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=energy_above_hull&page=3621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3619",
"results": [
{
"id": "jvasp-47291",
"created_at": "2022-09-04T14:38:07.474974Z",
"updated_at": "2022-09-04T14:38:07.474987Z",
"structure_string": "Cr6 O4 F4\n1.0\n0.000000 5.499945 -0.023310\n6.412336 0.000000 0.000000\n0.000000 -2.653695 -5.251576\nCr O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.247103 0.877582 0.540360 Cr\n0.252899 0.377581 0.459641 Cr\n0.747103 0.622419 0.540360 Cr\n0.752899 0.122419 0.459641 Cr\n0.474190 0.622262 0.678558 O\n0.025812 0.122262 0.321442 O\n0.974190 0.877739 0.678558 O\n0.525812 0.377738 0.321442 O\n0.130691 0.379788 0.757312 F\n0.630691 0.120212 0.757312 F\n0.369311 0.879789 0.242688 F\n0.869311 0.620212 0.242688 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.04355381228676,
"density_atomic": 0.07542835875877416,
"volume": 185.60658392121596,
"volume_molar": 7.983921245402252,
"formula_full": "Cr6 O4 F4",
"formula_reduced": "Cr3(OF)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.8305228235714286,
"spacegroup": 14
},
{
"id": "jvasp-42301",
"created_at": "2022-09-04T14:35:55.204034Z",
"updated_at": "2022-09-04T14:35:55.204059Z",
"structure_string": "Li2 Mn2 P2 H4 O10\n1.0\n4.777418 0.000000 0.000000\n0.000000 5.616467 0.000000\n0.000000 0.000000 8.215352\nLi Mn P H O\n2 2 2 4 10\ndirect\n0.497629 0.000000 0.568878 Li\n-0.002371 0.500000 0.431122 Li\n0.626747 0.000000 0.979785 Mn\n0.126746 0.500000 0.020214 Mn\n0.188929 0.000000 0.227055 P\n0.688930 0.500000 0.772945 P\n0.665893 0.640292 0.214911 H\n0.165893 0.859708 0.785089 H\n0.165893 0.140292 0.785089 H\n0.665893 0.359708 0.214911 H\n0.833711 0.720935 0.857254 O\n0.238025 0.000000 0.410473 O\n0.875294 0.000000 0.187524 O\n0.292795 0.000000 0.774581 O\n0.333711 0.220935 0.142746 O\n0.833711 0.279066 0.857254 O\n0.792795 0.500000 0.225418 O\n0.738025 0.500000 0.589527 O\n0.375294 0.500000 0.812476 O\n0.333711 0.779066 0.142746 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.6345173458508264,
"density_atomic": 0.09072925951938206,
"volume": 220.43605454233312,
"volume_molar": 6.637484745164837,
"formula_full": "Li2 Mn2 P2 H4 O10",
"formula_reduced": "LiMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.830656024137931,
"spacegroup": 31
},
{
"id": "jvasp-19970",
"created_at": "2022-09-04T14:38:15.300720Z",
"updated_at": "2022-09-04T14:38:15.300740Z",
"structure_string": "Er1 B2\n1.0\n1.633231 -2.828838 0.000000\n1.633231 2.828838 0.000000\n-0.000000 -0.000000 3.808880\nEr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"B"
],
"chemical_system": "B-Er",
"density": 8.91157349285962,
"density_atomic": 0.08523898642896571,
"volume": 35.19516274985347,
"volume_molar": 7.065007471690876,
"formula_full": "Er1 B2",
"formula_reduced": "ErB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8308250555555565,
"spacegroup": 191
},
{
"id": "jvasp-42689",
"created_at": "2022-09-04T14:37:07.777126Z",
"updated_at": "2022-09-04T14:37:07.777142Z",
