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=408",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=406",
"results": [
{
"id": "jvasp-104647",
"created_at": "2022-09-04T14:36:54.750429Z",
"updated_at": "2022-09-04T14:36:54.750453Z",
"structure_string": "Co4 N1\n1.0\n3.717302 0.000000 0.000000\n0.000000 3.717302 0.000000\n-0.000000 -0.000000 3.717302\nCo N\n4 1\ndirect\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 8.073331110186546,
"density_atomic": 0.09733890765775609,
"volume": 51.366921206677354,
"volume_molar": 6.186776598288802,
"formula_full": "Co4 N1",
"formula_reduced": "Co4N",
"formula_anonymous": "AB4",
"energy_above_hull": 3.904665370000001,
"spacegroup": 221
},
{
"id": "jvasp-88414",
"created_at": "2022-09-04T14:36:16.742152Z",
"updated_at": "2022-09-04T14:36:16.742181Z",
"structure_string": "Er4 Fe4 O12\n1.0\n5.078417 0.000000 0.000000\n0.000000 5.525085 0.000000\n0.000000 0.000000 7.322784\nEr Fe O\n4 4 12\ndirect\n0.975821 0.078404 0.249999 Er\n0.524179 0.578404 0.249999 Er\n0.024179 0.921597 0.749999 Er\n0.475821 0.421597 0.749999 Er\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.393222 0.967715 0.249999 O\n0.893222 0.532287 0.749999 O\n0.686799 0.304134 0.447647 O\n0.686799 0.304134 0.052353 O\n0.186798 0.195866 0.947647 O\n0.813202 0.804134 0.447647 O\n0.313202 0.695867 0.552353 O\n0.313202 0.695867 0.947647 O\n0.813202 0.804134 0.052353 O\n0.186798 0.195866 0.552353 O\n0.106778 0.467714 0.249999 O\n0.606778 0.032286 0.749999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Fe",
"O"
],
"chemical_system": "Er-Fe-O",
"density": 8.763923624008719,
"density_atomic": 0.09733890335804843,
"volume": 205.4676939027412,
"volume_molar": 6.186776871574506,
"formula_full": "Er4 Fe4 O12",
"formula_reduced": "ErFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0299751999999995,
"spacegroup": 62
},
{
"id": "jvasp-95463",
"created_at": "2022-09-04T14:36:35.135839Z",
"updated_at": "2022-09-04T14:36:35.135854Z",
"structure_string": "H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O",
"density": 1.4459469729159837,
"density_atomic": 0.09733680171480112,
"volume": 369.84983444885273,
"volume_molar": 6.186910453093579,
"formula_full": "H20 C8 Cl4 O4",
"formula_reduced": "H5C2ClO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 3.5706897297222224,
"spacegroup": 14
},
{
"id": "jvasp-49695",
"created_at": "2022-09-04T14:37:19.417391Z",
"updated_at": "2022-09-04T14:37:19.417418Z",
"structure_string": "Mg6 Ti4 O14\n1.0\n5.346001 -0.000000 -0.000000\n-0.000000 4.988539 -1.345578\n0.000000 -0.169309 9.292245\nMg Ti O\n6 4 14\ndirect\n0.704382 0.739736 -0.000000 Mg\n0.204382 0.260264 -0.000000 Mg\n0.821128 0.561649 0.610918 Mg\n0.321128 0.438351 0.389082 Mg\n0.821128 0.950730 0.389082 Mg\n0.321128 0.049270 0.610918 Mg\n0.762715 0.347724 0.212149 Ti\n0.262715 0.652276 0.787850 Ti\n0.262715 0.864425 0.212149 Ti\n0.762715 0.135575 0.787850 Ti\n0.312650 0.635912 -0.000000 O\n0.812650 0.364088 -0.000000 O\n0.420804 0.159285 0.159366 O\n0.920804 0.840715 0.840633 O\n0.052107 0.569595 0.265023 O\n0.552107 0.430405 0.734976 O\n0.194730 0.079380 0.412878 O\n0.052107 0.304571 0.734976 O\n0.694730 0.333500 0.412878 O\n0.194730 0.666500 0.587121 O\n0.920804 0.000081 0.159366 O\n0.694730 0.920620 0.587121 O\n0.552107 0.695429 0.265023 O\n0.420804 0.999919 0.840633 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.7796598065554177,
"density_atomic": 0.09732577288240664,
"volume": 246.59449690677386,
"volume_molar": 6.187611545891569,
"formula_full": "Mg6 Ti4 O14",
"formula_reduced": "Mg3Ti2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.975133193055556,
"spacegroup": 36
},
{
"id": "jvasp-36367",
