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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4124",
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"results": [
{
"id": "jvasp-116500",
"created_at": "2022-09-04T14:38:41.892349Z",
"updated_at": "2022-09-04T14:38:41.892376Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n4.528735 -0.007413 2.184483\n3.647866 2.683759 2.184483\n0.057758 0.018905 8.792746\nLi Mn Co O\n3 2 1 6\ndirect\n0.331849 0.331852 0.848544 Li\n-0.000001 0.000001 0.500000 Li\n0.668149 0.668151 0.151456 Li\n0.672535 0.672539 0.680818 Mn\n0.327462 0.327464 0.319182 Mn\n0.000000 0.000000 0.000000 Co\n0.347437 0.347438 0.066851 O\n0.016671 0.016673 0.765957 O\n0.674009 0.674012 0.403980 O\n0.325989 0.325991 0.596020 O\n0.983326 0.983330 0.234043 O\n0.652561 0.652565 0.933148 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.443935843303184,
"density_atomic": 0.11243411572347974,
"volume": 106.72917132654628,
"volume_molar": 5.356150774388481,
"formula_full": "Li3 Mn2 Co1 O6",
"formula_reduced": "Li3Mn2CoO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.7208096985632184,
"spacegroup": 12
},
{
"id": "jvasp-116518",
"created_at": "2022-09-04T14:38:41.964305Z",
"updated_at": "2022-09-04T14:38:41.964333Z",
"structure_string": "Li4 Cu8 S6\n1.0\n7.644400 0.099822 2.393336\n6.655590 3.761642 2.393336\n0.088518 0.023903 9.868468\nLi Cu S\n4 8 6\ndirect\n0.825379 0.825377 0.915555 Li\n0.276312 0.276311 0.358486 Li\n0.723690 0.723687 0.641515 Li\n0.174622 0.174622 0.084446 Li\n0.541696 0.541695 0.093368 Cu\n0.545494 0.545492 0.362937 Cu\n0.088356 0.088355 0.531195 Cu\n0.090491 0.090489 0.879433 Cu\n0.911646 0.911643 0.468806 Cu\n0.454508 0.454506 0.637064 Cu\n0.458306 0.458304 0.906633 Cu\n0.909511 0.909509 0.120568 Cu\n0.669738 0.669737 0.432108 S\n0.011271 0.011271 0.242338 S\n0.330263 0.330262 0.567893 S\n0.326968 0.326967 0.095579 S\n0.673034 0.673031 0.904422 S\n-0.011271 -0.011272 0.757662 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 4.377023421874144,
"density_atomic": 0.06512678010796345,
"volume": 276.38400010196466,
"volume_molar": 9.24679640236603,
"formula_full": "Li4 Cu8 S6",
"formula_reduced": "Li2Cu4S3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.6402524222222223,
"spacegroup": 12
},
{
"id": "jvasp-116843",
"created_at": "2022-09-04T14:38:41.983364Z",
"updated_at": "2022-09-04T14:38:41.983388Z",
"structure_string": "Na4 Mn2 O6\n1.0\n5.147871 0.000311 0.829773\n-2.777959 4.333996 0.829773\n-0.001392 -0.002547 5.604956\nNa Mn O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.342822 0.657179 -0.000001 Na\n0.657179 0.342822 -0.000001 Na\n0.500000 0.500000 0.500000 Na\n0.167391 0.832610 0.500000 Mn\n0.832609 0.167390 0.500000 Mn\n0.568050 0.943973 0.299219 O\n0.431950 0.056027 0.700780 O\n0.806264 0.806264 0.701154 O\n0.943973 0.568050 0.299219 O\n0.056028 0.431950 0.700780 O\n0.193736 0.193736 0.298846 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.9540220730443987,
"density_atomic": 0.09594017610895554,
"volume": 125.07794426364264,
"volume_molar": 6.2769748860590875,
"formula_full": "Na4 Mn2 O6",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5378542902298853,
"spacegroup": 12
},
{
"id": "jvasp-116259",
"created_at": "2022-09-04T14:38:42.159123Z",
"updated_at": "2022-09-04T14:38:42.159156Z",
"structure_string": "Mg1 Al1 O2\n1.0\n2.511122 -1.589823 0.438248\n2.511122 1.589823 0.438248\n-0.869844 0.000000 5.306917\nMg Al O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.153986 0.153986 0.705981 O\n0.846013 0.846013 0.294020 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.173071696176548,
"density_atomic": 0.0917745414679778,