"structure_string": "Li2 Mn2 P2 H4 O10\n1.0\n4.685520 0.000000 0.000000\n0.000000 5.744080 0.000000\n0.000000 0.000000 7.951426\nLi Mn P H O\n2 2 2 4 10\ndirect\n0.089075 0.000000 0.448810 Li\n0.589075 0.500000 0.551190 Li\n0.027704 0.000000 0.977739 Mn\n0.527704 0.500000 0.022261 Mn\n0.593733 0.000000 0.236300 P\n0.093732 0.500000 0.763701 P\n0.066594 0.636419 0.212917 H\n0.566594 0.863581 0.787083 H\n0.566594 0.136419 0.787083 H\n0.066594 0.363581 0.212917 H\n0.222388 0.714935 0.860803 O\n0.264081 0.000000 0.222744 O\n0.687985 0.000000 0.420461 O\n0.695059 0.000000 0.785144 O\n0.722388 0.214935 0.139197 O\n0.222388 0.285065 0.860803 O\n0.195059 0.500000 0.214857 O\n0.187985 0.500000 0.579540 O\n0.764081 0.500000 0.777256 O\n0.722388 0.785065 0.139197 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.7136909992828753,
"density_atomic": 0.0934558944229811,
"volume": 214.004693053175,
"volume_molar": 6.44383192433407,
"formula_full": "Li2 Mn2 P2 H4 O10",
"formula_reduced": "LiMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.830895024137931,
"spacegroup": 31
},
{
"id": "jvasp-70359",
"created_at": "2022-09-04T14:36:13.388704Z",
"updated_at": "2022-09-04T14:36:13.388733Z",
"structure_string": "Zr1 Be2 Fe1\n1.0\n2.871897 -0.000000 0.000000\n0.000000 2.871897 0.000000\n-0.000000 -0.000000 5.843274\nZr Be Fe\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.823227 Be\n0.000000 0.000000 0.176773 Be\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Zr",
"density": 5.6883294704762655,
"density_atomic": 0.08299769280200128,
"volume": 48.19411076332413,
"volume_molar": 7.255792970494224,
"formula_full": "Zr1 Be2 Fe1",
"formula_reduced": "ZrBe2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.83097555,
"spacegroup": 123
},
{
"id": "jvasp-40731",
"created_at": "2022-09-04T14:38:31.993201Z",
"updated_at": "2022-09-04T14:38:31.993236Z",
"structure_string": "Li6 V2 B4 O12\n1.0\n5.094915 0.031469 0.019817\n0.063760 5.833488 -0.270242\n0.072381 1.672385 7.568712\nLi V B O\n6 2 4 12\ndirect\n0.169762 0.812580 0.895780 Li\n0.343790 0.988370 0.241910 Li\n0.339851 0.739677 0.589045 Li\n0.660150 0.260324 0.410956 Li\n0.656211 0.011631 0.758091 Li\n0.830238 0.187421 0.104221 Li\n0.154879 0.507420 0.248418 V\n0.845122 0.492581 0.751583 V\n0.662057 0.655917 0.076063 B\n0.841983 0.826033 0.415418 B\n0.158018 0.173968 0.584583 B\n0.337944 0.344084 0.923937 B\n0.781960 0.496130 0.208078 O\n0.105478 0.763738 0.391515 O\n0.218041 0.503871 0.791923 O\n0.199848 0.246832 0.070848 O\n0.285474 0.275480 0.428405 O\n0.287666 0.011801 0.698938 O\n0.395114 0.702864 0.095536 O\n0.604886 0.297137 0.904465 O\n0.712335 0.988200 0.301063 O\n0.714526 0.724521 0.571596 O\n0.800152 0.753169 0.929153 O\n0.894522 0.236263 0.608486 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.767909265140443,
"density_atomic": 0.10561928798013506,
"volume": 227.2312231882678,
"volume_molar": 5.701743379611353,
"formula_full": "Li6 V2 B4 O12",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.8309866972222224,
"spacegroup": 2
},
{
"id": "jvasp-46795",
"created_at": "2022-09-04T14:38:08.322574Z",
"updated_at": "2022-09-04T14:38:08.322599Z",