"created_at": "2022-09-04T14:37:15.839193Z",
"updated_at": "2022-09-04T14:37:15.839224Z",
"structure_string": "Re1 N1\n1.0\n1.398830 -2.422845 0.000000\n1.398830 2.422845 0.000000\n-0.000000 -0.000000 3.031706\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.666667 0.333333 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.178387786548836,
"density_atomic": 0.09732453728604101,
"volume": 20.549802298282845,
"volume_molar": 6.18769010152154,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy_above_hull": 4.296955625,
"spacegroup": 187
},
{
"id": "jvasp-63811",
"created_at": "2022-09-04T14:35:53.596049Z",
"updated_at": "2022-09-04T14:35:53.596074Z",
"structure_string": "Zr3 Co9 B6\n1.0\n3.870789 -4.209801 -0.019934\n3.870789 4.209802 -0.019933\n-0.678369 0.000000 5.678526\nZr Co B\n3 9 6\ndirect\n0.669692 0.669692 0.669693 Zr\n0.000000 0.000000 0.000000 Zr\n0.330308 0.330308 0.330309 Zr\n0.196474 0.694593 0.694601 Co\n0.694593 0.694600 0.196475 Co\n0.694600 0.196474 0.694594 Co\n0.803526 0.305407 0.305401 Co\n0.305407 0.305400 0.803527 Co\n0.305401 0.803526 0.305408 Co\n0.000000 0.500000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000007 0.376259 0.623750 B\n0.376259 0.623749 0.000008 B\n0.623749 0.000007 0.376260 B\n-0.000007 0.623741 0.376251 B\n0.623741 0.376251 -0.000006 B\n0.376251 -0.000007 0.623742 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Co",
"B"
],
"chemical_system": "B-Co-Zr",
"density": 7.801494259042529,
"density_atomic": 0.09732244995038723,
"volume": 184.95218738508936,
"volume_molar": 6.187822812793913,
"formula_full": "Zr3 Co9 B6",
"formula_reduced": "ZrCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.179052061111111,
"spacegroup": 166
},
{
"id": "jvasp-106894",
"created_at": "2022-09-04T14:36:50.799668Z",
"updated_at": "2022-09-04T14:36:50.799690Z",
"structure_string": "Li2 Mn2 O2 F4\n1.0\n4.465087 0.002292 2.773792\n-1.736278 4.567130 -2.189567\n-0.022353 0.029637 5.016583\nLi Mn O F\n2 2 2 4\ndirect\n0.410646 0.342065 0.446314 Li\n0.981141 0.842001 0.946264 Li\n0.733533 0.212785 0.734703 Mn\n0.240598 0.712795 0.234710 Mn\n0.362994 0.998143 0.025049 O\n0.106144 0.498163 0.525076 O\n0.002472 0.014050 0.662332 F\n0.632268 0.960287 0.326487 F\n0.497614 0.460326 0.826507 F\n0.845283 0.514030 0.162360 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.745253246670272,
"density_atomic": 0.09732208546945044,
"volume": 102.75160002750883,
"volume_molar": 6.187845986808782,
"formula_full": "Li2 Mn2 O2 F4",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.006466261275862,
"spacegroup": 9
},
{
"id": "jvasp-85476",
"created_at": "2022-09-04T14:35:43.080862Z",
"updated_at": "2022-09-04T14:35:43.080887Z",
"structure_string": "Zr3 Co9 B6\n1.0\n5.700271 -0.019969 -0.460803\n-0.497923 5.678589 -0.460772\n-0.018377 -0.019958 5.718874\nZr Co B\n3 9 6\ndirect\n0.330303 0.330309 0.330305 Zr\n0.669696 0.669691 0.669695 Zr\n0.000000 -0.000000 -0.000000 Zr\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.803544 0.305417 0.305408 Co\n0.694589 0.196456 0.694580 Co\n-0.000000 -0.000000 0.500000 Co\n0.305411 0.803544 0.305419 Co\n0.305416 0.305411 0.803544 Co\n0.694584 0.694588 0.196456 Co\n0.196455 0.694583 0.694592 Co\n0.623756 -0.000000 0.376244 B\n0.376241 0.623752 -0.000004 B\n-0.000000 0.623755 0.376244 B\n0.000000 0.376245 0.623755 B\n0.623760 0.376247 0.000005 B\n0.376243 0.000000 0.623756 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Co",
"B"
],
"chemical_system": "B-Co-Zr",
"density": 7.8013776686890175,
"density_atomic": 0.09732099550352519,
"volume": 184.95495146623318,
"volume_molar": 6.1879152888256925,
"formula_full": "Zr3 Co9 B6",
