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=651",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=649",
"results": [
{
"id": "jvasp-26510",
"created_at": "2022-09-04T14:37:58.965472Z",
"updated_at": "2022-09-04T14:37:58.965497Z",
"structure_string": "K2 Na1 Cr1 F6\n1.0\n5.073916 -0.000000 2.929426\n1.691305 4.783733 2.929426\n-0.000000 -0.000000 5.858853\nK Na Cr F\n2 1 1 6\ndirect\n0.250001 0.250000 0.250000 K\n0.750002 0.750000 0.750000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.232084 0.767916 0.767917 F\n0.232084 0.767916 0.232083 F\n0.767918 0.232083 0.767917 F\n0.232084 0.232083 0.767917 F\n0.767918 0.232083 0.232083 F\n0.767918 0.767916 0.232083 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Cr",
"F"
],
"chemical_system": "Cr-F-K-Na",
"density": 3.1197419780630953,
"density_atomic": 0.07031972982047449,
"volume": 142.2075998518466,
"volume_molar": 8.563941834495754,
"formula_full": "K2 Na1 Cr1 F6",
"formula_reduced": "K2NaCrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102856",
"created_at": "2022-09-04T14:36:32.374895Z",
"updated_at": "2022-09-04T14:36:32.374922Z",
"structure_string": "K2 Li1 Ti1 F6\n1.0\n4.942687 0.000000 2.853662\n1.647562 4.660010 2.853662\n-0.000000 0.000000 5.707324\nK Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.246023 0.246023 0.753976 F\n0.246023 0.753977 0.753976 F\n0.753977 0.753977 0.246023 F\n0.246023 0.753977 0.246023 F\n0.753977 0.246023 0.753976 F\n0.753977 0.246023 0.246023 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ti",
"F"
],
"chemical_system": "F-K-Li-Ti",
"density": 3.1200015323960444,
"density_atomic": 0.07607071780983422,
"volume": 131.45662730564146,
"volume_molar": 7.916503134694324,
"formula_full": "K2 Li1 Ti1 F6",
"formula_reduced": "K2LiTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20882",
"created_at": "2022-09-04T14:38:34.090488Z",
"updated_at": "2022-09-04T14:38:34.090507Z",
"structure_string": "K1 Mg1 F3\n1.0\n4.001555 0.000000 -0.000000\n-0.000000 4.001555 -0.000000\n0.000000 0.000000 4.001555\nK Mg F\n1 1 3\ndirect\n0.499999 0.499999 0.499999 K\n0.000000 0.000000 0.000000 Mg\n0.000000 0.499999 0.000000 F\n0.000000 0.000000 0.499999 F\n0.499999 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Mg",
"F"
],
"chemical_system": "F-K-Mg",
"density": 3.120210089397787,
"density_atomic": 0.07803395751345413,
"volume": 64.07466902006003,
"volume_molar": 7.717333519784256,
"formula_full": "K1 Mg1 F3",
"formula_reduced": "KMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-92985",
"created_at": "2022-09-04T14:35:50.930945Z",
"updated_at": "2022-09-04T14:35:50.930974Z",
"structure_string": "Zr1 V1 F6\n1.0\n5.002905 -0.000000 2.888429\n1.667635 4.716784 2.888429\n0.000000 -0.000000 5.776857\nZr V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 V\n0.750978 0.249022 0.750979 F\n0.249023 0.750977 0.750979 F\n0.249023 0.750977 0.249022 F\n0.249022 0.249022 0.750979 F\n0.750978 0.750977 0.249023 F\n0.750978 0.249022 0.249023 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"V",
"F"
],
"chemical_system": "F-V-Zr",
"density": 3.120280459680502,
"density_atomic": 0.058685407556624374,
"volume": 136.32008932171019,
"volume_molar": 10.261734578888897,
"formula_full": "Zr1 V1 F6",
"formula_reduced": "ZrVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7065800493750001,
"spacegroup": 225
},
{
"id": "jvasp-16170",
"created_at": "2022-09-04T14:36:58.065171Z",
"updated_at": "2022-09-04T14:36:58.065196Z",
"structure_string": "Li1 Ti1 S2\n1.0\n1.720991 -2.980843 0.000000\n1.720991 2.980843 0.000000\n-0.000000 -0.000000 6.169105\nLi Ti S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.238811 S\n0.666667 0.333333 0.761189 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 3.1203252780047364,
"density_atomic": 0.06319607878936735,
"volume": 63.295066349480436,
"volume_molar": 9.529294974252764,
"formula_full": "Li1 Ti1 S2",
"formula_reduced": "LiTiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6827170833333331,
"spacegroup": 164
},
{
"id": "jvasp-43807",
"created_at": "2022-09-04T14:36:10.445722Z",
"updated_at": "2022-09-04T14:36:10.445750Z",
"structure_string": "Na7 Nb1 O6\n1.0\n6.365352 -0.027612 -0.027140\n3.121424 5.548485 -0.026363\n3.124976 1.815821 5.240646\nNa Nb O\n7 1 6\ndirect\n0.704599 0.501249 0.115326 Na\n0.246097 0.482080 0.955679 Na\n0.478162 0.957003 0.249651 Na\n0.952910 0.250511 0.481280 Na\n0.651331 0.655153 0.655208 Na\n0.112207 0.708648 0.499379 Na\n0.496774 0.116474 0.707301 Na\n0.998578 0.002839 0.001571 Nb\n0.885395 0.677351 0.215509 O\n0.069833 0.340123 0.814143 O\n0.335909 0.816072 0.072913 O\n0.811554 0.074791 0.338477 O\n0.212205 0.888984 0.676371 O\n0.673078 0.216151 0.888262 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 3.120397049876379,
