 0.208655 0.834073 O\n0.770808 0.770805 0.680605 O\n0.350069 0.350068 0.520635 O\n0.910659 0.910656 0.385868 O\n0.485125 0.485123 0.247137 O\n0.638189 0.638187 0.970239 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.413658405744303,
"density_atomic": 0.11905245996295337,
"volume": 235.19043628928804,
"volume_molar": 5.058392545499658,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5594952529556654,
"spacegroup": 8
},
{
"id": "jvasp-111993",
"created_at": "2022-09-04T14:38:53.165429Z",
"updated_at": "2022-09-04T14:38:53.165453Z",
"structure_string": "Li4 V2 Cr6 O16\n1.0\n5.080603 0.003343 2.933838\n1.688230 9.410122 2.933923\n-0.000199 0.000265 5.867599\nLi V Cr O\n4 2 6 16\ndirect\n0.437198 0.688448 0.437171 Li\n0.937196 0.188447 0.937171 Li\n0.062813 0.811558 0.062810 Li\n0.562812 0.311559 0.562815 Li\n0.250013 0.249985 0.249994 V\n0.750014 0.749986 0.749991 V\n-0.000003 0.000002 0.500000 Cr\n-0.000000 0.500002 0.500003 Cr\n-0.000001 0.500001 0.000007 Cr\n0.499992 0.000003 0.000002 Cr\n0.499995 0.000000 0.500003 Cr\n0.499993 0.499998 0.000011 Cr\n0.142524 0.122164 0.142587 O\n0.857460 0.877841 0.407289 O\n0.357460 0.377843 0.907293 O\n0.857452 0.877839 0.857410 O\n0.357453 0.377838 0.357415 O\n0.642522 0.622162 0.642590 O\n0.642531 0.622156 0.092724 O\n0.868617 0.394239 0.868584 O\n0.092755 0.622142 0.642557 O\n0.592752 0.122140 0.142555 O\n0.631375 0.105766 0.631422 O\n0.131378 0.605766 0.131427 O\n0.907272 0.377862 0.357441 O\n0.368614 0.894239 0.368578 O\n0.142531 0.122155 0.592719 O\n0.407272 0.877860 0.857436 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.1299062749104625,
"density_atomic": 0.09982376411711369,
"volume": 280.4943316618503,
"volume_molar": 6.032772670177812,
"formula_full": "Li4 V2 Cr6 O16",
"formula_reduced": "Li2VCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.314274600000001,
"spacegroup": 166
},
{
"id": "jvasp-111982",
"created_at": "2022-09-04T14:38:53.754326Z",
"updated_at": "2022-09-04T14:38:53.754352Z",
"structure_string": "Li4 Mn4 Sb4 O16\n1.0\n6.256732 0.000020 -0.000035\n0.000021 6.122209 -0.000025\n-0.000051 -0.000033 8.991886\nLi Mn Sb O\n4 4 4 16\ndirect\n0.000000 0.250000 0.102130 Li\n0.500000 0.750000 0.602130 Li\n-0.000001 0.750000 0.897870 Li\n0.499999 0.250000 0.397869 Li\n0.500000 0.000001 0.000000 Mn\n0.000001 0.000001 0.499999 Mn\n0.000001 0.500001 0.500001 Mn\n0.500000 0.500001 -0.000002 Mn\n0.250001 0.250000 0.749999 Sb\n0.749999 0.749999 0.249998 Sb\n0.749999 0.250000 0.750001 Sb\n0.250000 0.749999 0.250000 Sb\n0.269463 0.750001 0.027391 O\n0.769463 0.250001 0.527391 O\n0.269465 0.250001 0.972609 O\n0.769465 0.750000 0.472608 O\n0.730536 0.250000 0.972608 O\n0.230536 0.749999 0.472608 O\n0.499998 0.975162 0.251169 O\n0.500002 0.024837 0.748831 O\n0.500002 0.524838 0.251170 O\n0.000003 0.024838 0.751171 O\n0.499997 0.475162 0.748829 O\n-0.000003 0.975161 0.248829 O\n0.230534 0.250001 0.527392 O\n0.000002 0.524837 0.248830 O\n-0.000002 0.475163 0.751170 O\n0.730534 0.750000 0.027392 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.775485203630009,
"density_atomic": 0.08129269750220885,
"volume": 344.43438168894806,
"volume_molar": 7.407972603980042,
"formula_full": "Li4 Mn4 Sb4 O16",
"formula_reduced": "LiMnSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.398678191625616,
"spacegroup": 74
},
{
"id": "jvasp-112970",
"created_at": "2022-09-04T14:38:46.030627Z",
