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&page=4164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4162",
"results": [
{
"id": "jvasp-118124",
"created_at": "2022-09-04T14:38:49.661538Z",
"updated_at": "2022-09-04T14:38:49.661562Z",
"structure_string": "Sr1 P1 Cl2\n1.0\n4.439099 0.000000 0.000000\n0.000000 4.439099 0.000000\n0.000000 0.000000 5.685997\nSr P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.676886 Sr\n0.000000 0.000000 0.770543 P\n0.000000 0.000000 0.395000 Cl\n0.500000 0.500000 0.167571 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"P",
"Cl"
],
"chemical_system": "Cl-P-Sr",
"density": 2.8084162593569943,
"density_atomic": 0.03569962907365582,
"volume": 112.04598209542068,
"volume_molar": 16.868916894276577,
"formula_full": "Sr1 P1 Cl2",
"formula_reduced": "SrPCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.38418498625,
"spacegroup": 99
},
{
"id": "jvasp-90566",
"created_at": "2022-09-04T14:35:45.345894Z",
"updated_at": "2022-09-04T14:35:45.345915Z",
"structure_string": "Mg6 Zn2\n1.0\n3.180135 0.000000 0.000000\n0.000000 9.835064 0.000000\n0.000000 0.000000 5.229903\nMg Zn\n6 2\ndirect\n0.000000 0.000000 0.370030 Mg\n0.000000 0.768061 0.980083 Mg\n0.500001 0.731938 0.480083 Mg\n0.500001 0.500000 0.870030 Mg\n0.500001 0.268062 0.480083 Mg\n0.000000 0.231938 0.980083 Mg\n0.500001 0.000000 0.836469 Zn\n0.000000 0.500000 0.336469 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8084083224286482,
"density_atomic": 0.048907290810171554,
"volume": 163.5747936039056,
"volume_molar": 12.31338039838334,
"formula_full": "Mg6 Zn2",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.151660294117647,
"spacegroup": 44
},
{
"id": "jvasp-119930",
"created_at": "2022-09-04T14:38:53.930154Z",
"updated_at": "2022-09-04T14:38:53.930181Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n3.962649 0.000000 -0.000000\n0.000000 3.962649 0.000000\n-0.000000 0.000000 9.689887\nBa Ca Br\n1 1 1\ndirect\n0.000000 0.000000 0.422571 Ba\n0.000000 0.000000 0.021687 Ca\n0.000000 0.000000 0.740900 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Br"
],
"chemical_system": "Ba-Br-Ca",
"density": 2.8081102255315127,
"density_atomic": 0.01971656846856131,
"volume": 152.1562945795357,
"volume_molar": 30.54355411593297,
"formula_full": "Ba1 Ca1 Br1",
"formula_reduced": "BaCaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0400833333333332,
"spacegroup": 99
},
{
"id": "jvasp-25094",
"created_at": "2022-09-04T14:37:38.379349Z",
"updated_at": "2022-09-04T14:37:38.379371Z",
"structure_string": "Si4\n1.0\n0.000000 0.000000 -3.491651\n0.000000 -3.550399 0.000000\n-5.358982 1.775200 0.000000\nSi\n4\ndirect\n0.000000 0.641897 0.783797 Si\n0.000000 0.404181 0.308357 Si\n0.500000 0.848559 0.197122 Si\n0.500000 0.086284 0.672563 Si\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.8080249322924202,
"density_atomic": 0.060210149029564244,
"volume": 66.43398271669996,
"volume_molar": 10.001869879184358,
"formula_full": "Si4",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.5608300000000002,
"spacegroup": 63
},
{
"id": "jvasp-53552",
"created_at": "2022-09-04T14:38:13.151831Z",
"updated_at": "2022-09-04T14:38:13.151866Z",
"structure_string": "K1 P1 F6\n1.0\n4.474229 -0.000000 2.583198\n1.491410 4.708788 2.583198\n-0.000000 -0.000000 5.166394\nK P F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 P\n0.082338 0.200836 0.082338 F\n0.082338 0.200836 0.634486 F\n0.634487 0.200836 0.082338 F\n0.365513 0.799164 0.917661 F\n0.917662 0.799164 0.365514 F\n0.917662 0.799164 0.917662 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"P",