"structure_string": "Li4 Sc2 P2 C2 O14\n1.0\n0.000000 4.804979 0.090515\n6.528101 0.000000 0.000000\n0.000000 -0.291243 -8.777435\nLi Sc P C O\n4 2 2 2 14\ndirect\n0.789881 0.000680 0.199651 Li\n0.789881 0.499319 0.199651 Li\n0.210120 0.500680 0.800350 Li\n0.210120 -0.000680 0.800350 Li\n0.233850 0.250000 0.359077 Sc\n0.766151 0.750000 0.640924 Sc\n0.280294 0.750000 0.408590 P\n0.719707 0.250000 0.591411 P\n0.261086 0.250000 0.062355 C\n0.738915 0.750000 0.937646 C\n0.525027 0.750000 0.837641 O\n0.832970 0.058897 0.675688 O\n0.832970 0.441103 0.675688 O\n0.197653 0.750000 0.578209 O\n0.394883 0.250000 0.583486 O\n0.605118 0.750000 0.416515 O\n0.018670 0.250000 0.122885 O\n0.167031 0.558897 0.324313 O\n0.167031 0.941103 0.324313 O\n0.474974 0.250000 0.162361 O\n0.981331 0.750000 0.877116 O\n0.709666 0.750000 0.080220 O\n0.802348 0.250000 0.421792 O\n0.290335 0.250000 0.919781 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Sc",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sc",
"density": 2.5807698148744063,
"density_atomic": 0.08722416140194172,
"volume": 275.15311829029207,
"volume_molar": 6.904211703737789,
"formula_full": "Li4 Sc2 P2 C2 O14",
"formula_reduced": "Li2ScPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.8309912708333336,
"spacegroup": 11
},
{
"id": "jvasp-62882",
"created_at": "2022-09-04T14:36:18.950222Z",
"updated_at": "2022-09-04T14:36:18.950248Z",
"structure_string": "Ni16 B12\n1.0\n3.001642 0.000000 0.000000\n0.000000 6.604612 0.000000\n0.000000 0.000000 11.987444\nNi B\n16 12\ndirect\n0.750000 0.003993 0.149708 Ni\n0.750000 0.673357 0.875828 Ni\n0.250000 0.173357 0.624171 Ni\n0.750000 0.826643 0.375829 Ni\n0.750000 0.884214 0.699757 Ni\n0.250000 0.384214 0.800243 Ni\n0.250000 0.115785 0.300243 Ni\n0.750000 0.615785 0.199757 Ni\n0.250000 0.326643 0.124171 Ni\n0.250000 0.751373 0.550023 Ni\n0.250000 0.748626 0.050024 Ni\n0.750000 0.248626 0.449976 Ni\n0.750000 0.496007 0.649707 Ni\n0.250000 0.996006 0.850292 Ni\n0.250000 0.503993 0.350292 Ni\n0.750000 0.251374 0.949976 Ni\n0.250000 0.812483 0.243149 B\n0.750000 0.312483 0.256851 B\n0.750000 0.978609 0.537585 B\n0.250000 0.478609 0.962414 B\n0.250000 0.021391 0.462414 B\n0.250000 0.440148 0.524228 B\n0.750000 0.940148 0.975771 B\n0.250000 0.059852 0.024228 B\n0.750000 0.559852 0.475771 B\n0.250000 0.687517 0.743149 B\n0.750000 0.521391 0.037586 B\n0.750000 0.187517 0.756851 B\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 7.468329586220452,
"density_atomic": 0.11782168710684633,
"volume": 237.6472505830634,
"volume_molar": 5.111232836564999,
"formula_full": "Ni16 B12",
"formula_reduced": "Ni4B3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.8311424785714285,
"spacegroup": 62
},
{
"id": "jvasp-65159",
"created_at": "2022-09-04T14:36:05.555355Z",
"updated_at": "2022-09-04T14:36:05.555376Z",
"structure_string": "Na1 Be1 Fe4\n1.0\n0.000000 3.371926 3.371926\n3.371926 -0.000000 3.371926\n3.371926 3.371926 -0.000000\nNa Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Be\n0.123390 0.625538 0.625538 Fe\n0.625538 0.625538 0.625538 Fe\n0.625538 0.123390 0.625538 Fe\n0.625538 0.625538 0.123390 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Na",
"density": 5.530637544747022,
"density_atomic": 0.07825050509227349,
"volume": 76.67682135629363,
"volume_molar": 7.695976853949572,
"formula_full": "Na1 Be1 Fe4",
"formula_reduced": "NaBeFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8311961833333337,
"spacegroup": 216
},
{
"id": "jvasp-119524",
"created_at": "2022-09-04T14:38:51.049017Z",
"updated_at": "2022-09-04T14:38:51.049041Z",