"volume": 43.585072025619326,
"volume_molar": 6.561885969325448,
"formula_full": "Mg1 Al1 O2",
"formula_reduced": "MgAlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8406172125,
"spacegroup": 12
},
{
"id": "jvasp-112763",
"created_at": "2022-09-04T14:38:42.189140Z",
"updated_at": "2022-09-04T14:38:42.189166Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327611820281554,
"density_atomic": 0.12139054926219457,
"volume": 164.75747182592843,
"volume_molar": 4.960963432987376,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396949564137931,
"spacegroup": 12
},
{
"id": "jvasp-111847",
"created_at": "2022-09-04T14:38:42.108002Z",
"updated_at": "2022-09-04T14:38:42.108026Z",
"structure_string": "Mg6 Mo2 N8\n1.0\n5.799665 -0.012975 -0.045396\n1.407187 5.626377 -0.045396\n0.006118 0.004765 6.049535\nMg Mo N\n6 2 8\ndirect\n0.150118 0.615102 0.168262 Mg\n0.849883 0.384897 0.831736 Mg\n0.384898 0.849882 0.831736 Mg\n0.615102 0.150117 0.168262 Mg\n0.113718 0.113718 0.323573 Mg\n0.886282 0.886281 0.676425 Mg\n0.668223 0.668222 0.330359 Mo\n0.331778 0.331777 0.669638 Mo\n0.124699 0.124698 0.681786 N\n0.875301 0.875300 0.318212 N\n0.601823 0.151373 0.820248 N\n0.398177 0.848626 0.179750 N\n0.848626 0.398176 0.179750 N\n0.151375 0.601823 0.820248 N\n0.356947 0.356947 0.365699 N\n0.643053 0.643052 0.634299 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"N"
],
"chemical_system": "Mg-Mo-N",
"density": 3.78121352329675,
"density_atomic": 0.0810061110815646,
"volume": 197.5159625165772,
"volume_molar": 7.434180803885698,
"formula_full": "Mg6 Mo2 N8",
"formula_reduced": "Mg3MoN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.37721700625,
"spacegroup": 12
},
{
"id": "jvasp-112657",
"created_at": "2022-09-04T14:38:42.112905Z",
"updated_at": "2022-09-04T14:38:42.112921Z",
"structure_string": "Nb3 Ir1 Se8\n1.0\n5.721812 0.001032 3.918546\n1.510208 5.518914 3.918546\n0.264495 0.201880 8.754457\nNb Ir Se\n3 1 8\ndirect\n0.500000 0.499999 0.000001 Nb\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Ir\n0.032159 0.032158 0.262222 Se\n0.536431 0.536430 0.262645 Se\n0.545690 0.033065 0.260461 Se\n0.033066 0.545690 0.260461 Se\n0.454311 0.966934 0.739540 Se\n0.966935 0.454309 0.739540 Se\n0.967843 0.967841 0.737779 Se\n0.463570 0.463569 0.737356 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.847552938719102,
"density_atomic": 0.04487900313822943,
"volume": 267.3856182375406,
"volume_molar": 13.418615251884106,
"formula_full": "Nb3 Ir1 Se8",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2216971861111108,
"spacegroup": 12
},
{
"id": "jvasp-111893",
"created_at": "2022-09-04T14:38:42.379208Z",
"updated_at": "2022-09-04T14:38:42.379237Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.925486 -0.033453 0.304841\n2.081040 4.462733 0.328035\n0.054031 -0.006258 7.827585\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369879 0.369880 0.290101 P\n0.630121 0.630120 0.709898 P\n0.762150 0.285507 0.687452 O\n0.686224 0.686160 0.890097 O\n0.237851 0.714493 0.312547 O\n0.235445 0.235466 0.438352 O\n0.764556 0.764534 0.561647 O\n0.714506 0.237747 0.312523 O\n0.313776 0.313840 0.109901 O\n0.285494 0.762253 0.687476 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073096308088237,
"density_atomic": 0.06955064946897195,
"volume": 172.53613146133824,
"volume_molar": 8.658640582050362,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-111947",
"created_at": "2022-09-04T14:38:42.234906Z",
"updated_at": "2022-09-04T14:38:42.234930Z",