"F"
],
"chemical_system": "F-K-P",
"density": 2.8080154945470706,
"density_atomic": 0.07349793161548362,
"volume": 108.84660049827389,
"volume_molar": 8.193619368101144,
"formula_full": "K1 P1 F6",
"formula_reduced": "KPF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00199625,
"spacegroup": 166
},
{
"id": "jvasp-59051",
"created_at": "2022-09-04T14:38:36.185681Z",
"updated_at": "2022-09-04T14:38:36.185700Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100262 -0.004705\n6.096153 0.000000 0.000000\n0.000000 -3.855589 -9.447989\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560725 0.987420 As\n0.338250 0.060725 0.512580 As\n0.338250 0.439275 0.012580 As\n0.661749 0.939274 0.487419 As\n0.797196 0.879585 0.987503 Cl\n0.202804 0.379585 0.512497 Cl\n0.202804 0.120414 0.012497 Cl\n0.797196 0.620414 0.487503 Cl\n0.885887 0.428582 0.163456 Cl\n0.114112 0.928582 0.336543 Cl\n0.114112 0.571417 0.836543 Cl\n0.885887 0.071418 0.663456 Cl\n0.655709 0.457263 0.783328 Cl\n0.344291 0.957263 0.716671 Cl\n0.344291 0.542736 0.216671 Cl\n0.655709 0.042736 0.283328 Cl\n0.478199 0.694906 0.005633 O\n0.521801 0.194907 0.494367 O\n0.521801 0.305093 0.994367 O\n0.478198 0.805093 0.505633 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-O",
"density": 2.807985843166095,
"density_atomic": 0.04285808496927533,
"volume": 466.6564083378402,
"volume_molar": 14.051352887832557,
"formula_full": "As4 Cl12 O4",
"formula_reduced": "AsCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9467374904999998,
"spacegroup": 14
},
{
"id": "jvasp-13808",
"created_at": "2022-09-04T14:37:48.816360Z",
"updated_at": "2022-09-04T14:37:48.816381Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100220 -0.004725\n6.096193 0.000000 0.000000\n0.000000 -3.855546 -9.448018\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560723 0.987416 As\n0.338250 0.060723 0.512584 As\n0.338251 0.439276 0.012584 As\n0.661749 0.939276 0.487416 As\n0.797196 0.879585 0.987502 Cl\n0.202803 0.379585 0.512498 Cl\n0.202804 0.120415 0.012498 Cl\n0.797196 0.620415 0.487502 Cl\n0.885888 0.428577 0.163452 Cl\n0.114111 0.928577 0.336547 Cl\n0.114111 0.571422 0.836547 Cl\n0.885888 0.071423 0.663452 Cl\n0.655708 0.457266 0.783326 Cl\n0.344291 0.957266 0.716674 Cl\n0.344292 0.542734 0.216674 Cl\n0.655708 0.042734 0.283326 Cl\n0.478199 0.694906 0.005632 O\n0.521801 0.194907 0.494368 O\n0.521801 0.305093 0.994368 O\n0.478198 0.805093 0.505632 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-O",
"density": 2.8079705366225647,
"density_atomic": 0.04285785134660775,
"volume": 466.65895213113674,
"volume_molar": 14.051429483239037,
"formula_full": "As4 Cl12 O4",
"formula_reduced": "AsCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9467374904999998,
"spacegroup": 14
},
{
"id": "jvasp-77339",
"created_at": "2022-09-04T14:37:52.348075Z",
"updated_at": "2022-09-04T14:37:52.348093Z",
"structure_string": "Na1 Mg2 Cd1\n1.0\n-11.097177 -0.000000 -6.406958\n-7.099813 0.252408 -0.516678\n-6.184649 2.840882 -2.101789\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.725645 -0.000000 0.000000 Mg\n0.274355 -0.000000 0.000000 Mg\n0.500000 -0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 2.807823030375062,
"density_atomic": 0.0367567737260031,
"volume": 108.82347917195607,
"volume_molar": 16.383757739161194,
"formula_full": "Na1 Mg2 Cd1",
"formula_reduced": "NaMg2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0294821818181817,
"spacegroup": 71
},
{
