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=-density_atomic&page=241",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=239",
"results": [
{
"id": "jvasp-14903",
"created_at": "2022-09-04T14:36:50.954218Z",
"updated_at": "2022-09-04T14:36:50.954246Z",
"structure_string": "Al1 Cr2 B2\n1.0\n2.826180 0.000000 -0.749818\n0.000000 2.945225 0.000000\n0.001697 0.000000 5.707455\nAl Cr B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.352476 0.500001 0.704951 Cr\n0.647525 0.500001 0.295049 Cr\n0.206160 0.000000 0.412321 B\n0.793841 0.000000 0.587679 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Cr",
"B"
],
"chemical_system": "Al-B-Cr",
"density": 5.333305385166088,
"density_atomic": 0.10523857366956466,
"volume": 47.51109622313341,
"volume_molar": 5.722370182352275,
"formula_full": "Al1 Cr2 B2",
"formula_reduced": "Al(CrB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.220926553333333,
"spacegroup": 65
},
{
"id": "jvasp-112315",
"created_at": "2022-09-04T14:38:26.393410Z",
"updated_at": "2022-09-04T14:38:26.393436Z",
"structure_string": "Fe8 O12\n1.0\n5.003533 -0.000000 0.000000\n0.000000 5.101607 0.000000\n-0.000000 -0.000000 7.445311\nFe O\n8 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.998761 0.530799 0.750000 Fe\n0.498761 0.969202 0.250000 Fe\n0.001238 0.469202 0.250000 Fe\n0.501238 0.030799 0.750000 Fe\n0.132527 0.918860 0.750000 O\n0.632527 0.581141 0.250000 O\n0.330294 0.181569 0.430118 O\n0.830293 0.318431 0.930118 O\n0.669706 0.818432 0.569882 O\n0.669706 0.818432 0.930118 O\n0.330294 0.181569 0.069882 O\n0.830293 0.318431 0.569882 O\n0.367473 0.418859 0.750000 O\n0.169706 0.681569 0.430118 O\n0.169706 0.681569 0.069882 O\n0.867472 0.081141 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.5810421507709975,
"density_atomic": 0.10523577017917081,
"volume": 190.04944769206028,
"volume_molar": 5.722522626809221,
"formula_full": "Fe8 O12",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7363043,
"spacegroup": 62
},
{
"id": "jvasp-119742",
"created_at": "2022-09-04T14:38:36.994525Z",
"updated_at": "2022-09-04T14:38:36.994544Z",
"structure_string": "Co6 O7 F5\n1.0\n4.406410 -0.001831 0.006491\n0.249585 4.399336 0.006491\n-0.006213 -0.005868 8.824201\nCo O F\n6 7 5\ndirect\n0.990773 0.997042 0.674982 Co\n0.023172 0.976828 -0.000000 Co\n0.002959 0.009226 0.325017 Co\n0.521725 0.534314 0.826675 Co\n0.498050 0.501950 0.500000 Co\n0.465686 0.478275 0.173324 Co\n0.815147 0.814138 0.835833 O\n0.706773 0.319100 0.665265 O\n0.680900 0.293227 0.334735 O\n0.312733 0.714860 0.666370 O\n0.313403 0.686597 -0.000000 O\n0.185862 0.184853 0.164166 O\n0.285140 0.687267 0.333629 O\n0.794402 0.799537 0.494976 F\n0.222583 0.223607 0.834713 F\n0.200464 0.205597 0.505023 F\n0.703831 0.296169 -0.000000 F\n0.776392 0.777418 0.165287 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.44168739551064,
"density_atomic": 0.10522380100742089,
"volume": 171.06395917716898,
"volume_molar": 5.723173561821141,
"formula_full": "Co6 O7 F5",
"formula_reduced": "Co6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.42476840625,
"spacegroup": 5
},
{
"id": "jvasp-7659",
"created_at": "2022-09-04T14:37:01.251516Z",
"updated_at": "2022-09-04T14:37:01.251550Z",
"structure_string": "Na1 Li2 N1\n1.0\n3.268572 0.000000 1.887110\n1.089524 3.081640 1.887110\n0.000000 0.000000 3.774222\nNa Li N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750000 Li\n0.499999 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 2.222366765120923,
"density_atomic": 0.10521861741457703,
"volume": 38.01608591984633,
"volume_molar": 5.723455513839218,