"updated_at": "2022-09-04T14:38:46.030654Z",
"structure_string": "Ba4 Ge4 Pb4 O16\n1.0\n6.265355 -0.000000 0.000000\n0.000000 7.647312 0.000000\n-0.000000 -0.000000 10.313548\nBa Ge Pb O\n4 4 4 16\ndirect\n0.475465 0.750153 0.788909 Ba\n0.975465 0.749847 0.211091 Ba\n0.024535 0.249847 0.288909 Ba\n0.524536 0.250153 0.711091 Ba\n0.518635 0.960169 0.089339 Ge\n0.018635 0.539831 0.910661 Ge\n0.981366 0.039831 0.589339 Ge\n0.481366 0.460169 0.410661 Ge\n0.565714 0.443016 0.091020 Pb\n0.065714 0.056983 0.908980 Pb\n0.934287 0.556983 0.591020 Pb\n0.434287 0.943016 0.408980 Pb\n0.798346 0.514919 0.801196 O\n0.298345 0.985081 0.198804 O\n0.410803 0.237870 0.447529 O\n0.910803 0.262130 0.552472 O\n0.089198 0.762130 0.947529 O\n0.589198 0.737869 0.052471 O\n0.256156 0.552630 0.334603 O\n0.937466 0.442197 0.060619 O\n0.243844 0.447370 0.834603 O\n0.743845 0.052630 0.165397 O\n0.562535 0.557803 0.560620 O\n0.062535 0.942197 0.439381 O\n0.201655 0.014919 0.698804 O\n0.437465 0.057803 0.939381 O\n0.756157 0.947369 0.665397 O\n0.701655 0.485081 0.301196 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ge",
"Pb",
"O"
],
"chemical_system": "Ba-Ge-O-Pb",
"density": 6.467555587669123,
"density_atomic": 0.056662462481382535,
"volume": 494.15430911072565,
"volume_molar": 10.628095737947644,
"formula_full": "Ba4 Ge4 Pb4 O16",
"formula_reduced": "BaGePbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3992852485714282,
"spacegroup": 19
},
{
"id": "jvasp-119389",
"created_at": "2022-09-04T14:38:52.423430Z",
"updated_at": "2022-09-04T14:38:52.423454Z",
"structure_string": "Li4 Ti5 Co3 O16\n1.0\n5.733970 -0.027825 0.031761\n2.792439 5.008140 0.031761\n-0.000394 -0.000230 9.487742\nLi Ti Co O\n4 5 3 16\ndirect\n0.332817 0.332818 0.108759 Li\n0.011324 0.011324 0.007440 Li\n0.008111 0.008111 0.503805 Li\n0.663119 0.663120 0.598093 Li\n0.824497 0.824498 0.276348 Ti\n0.651032 0.159316 0.781123 Ti\n0.335269 0.335269 0.497820 Ti\n0.159316 0.651031 0.781123 Ti\n0.654294 0.654294 0.007654 Ti\n0.343541 0.833236 0.287616 Co\n0.174624 0.174623 0.788375 Co\n0.833235 0.343542 0.287616 Co\n0.832763 0.832764 0.904816 O\n0.827012 0.335409 0.905568 O\n0.665354 0.665355 0.396115 O\n0.517455 0.967977 0.159253 O\n0.967976 0.517456 0.159253 O\n0.169778 0.169778 0.396731 O\n0.031734 0.488911 0.652690 O\n0.481999 0.481999 0.664428 O\n0.171839 0.671593 0.403280 O\n0.006928 0.006928 0.194865 O\n0.004487 0.004487 0.693612 O\n0.335845 0.335845 0.901775 O\n0.521391 0.521392 0.170850 O\n0.671593 0.171840 0.403280 O\n0.488912 0.031734 0.652690 O\n0.335409 0.827012 0.905568 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.254121353047618,
"density_atomic": 0.10249192491531744,
"volume": 273.1922541520673,
"volume_molar": 5.8757221751622986,
"formula_full": "Li4 Ti5 Co3 O16",
"formula_reduced": "Li4Ti5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.1336960845238093,
"spacegroup": 8
},
{
"id": "jvasp-119587",
"created_at": "2022-09-04T14:38:52.309324Z",