"id": "jvasp-94354",
"created_at": "2022-09-04T14:35:49.376923Z",
"updated_at": "2022-09-04T14:35:49.376938Z",
"structure_string": "Mg5 Sn1\n1.0\n3.278038 -0.000000 0.000000\n-1.639020 2.838866 -0.000000\n-0.000000 -0.000000 15.267986\nMg Sn\n5 1\ndirect\n0.000000 0.000000 0.167316 Mg\n0.666668 0.333333 0.333097 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.666903 Mg\n0.000000 0.000000 0.832684 Mg\n0.666668 0.333333 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 2.8076615049469216,
"density_atomic": 0.04222898277536634,
"volume": 142.0825131383466,
"volume_molar": 14.260681560894543,
"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
"formula_anonymous": "AB5",
"energy_above_hull": 0.062660319047619,
"spacegroup": 187
},
{
"id": "jvasp-23962",
"created_at": "2022-09-04T14:37:45.691510Z",
"updated_at": "2022-09-04T14:37:45.691530Z",
"structure_string": "Mg8 P4 H4 O20\n1.0\n6.176671 0.000000 0.000000\n0.000000 7.420148 0.000000\n0.000000 0.000000 8.289652\nMg P H O\n8 4 4 20\ndirect\n0.250000 0.577587 0.177804 Mg\n0.750000 0.422413 0.822195 Mg\n0.750000 0.077587 0.322195 Mg\n0.250000 0.922413 0.677804 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.250000 0.333772 0.823719 P\n0.750000 0.666228 0.176281 P\n0.750000 0.833772 0.676281 P\n0.250000 0.166228 0.323719 P\n0.250000 0.767883 0.447228 H\n0.750000 0.232117 0.552772 H\n0.250000 0.732118 0.947228 H\n0.750000 0.267883 0.052772 H\n0.545607 0.624484 0.278338 O\n0.750000 0.627075 0.634368 O\n0.250000 0.372925 0.365632 O\n0.954393 0.624484 0.278338 O\n0.454393 0.375516 0.721662 O\n0.045607 0.124484 0.221662 O\n0.545607 0.875516 0.778338 O\n0.045607 0.375516 0.721662 O\n0.954393 0.875516 0.778338 O\n0.750000 0.186514 0.959400 O\n0.250000 0.059916 0.480037 O\n0.750000 0.940084 0.519963 O\n0.750000 0.559916 0.019963 O\n0.250000 0.440084 0.980037 O\n0.250000 0.686514 0.540600 O\n0.750000 0.313486 0.459400 O\n0.750000 0.872926 0.134368 O\n0.250000 0.813486 0.040600 O\n0.454393 0.124484 0.221662 O\n0.250000 0.127075 0.865632 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.8075063060956515,
"density_atomic": 0.0947543517050445,
"volume": 379.9297800280707,
"volume_molar": 6.355529484013551,
"formula_full": "Mg8 P4 H4 O20",
"formula_reduced": "Mg2PHO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8064901222222225,
"spacegroup": 62
},
{
"id": "jvasp-110451",
"created_at": "2022-09-04T14:38:38.874506Z",
"updated_at": "2022-09-04T14:38:38.874535Z",
"structure_string": "Na3 Sn1\n1.0\n4.671806 -0.000000 2.697269\n1.557269 4.404621 2.697269\n0.000000 0.000000 5.394537\nNa Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Sn"
],
"chemical_system": "Na-Sn",
"density": 2.807488391706317,
"density_atomic": 0.03603399965046288,
"volume": 111.00627293114317,
"volume_molar": 16.71238502085805,
"formula_full": "Na3 Sn1",
"formula_reduced": "Na3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.002265,
"spacegroup": 225
},
{
"id": "jvasp-38232",
"created_at": "2022-09-04T14:37:54.621165Z",
"updated_at": "2022-09-04T14:37:54.621195Z",
"structure_string": "Rb3 In1\n1.0\n6.032933 -0.000000 -0.000000\n0.000000 6.032933 0.000000\n-0.000000 0.000000 6.032933\nRb In\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"In"
],
"chemical_system": "In-Rb",
"density": 2.807350222794289,
"density_atomic": 0.018216900437450008,
"volume": 219.5763222033571,
"volume_molar": 33.05798799679325,
"formula_full": "Rb3 In1",
"formula_reduced": "Rb3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0039274999999999,
"spacegroup": 221
}
]
}