"formula_reduced": "ZrCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.179063727777778,
"spacegroup": 166
},
{
"id": "jvasp-70827",
"created_at": "2022-09-04T14:36:00.570283Z",
"updated_at": "2022-09-04T14:36:00.570308Z",
"structure_string": "Be2 Tc1 Ni1\n1.0\n3.974488 0.000000 -0.000000\n0.000000 3.974488 0.000000\n-0.000000 0.000000 2.602107\nBe Tc Ni\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Tc\n0.500000 0.500000 0.500001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Ni"
],
"chemical_system": "Be-Ni-Tc",
"density": 7.058275882526974,
"density_atomic": 0.0973133582505779,
"volume": 41.10432598266894,
"volume_molar": 6.188400922813941,
"formula_full": "Be2 Tc1 Ni1",
"formula_reduced": "Be2TcNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.494536525,
"spacegroup": 123
},
{
"id": "jvasp-46834",
"created_at": "2022-09-04T14:38:18.221548Z",
"updated_at": "2022-09-04T14:38:18.221563Z",
"structure_string": "Mg3 Mn4 O7\n1.0\n-3.079480 -0.000015 -0.000729\n-0.000066 -4.306985 -0.000100\n1.537126 2.153335 10.847669\nMg Mn O\n3 4 7\ndirect\n0.712556 0.716439 0.429219 Mg\n0.570919 0.574751 0.145808 Mg\n0.854096 0.858184 0.712631 Mg\n0.997980 0.001907 0.000108 Mn\n0.141339 0.145155 0.286646 Mn\n0.283746 0.287743 0.571793 Mn\n0.426972 0.431034 0.858332 Mn\n0.142812 0.646649 0.289628 O\n0.282262 0.786256 0.568810 O\n0.420417 0.924495 0.845256 O\n0.004567 0.508443 0.013184 O\n0.712559 0.216449 0.429219 O\n0.571164 0.074979 0.146282 O\n0.853850 0.357940 0.712157 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.670592426859537,
"density_atomic": 0.09730999127125861,
"volume": 143.87011875249266,
"volume_molar": 6.1886150448959025,
"formula_full": "Mg3 Mn4 O7",
"formula_reduced": "Mg3Mn4O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.6162293296798027,
"spacegroup": 71
},
{
"id": "jvasp-112414",
"created_at": "2022-09-04T14:38:40.060141Z",
"updated_at": "2022-09-04T14:38:40.060161Z",
"structure_string": "Li2 Fe2 Ge4 O12\n1.0\n6.320741 0.046383 0.946476\n0.450286 6.304852 0.946476\n-0.054772 -0.051376 5.145036\nLi Fe Ge O\n2 2 4 12\ndirect\n0.268852 0.731148 0.250001 Li\n0.731149 0.268851 0.750002 Li\n0.912276 0.087723 0.250001 Fe\n0.087724 0.912276 0.750001 Fe\n0.399098 0.203690 0.294455 Ge\n0.796310 0.600901 0.205547 Ge\n0.600903 0.796309 0.705547 Ge\n0.203691 0.399097 0.794456 Ge\n0.643283 0.120681 0.124562 O\n0.565105 0.707017 0.400403 O\n0.356718 0.879317 0.875441 O\n0.120682 0.643282 0.624562 O\n0.189529 0.027038 0.383665 O\n0.707018 0.565104 0.900404 O\n0.810472 0.972961 0.616337 O\n0.027039 0.189528 0.883666 O\n0.292983 0.434895 0.099599 O\n0.972962 0.810471 0.116337 O\n0.434895 0.292982 0.599600 O\n0.879318 0.356716 0.375440 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ge",
"O"
],
"chemical_system": "Fe-Ge-Li-O",
"density": 4.913009080083334,
"density_atomic": 0.09730513291233814,
"volume": 205.5390029426087,
"volume_molar": 6.188924036952218,
"formula_full": "Li2 Fe2 Ge4 O12",
"formula_reduced": "LiFe(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.24649284,
"spacegroup": 15
},
{
"id": "jvasp-30588",
"created_at": "2022-09-04T14:37:16.841279Z",
"updated_at": "2022-09-04T14:37:16.841304Z",
"structure_string": "Cr1 O2\n1.0\n2.678775 0.014913 4.107571\n1.232146 2.378629 4.107571\n0.024367 0.014913 4.903814\nCr O\n1 2\ndirect\n0.500003 0.499998 0.499999 Cr\n0.758226 0.758221 0.758222 O\n0.241779 0.241775 0.241776 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.523932935606361,
"density_atomic": 0.09730505400840901,
"volume": 30.830875441893724,
"volume_molar": 6.188929055503706,
"formula_full": "Cr1 O2",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2663081333333333,
"spacegroup": 166
}
]
}