"formula_full": "Na1 Li2 N1",
"formula_reduced": "NaLi2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4307605625,
"spacegroup": 225
},
{
"id": "jvasp-47554",
"created_at": "2022-09-04T14:36:59.988701Z",
"updated_at": "2022-09-04T14:36:59.988730Z",
"structure_string": "Li4 Ti2 Co4 O12\n1.0\n4.934235 0.012740 0.000000\n2.465618 4.285066 0.000000\n0.000000 0.000000 9.904242\nLi Ti Co O\n4 2 4 12\ndirect\n0.500000 0.164922 0.750000 Li\n0.500000 0.335079 0.250000 Li\n0.500000 0.664922 0.750000 Li\n0.500000 0.835079 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500001 0.500000 Ti\n0.329164 0.335418 0.000000 Co\n0.329164 0.835419 0.500000 Co\n0.670837 0.164582 0.500000 Co\n0.670836 0.664583 0.000000 Co\n0.654847 0.342586 0.893158 O\n0.654847 0.002566 0.106842 O\n0.345153 0.657415 0.106842 O\n0.345153 0.497434 0.606841 O\n0.345154 0.157414 0.393158 O\n-0.000000 0.159823 0.603499 O\n0.345153 0.997435 0.893158 O\n-0.000000 0.659823 0.896501 O\n-0.000000 0.340178 0.103499 O\n0.654847 0.502567 0.393158 O\n-0.000000 0.840178 0.396501 O\n0.654847 0.842587 0.606841 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.377478158679304,
"density_atomic": 0.10521309200870073,
"volume": 209.09945311920575,
"volume_molar": 5.723756088740355,
"formula_full": "Li4 Ti2 Co4 O12",
"formula_reduced": "Li2Ti(CoO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.702101921212121,
"spacegroup": 64
},
{
"id": "jvasp-44628",
"created_at": "2022-09-04T14:37:28.697959Z",
"updated_at": "2022-09-04T14:37:28.697986Z",
"structure_string": "Li5 Nb2 Fe3 O10\n1.0\n5.224726 0.026389 0.013028\n0.897134 5.142089 0.015049\n2.471679 2.181556 7.093406\nLi Nb Fe O\n5 2 3 10\ndirect\n0.502674 0.772428 0.405564 Li\n0.525131 0.575418 0.788076 Li\n-0.000001 0.500000 0.500000 Li\n0.474869 0.424583 0.211925 Li\n0.497325 0.227573 0.594437 Li\n0.010002 0.888804 0.711710 Nb\n0.989997 0.111197 0.288291 Nb\n0.997265 0.300490 0.918803 Fe\n0.002734 0.699511 0.081198 Fe\n0.500000 0.000000 0.000000 Fe\n0.263997 0.354177 0.057376 O\n0.259422 0.965990 0.842359 O\n0.736003 0.645824 0.942625 O\n0.776778 0.860319 0.545201 O\n0.236811 0.765827 0.248906 O\n0.245914 0.565789 0.657403 O\n0.754086 0.434212 0.342598 O\n0.763189 0.234174 0.751095 O\n0.223221 0.139682 0.454800 O\n0.740578 0.034011 0.157642 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.787411477343779,
"density_atomic": 0.10521170055842306,
"volume": 190.0929259183886,
"volume_molar": 5.723831786803942,
"formula_full": "Li5 Nb2 Fe3 O10",
"formula_reduced": "Li5Nb2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.985218515,
"spacegroup": 2
},
{
"id": "jvasp-43333",
"created_at": "2022-09-04T14:36:05.340529Z",
"updated_at": "2022-09-04T14:36:05.340548Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n0.010826 4.057569 4.057569\n4.057569 0.010826 4.057569\n4.057569 4.057569 0.010826\nLi Mn Co O\n2 3 1 8\ndirect\n0.124773 0.124773 0.124773 Li\n0.875228 0.875228 0.875228 Li\n0.500000 0.000001 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.261664 0.261664 0.261664 O\n0.710873 0.262242 0.262242 O\n0.262242 0.710873 0.262242 O\n0.262242 0.262242 0.710873 O\n0.737759 0.737759 0.289127 O\n0.737759 0.289127 0.737759 O\n0.289127 0.737759 0.737759 O\n0.738337 0.738337 0.738337 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.562451705043998,
"density_atomic": 0.10520633542601962,
"volume": 133.0718339661655,
"volume_molar": 5.724123680968556,
"formula_full": "Li2 Mn3 Co1 O8",
"formula_reduced": "Li2Mn3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.100470758866995,
"spacegroup": 166
},
{