"structure_string": "Ba4 Y2 Mn6 O14\n1.0\n5.549571 0.000135 -0.095787\n2.843000 11.535273 2.726322\n0.136759 0.000131 5.548713\nBa Y Mn O\n4 2 6 14\ndirect\n0.587461 0.825078 0.087465 Ba\n0.087464 0.825078 0.587462 Ba\n0.912539 0.174914 0.412542 Ba\n0.412544 0.174914 0.912538 Ba\n0.749999 0.499998 0.250001 Y\n0.250003 0.499998 0.749998 Y\n0.325522 0.348941 0.325520 Mn\n0.674481 0.651051 0.674481 Mn\n0.173049 0.653907 0.173050 Mn\n0.826945 0.346105 0.826942 Mn\n0.500001 -0.000002 0.500001 Mn\n0.000001 -0.000001 0.000002 Mn\n0.584030 0.831958 0.584031 O\n0.083019 0.833954 0.083021 O\n0.061846 0.377050 0.561086 O\n0.561089 0.377050 0.061844 O\n0.438911 0.622957 0.938145 O\n0.938145 0.622957 0.438912 O\n0.750133 -0.000004 0.249873 O\n0.561562 0.375754 0.561560 O\n0.438431 0.624256 0.438431 O\n0.937326 0.624256 0.937326 O\n0.249872 -0.000005 0.750134 O\n0.916984 0.166045 0.916982 O\n0.062670 0.375755 0.062667 O\n0.415973 0.168032 0.415972 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 5.984814111629465,
"density_atomic": 0.07316680458254095,
"volume": 355.35240534754905,
"volume_molar": 8.230700786182759,
"formula_full": "Ba4 Y2 Mn6 O14",
"formula_reduced": "Ba2YMn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.831284893395225,
"spacegroup": 47
},
{
"id": "jvasp-86715",
"created_at": "2022-09-04T14:36:00.996135Z",
"updated_at": "2022-09-04T14:36:00.996165Z",
"structure_string": "Ca8 Ti2 N8\n1.0\n5.883381 0.014027 1.098294\n1.930148 5.374599 1.898912\n0.011903 -0.004267 8.976162\nCa Ti N\n8 2 8\ndirect\n0.234406 0.955108 0.607566 Ca\n0.772974 0.579399 0.176812 Ca\n0.738370 0.229746 0.980501 Ca\n0.271055 0.519762 0.426933 Ca\n0.765594 0.044892 0.392433 Ca\n0.227025 0.420601 0.823187 Ca\n0.728944 0.480238 0.573066 Ca\n0.261630 0.770255 0.019498 Ca\n0.284874 0.151705 0.243562 Ti\n0.715126 0.848295 0.756437 Ti\n0.970644 0.708419 0.609436 N\n0.510993 0.177260 0.635742 N\n0.029356 0.291581 0.390563 N\n0.516838 0.634168 0.804184 N\n0.116425 0.167870 0.072235 N\n0.489007 0.822740 0.364257 N\n0.483162 0.365832 0.195815 N\n0.883575 0.832130 0.927764 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.094408831211785,
"density_atomic": 0.06347880705603687,
"volume": 283.55920400505056,
"volume_molar": 9.486852446177613,
"formula_full": "Ca8 Ti2 N8",
"formula_reduced": "Ca4TiN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.8314003348148145,
"spacegroup": 2
},
{
"id": "jvasp-86114",
"created_at": "2022-09-04T14:36:13.440743Z",
"updated_at": "2022-09-04T14:36:13.440757Z",
"structure_string": "Ca8 Ti2 N8\n1.0\n5.883254 0.013980 1.098138\n1.930044 5.374745 1.898731\n0.011736 -0.004373 8.975774\nCa Ti N\n8 2 8\ndirect\n0.234418 0.955109 0.607549 Ca\n0.772969 0.579394 0.176816 Ca\n0.738373 0.229742 0.980497 Ca\n0.271056 0.519741 0.426942 Ca\n0.765582 0.044891 0.392451 Ca\n0.227031 0.420606 0.823184 Ca\n0.728944 0.480258 0.573058 Ca\n0.261626 0.770257 0.019503 Ca\n0.284869 0.151703 0.243558 Ti\n0.715130 0.848297 0.756442 Ti\n0.970646 0.708412 0.609434 N\n0.511017 0.177259 0.635742 N\n0.029354 0.291588 0.390566 N\n0.516832 0.634184 0.804185 N\n0.116448 0.167885 0.072204 N\n0.488983 0.822740 0.364258 N\n0.483167 0.365816 0.195815 N\n0.883551 0.832115 0.927796 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.0944950886082245,
"density_atomic": 0.0634805765431746,
"volume": 283.55129994381485,
"volume_molar": 9.48658800523685,
"formula_full": "Ca8 Ti2 N8",
"formula_reduced": "Ca4TiN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.8314003348148145,
"spacegroup": 2
}
]
}