"updated_at": "2022-09-04T14:38:52.309360Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.068490 0.006132 2.002681\n1.418641 5.899288 1.961548\n-0.015215 0.017927 6.382244\nLi Mn Co O\n8 2 4 14\ndirect\n0.918598 0.227081 0.364698 Li\n0.212720 0.367199 0.924779 Li\n0.510094 0.500322 0.508732 Li\n0.648435 0.075924 0.782074 Li\n0.362911 0.921788 0.214318 Li\n0.060762 0.773757 0.645503 Li\n0.786803 0.630674 0.067417 Li\n0.849734 0.435761 0.712287 Li\n0.995801 0.003886 -0.000043 Mn\n0.284590 0.149259 0.570427 Mn\n0.430136 0.713620 0.855785 Co\n0.717094 0.853935 0.429972 Co\n0.572828 0.286599 0.140087 Co\n0.141302 0.568835 0.287162 Co\n0.113161 0.688810 0.975382 O\n0.886888 0.299368 0.042228 O\n0.188447 0.451740 0.590395 O\n0.452940 0.595838 0.164234 O\n0.598153 0.168431 0.456388 O\n0.307950 0.031667 0.884951 O\n0.029856 0.878820 0.310763 O\n0.729790 0.757147 0.740085 O\n0.985659 0.097425 0.687426 O\n0.259763 0.256399 0.261892 O\n0.529427 0.403458 0.840699 O\n0.688623 0.975238 0.114256 O\n0.406084 0.833392 0.541725 O\n0.831436 0.553633 0.386374 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.543994005946036,
"density_atomic": 0.12256808632057307,
"volume": 228.4444576116401,
"volume_molar": 4.913302427068394,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5536895386699507,
"spacegroup": 1
},
{
"id": "jvasp-122506",
"created_at": "2022-09-04T14:38:54.202940Z",
"updated_at": "2022-09-04T14:38:54.202966Z",
"structure_string": "Li4 Ni4 As4 O16\n1.0\n4.892397 -0.000000 0.000000\n0.000000 5.911706 0.000000\n-0.000000 -0.000000 10.308754\nLi Ni As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.993472 0.249999 0.270694 Ni\n0.506529 0.249999 0.770693 Ni\n0.006529 0.750001 0.729305 Ni\n0.493471 0.750001 0.229306 Ni\n0.562403 0.750001 0.906641 As\n0.937597 0.750001 0.406640 As\n0.437598 0.249999 0.093359 As\n0.062403 0.249999 0.593359 As\n0.270461 0.476212 0.169328 O\n0.770462 0.523788 0.330672 O\n0.270461 0.023788 0.169328 O\n0.770462 0.976213 0.330672 O\n0.729539 0.523788 0.830671 O\n0.229539 0.476212 0.669328 O\n0.792070 0.750001 0.559858 O\n0.212832 0.750001 0.905720 O\n0.292070 0.249999 0.940141 O\n0.707931 0.750001 0.059858 O\n0.287168 0.750001 0.405720 O\n0.712835 0.249999 0.594280 O\n0.229539 0.023788 0.669328 O\n0.787167 0.249999 0.094280 O\n0.207930 0.249999 0.440142 O\n0.729539 0.976213 0.830671 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"As",
"O"
],
"chemical_system": "As-Li-Ni-O",
"density": 4.556963195856795,
"density_atomic": 0.09391118840807922,
"volume": 298.1540376033741,
"volume_molar": 6.412591366463756,
"formula_full": "Li4 Ni4 As4 O16",
"formula_reduced": "LiNiAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0273840214285714,
"spacegroup": 62
},
{
"id": "jvasp-119626",
"created_at": "2022-09-04T14:38:52.614918Z",
"updated_at": "2022-09-04T14:38:52.614943Z",
"structure_string": "La12 Ir4 Br12\n1.0\n9.937873 -0.000000 -3.513569\n-4.968937 8.606451 -3.513569\n-0.000000 -0.000000 10.540706\nLa Ir Br\n12 4 12\ndirect\n0.263831 0.750000 0.236168 La\n0.486168 0.750000 0.013831 La\n0.236168 0.472336 0.486168 La\n0.013832 0.027663 0.263832 La\n0.236168 0.263832 0.750000 La\n0.013832 0.486168 0.750000 La\n0.486168 0.236168 0.472337 La\n0.263832 0.013832 0.027663 La\n0.750000 0.236168 0.263832 La\n0.750000 0.013832 0.486168 La\n0.472336 0.486168 0.236168 La\n0.027663 0.263832 0.013832 La\n0.250000 0.250000 0.250000 Ir\n-0.000000 0.250000 0.500000 Ir\n0.250000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.250000 Ir\n0.250000 0.990738 0.509262 Br\n0.518523 0.509262 0.759262 Br\n0.250000 0.759262 0.740738 Br\n0.981476 0.740738 0.990738 Br\n0.990738 0.509262 0.250000 Br\n0.740738 0.990738 0.981477 Br\n0.759261 0.740738 0.250000 Br\n0.509261 0.759262 0.518523 Br\n0.509261 0.250000 0.990738 Br\n0.759261 0.518523 0.509262 Br\n0.740738 0.250000 0.759262 Br\n0.990738 0.981477 0.740738 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Ir",