"id": "jvasp-36551",
"created_at": "2022-09-04T14:37:27.724435Z",
"updated_at": "2022-09-04T14:37:27.724444Z",
"structure_string": "Cr2 N4\n1.0\n4.635149 0.000000 0.000000\n0.000000 4.635149 0.000000\n0.000000 0.000000 2.654526\nCr N\n2 4\ndirect\n0.500000 0.500000 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.799206 0.200794 0.500001 N\n0.200794 0.799206 0.500001 N\n0.299206 0.299206 0.000000 N\n0.700794 0.700794 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 4.659145436742817,
"density_atomic": 0.10520511808375195,
"volume": 57.03144589623012,
"volume_molar": 5.7241899155570355,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.5019113,
"spacegroup": 136
},
{
"id": "jvasp-52444",
"created_at": "2022-09-04T14:37:27.223116Z",
"updated_at": "2022-09-04T14:37:27.223136Z",
"structure_string": "Cr2 Cd1 H14 N4 O8\n1.0\n5.949831 3.040546 -2.230663\n-5.949831 3.040546 2.230663\n-0.014199 0.000000 7.624164\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.337590 0.662412 0.778865 Cr\n0.662412 0.337590 0.221135 Cr\n0.000000 0.000000 0.000000 Cd\n0.420033 0.851465 0.204213 H\n0.148536 0.579968 0.204213 H\n0.851465 0.420033 0.795786 H\n0.354858 0.645143 0.410417 H\n0.645143 0.354858 0.589583 H\n0.408560 0.591441 0.237693 H\n0.579968 0.148536 0.795786 H\n0.181132 0.092379 0.358177 H\n0.907623 0.818870 0.358177 H\n0.818870 0.907623 0.641823 H\n0.092379 0.181132 0.641823 H\n0.922281 0.077720 0.302422 H\n0.077720 0.922282 0.697576 H\n0.591441 0.408560 0.762307 H\n0.333867 0.666134 0.264744 N\n0.666134 0.333867 0.735255 N\n-0.001037 0.001037 0.708578 N\n0.001037 -0.001037 0.291422 N\n0.208411 0.791590 0.625738 O\n0.130888 0.420394 0.912745 O\n0.579607 0.869113 0.912745 O\n0.869113 0.579607 0.087255 O\n0.420394 0.130888 0.087255 O\n0.428700 0.571301 0.665525 O\n0.571301 0.428701 0.334475 O\n0.791590 0.208411 0.374261 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Cr",
"Cd",
"H",
"N",
"O"
],
"chemical_system": "Cd-Cr-H-N-O",
"density": 2.497104022480177,
"density_atomic": 0.10520173567093218,
"volume": 275.66085117370227,
"volume_molar": 5.724373957894643,
"formula_full": "Cr2 Cd1 H14 N4 O8",
"formula_reduced": "Cr2CdH14(NO2)4",
"formula_anonymous": "AB2C4D8E14",
"energy_above_hull": 3.671372605172414,
"spacegroup": 12
},
{
"id": "jvasp-74962",
"created_at": "2022-09-04T14:36:05.065155Z",
"updated_at": "2022-09-04T14:36:05.065174Z",
"structure_string": "Mn1 Be2 Fe1\n1.0\n2.709989 0.000000 0.000000\n0.000000 2.709989 0.000000\n-0.000000 -0.000000 5.178091\nMn Be Fe\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.765540 Be\n0.000000 0.000000 0.234459 Be\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Mn",
"density": 5.624516656482891,
"density_atomic": 0.10518535008808334,
"volume": 38.02810939594114,
"volume_molar": 5.725265690475903,
"formula_full": "Mn1 Be2 Fe1",
"formula_reduced": "MnBe2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.803896235344828,
"spacegroup": 123
},
{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.585004992929912,
"density_atomic": 0.1051659870304502,
"volume": 171.15799992242933,
"volume_molar": 5.7263198207385475,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.8711091405555558,
"spacegroup": 8
},
{
"id": "jvasp-104010",
"created_at": "2022-09-04T14:36:55.634023Z",
"updated_at": "2022-09-04T14:36:55.634053Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.0029845394374206,
"density_atomic": 0.105165133502906,
"volume": 399.37190778956625,
"volume_molar": 5.72636629594883,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.037359631666667,
"spacegroup": 2
}
]
}