"structure_string": "Li3 Mn1 Co4 O8\n1.0\n5.006329 0.001055 2.938339\n1.633102 4.732474 2.938339\n-0.005596 -0.003989 5.878557\nLi Mn Co O\n3 1 4 8\ndirect\n-0.000000 0.499999 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.737882 0.737883 0.766310 O\n0.740139 0.267232 0.762195 O\n0.267231 0.740139 0.762196 O\n0.251921 0.251922 0.753552 O\n0.748078 0.748078 0.246450 O\n0.732768 0.259861 0.237806 O\n0.259860 0.732768 0.237806 O\n0.262117 0.262117 0.233691 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 5.235818777526302,
"density_atomic": 0.11479089902829186,
"volume": 139.38387220102328,
"volume_molar": 5.246183112927583,
"formula_full": "Li3 Mn1 Co4 O8",
"formula_reduced": "Li3Mn(CoO2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.930587427586207,
"spacegroup": 12
},
{
"id": "jvasp-111848",
"created_at": "2022-09-04T14:38:42.289900Z",
"updated_at": "2022-09-04T14:38:42.289931Z",
"structure_string": "Mg9 Fe2 N8\n1.0\n7.875741 0.001941 2.417749\n1.180321 4.149068 -0.000000\n0.002828 -0.000804 6.992244\nMg Fe N\n9 2 8\ndirect\n-0.000000 0.500001 0.500000 Mg\n0.085964 0.957019 0.786424 Mg\n0.914036 0.042982 0.213576 Mg\n0.657370 0.671315 0.432165 Mg\n0.342629 0.328686 0.567834 Mg\n0.819997 0.590003 0.954011 Mg\n0.180003 0.409999 0.045989 Mg\n0.669239 0.165381 0.739944 Mg\n0.330761 0.834620 0.260056 Mg\n0.578189 0.210907 0.194034 Fe\n0.421812 0.789095 0.805966 Fe\n0.214562 0.892718 0.017130 N\n0.785438 0.107283 0.982870 N\n0.360128 0.819937 0.581525 N\n0.639872 0.180064 0.418474 N\n0.662497 0.668753 0.738028 N\n0.337502 0.331249 0.261972 N\n0.074682 0.462659 0.748510 N\n0.925318 0.537342 0.251490 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 3.2164838229001615,
"density_atomic": 0.08317327236651297,
"volume": 228.43876956378762,
"volume_molar": 7.240475922917541,
"formula_full": "Mg9 Fe2 N8",
"formula_reduced": "Mg9(FeN4)2",
"formula_anonymous": "A2B8C9",
"energy_above_hull": 2.648841497368421,
"spacegroup": 12
},
{
"id": "jvasp-112628",
"created_at": "2022-09-04T14:38:42.284793Z",
"updated_at": "2022-09-04T14:38:42.284810Z",
"structure_string": "Tb2 Fe17 C2\n1.0\n6.292368 0.012564 0.726286\n0.670974 6.256505 0.726286\n0.026401 0.023769 6.376387\nTb Fe C\n2 17 2\ndirect\n0.647322 0.647322 0.667811 Tb\n0.352677 0.352677 0.332191 Tb\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.724530 0.275470 0.000001 Fe\n0.997752 0.718854 0.282521 Fe\n0.281145 0.002248 0.717481 Fe\n0.002248 0.281145 0.717481 Fe\n0.718855 0.997751 0.282521 Fe\n0.275470 0.724529 0.000001 Fe\n0.146839 0.655942 0.661799 Fe\n0.655942 0.146839 0.661799 Fe\n0.656430 0.656429 0.140855 Fe\n0.853160 0.344057 0.338203 Fe\n0.344057 0.853159 0.338203 Fe\n0.343570 0.343570 0.859147 Fe\n0.092981 0.092981 0.090704 Fe\n0.907018 0.907017 0.909298 Fe\n0.500000 -0.000000 0.500001 C\n-0.000000 0.500000 0.500001 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"C"
],
"chemical_system": "C-Fe-Tb",
"density": 8.550722060647844,
"density_atomic": 0.08374656282720867,
"volume": 250.75655992388081,
"volume_molar": 7.1909109540713585,
"formula_full": "Tb2 Fe17 C2",
"formula_reduced": "Tb2Fe17C2",
"formula_anonymous": "A2B2C17",
"energy_above_hull": 4.42172049047619,
"spacegroup": 12
},
{
"id": "jvasp-115190",
"created_at": "2022-09-04T14:38:43.130030Z",
"updated_at": "2022-09-04T14:38:43.130056Z",
"structure_string": "Li1 I2\n1.0\n4.212433 -0.444537 0.315498\n0.846062 -9.743180 -0.941057\n-0.866989 2.307847 -2.167794\nLi I\n1 2\ndirect\n0.031383 0.930224 -0.165650 Li\n0.691865 0.183915 0.663858 I\n0.370821 0.676493 0.004243 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 4.562869531633247,
"density_atomic": 0.03161447622788321,
"volume": 94.8932374642371,
"volume_molar": 19.048681106058044,
"formula_full": "Li1 I2",
"formula_reduced": "LiI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1034087583333334,
"spacegroup": 12
}
]
}