"Br"
],
"chemical_system": "Br-Ir-La",
"density": 6.252419549097197,
"density_atomic": 0.031057807099641035,
"volume": 901.5446554281556,
"volume_molar": 19.390102915764466,
"formula_full": "La12 Ir4 Br12",
"formula_reduced": "La3IrBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3996369164285714,
"spacegroup": 214
},
{
"id": "jvasp-120596",
"created_at": "2022-09-04T14:38:53.582537Z",
"updated_at": "2022-09-04T14:38:53.582563Z",
"structure_string": "Li4 Nb2 Ni3 Sn3 O16\n1.0\n6.089798 -0.007593 0.087547\n3.016841 5.290026 0.087547\n0.020723 0.012020 9.760862\nLi Nb Ni Sn O\n4 2 3 3 16\ndirect\n0.676621 0.676623 0.897674 Li\n0.982477 0.982479 0.985562 Li\n0.991359 0.991362 0.499656 Li\n0.332831 0.332832 0.406835 Li\n0.674843 0.674844 0.500135 Nb\n0.351551 0.351552 0.977979 Nb\n0.829266 0.829268 0.214456 Ni\n0.661198 0.171255 0.712460 Ni\n0.171254 0.661199 0.712460 Ni\n0.170410 0.170411 0.715924 Sn\n0.832895 0.337717 0.214177 Sn\n0.337715 0.832896 0.214177 Sn\n0.161261 0.161262 0.091437 O\n0.663498 0.169718 0.092833 O\n0.336747 0.336748 0.608772 O\n0.039044 0.480855 0.851042 O\n0.480854 0.039045 0.851042 O\n0.828939 0.828941 0.594272 O\n0.516619 0.960163 0.345937 O\n0.512761 0.512763 0.342321 O\n0.335195 0.834370 0.587976 O\n0.996069 0.996071 0.802791 O\n0.994862 0.994864 0.313906 O\n0.668014 0.668015 0.100155 O\n0.489516 0.489517 0.847098 O\n0.834369 0.335196 0.587976 O\n0.960162 0.516621 0.345937 O\n0.169717 0.663499 0.092833 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Sn",
"density": 5.2866489487428625,
"density_atomic": 0.08898528467573433,
"volume": 314.65876748085975,
"volume_molar": 6.7675692469208855,
"formula_full": "Li4 Nb2 Ni3 Sn3 O16",
"formula_reduced": "Li4Nb2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.5298552535714287,
"spacegroup": 8
},
{
"id": "jvasp-122081",
"created_at": "2022-09-04T14:38:52.988724Z",
"updated_at": "2022-09-04T14:38:52.988748Z",
"structure_string": "Dy2 N6 O20\n1.0\n6.789827 -0.349636 2.141099\n2.225255 7.183190 2.895794\n0.108611 0.066967 6.650750\nDy N O\n2 6 20\ndirect\n0.476684 0.731162 0.592086 Dy\n0.523316 0.268838 0.407914 Dy\n0.066818 0.691383 0.778961 N\n0.933182 0.308617 0.221039 N\n0.468424 0.750627 0.145372 N\n0.531576 0.249373 0.854628 N\n0.845986 0.868168 0.315587 N\n0.154014 0.131832 0.684413 N\n0.575879 0.109789 0.789770 O\n0.470944 0.759057 -0.044175 O\n0.529056 0.240943 0.044175 O\n0.179119 0.281047 0.684764 O\n0.309671 0.046534 0.554623 O\n0.820881 0.718953 0.315236 O\n0.424121 0.890211 0.210229 O\n0.690329 0.953466 0.445377 O\n0.484678 0.406968 0.704585 O\n0.853030 0.291615 0.426553 O\n0.115931 0.313169 0.138724 O\n0.884069 0.686831 0.861275 O\n0.994509 0.930480 0.213873 O\n0.146969 0.708385 0.573447 O\n0.818517 0.316631 0.102307 O\n0.181483 0.683369 0.897693 O\n0.215836 0.451051 0.308184 O\n0.784164 0.548948 0.691816 O\n0.515322 0.593032 0.295415 O\n0.005491 0.069520 0.786127 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"N",
"O"
],
"chemical_system": "Dy-N-O",
"density": 3.70467410112057,
"density_atomic": 0.08568693633639467,
"volume": 326.770931453028,
"volume_molar": 7.028073376737307,
"formula_full": "Dy2 N6 O20",
"formula_reduced": "DyN3O10",
"formula_anonymous": "AB3C10",
"energy_above_hull": null,
"spacegroup": 2
}
]
}