"density_atomic": 0.07520215752682184,
"volume": 186.16487159968403,
"volume_molar": 8.007936152433027,
"formula_full": "Na7 Nb1 O6",
"formula_reduced": "Na7NbO6",
"formula_anonymous": "AB6C7",
"energy_above_hull": 1.1905116714285715,
"spacegroup": 146
},
{
"id": "jvasp-110009",
"created_at": "2022-09-04T14:37:26.971621Z",
"updated_at": "2022-09-04T14:37:26.971652Z",
"structure_string": "Na1 Al1 O3\n1.0\n3.735654 -0.000000 0.000000\n0.000000 3.735654 0.000000\n-0.000000 -0.000000 3.735654\nNa Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Al",
"O"
],
"chemical_system": "Al-Na-O",
"density": 3.120614269731854,
"density_atomic": 0.09591136468452481,
"volume": 52.131465509287494,
"volume_molar": 6.278860466440288,
"formula_full": "Na1 Al1 O3",
"formula_reduced": "NaAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.35453846,
"spacegroup": 221
},
{
"id": "jvasp-16665",
"created_at": "2022-09-04T14:38:28.207276Z",
"updated_at": "2022-09-04T14:38:28.207300Z",
"structure_string": "Ca3 Ge1 N1\n1.0\n4.792644 0.000000 -0.000000\n-0.000000 4.792644 0.000000\n0.000000 0.000000 4.792644\nCa Ge N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"N"
],
"chemical_system": "Ca-Ge-N",
"density": 3.12063922263378,
"density_atomic": 0.045419724184933716,
"volume": 110.08433207655985,
"volume_molar": 13.25886686471253,
"formula_full": "Ca3 Ge1 N1",
"formula_reduced": "Ca3GeN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8086180919999999,
"spacegroup": 221
},
{
"id": "jvasp-70240",
"created_at": "2022-09-04T14:35:54.728090Z",
"updated_at": "2022-09-04T14:35:54.728104Z",
"structure_string": "Na1 Be2 Cr1\n1.0\n2.424665 0.000000 -0.000000\n0.000000 2.424665 0.000000\n-0.000000 0.000000 8.418420\nNa Be Cr\n1 2 1\ndirect\n0.500001 0.500001 0.759161 Na\n0.000000 0.000000 0.065147 Be\n0.500001 0.500001 0.235209 Be\n0.000000 0.000000 0.440483 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Na",
"density": 3.12065497512096,
"density_atomic": 0.08082131553629057,
"volume": 49.49189422936219,
"volume_molar": 7.451178838206271,
"formula_full": "Na1 Be2 Cr1",
"formula_reduced": "NaBe2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.07448465,
"spacegroup": 99
},
{
"id": "jvasp-58333",
"created_at": "2022-09-04T14:37:37.904865Z",
"updated_at": "2022-09-04T14:37:37.904889Z",
"structure_string": "Ca3 B3 P3 O15\n1.0\n3.322661 -5.755018 -0.000000\n3.322661 5.755018 0.000000\n-0.000000 -0.000000 6.756096\nCa B P O\n3 3 3 15\ndirect\n-0.000000 0.600738 0.166667 Ca\n0.600738 -0.000000 0.833334 Ca\n0.399262 0.399262 0.500000 Ca\n0.897221 0.897221 0.500000 B\n-0.000000 0.102778 0.166667 B\n0.102778 -0.000000 0.833334 B\n-0.000000 0.579843 0.666667 P\n0.579843 -0.000000 0.333333 P\n0.420157 0.420157 0.000000 P\n0.604404 0.468315 0.153877 O\n0.192598 0.351335 0.126086 O\n0.648665 0.841263 0.459419 O\n0.158737 0.807402 0.792753 O\n0.841263 0.648665 0.540582 O\n0.807402 0.158737 0.207247 O\n0.047636 -0.000000 0.333333 O\n0.136088 0.531685 0.512789 O\n0.395595 0.863912 0.179456 O\n0.468315 0.604404 0.846123 O\n0.531685 0.136088 0.487211 O\n0.952364 0.952364 0.000000 O\n-0.000000 0.047636 0.666667 O\n0.351335 0.192598 0.873915 O\n0.863912 0.395595 0.820545 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"B",
"P",
"O"
],
"chemical_system": "B-Ca-O-P",
"density": 3.120690664336288,
"density_atomic": 0.09288652459798169,
"volume": 258.3797822544594,
"volume_molar": 6.483330909477104,
"formula_full": "Ca3 B3 P3 O15",
"formula_reduced": "CaBPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4240357504166665,
"spacegroup": 152
},
{
"id": "jvasp-23189",
"created_at": "2022-09-04T14:37:51.413022Z",
"updated_at": "2022-09-04T14:37:51.413049Z",
"structure_string": "Na4 Sr2 V8 O24\n1.0\n10.636181 0.000000 0.000000\n0.000000 10.636181 0.000000\n0.000000 -0.000000 4.979301\nNa Sr V O\n4 2 8 24\ndirect\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.216587 0.000000 V\n0.716587 0.000000 0.000000 V\n0.283413 0.000000 0.000000 V\n0.000000 0.716587 0.000000 V\n0.783413 0.500000 0.000000 V\n0.500000 0.783413 0.000000 V\n0.216587 0.500000 0.000000 V\n0.000000 0.283413 0.000000 V\n0.696350 0.569766 0.236306 O\n0.117193 0.382807 0.840668 O\n0.882807 0.617193 0.840668 O\n0.617193 0.117193 0.840668 O\n0.382807 0.882807 0.840668 O\n0.382807 0.117193 0.159332 O\n0.117193 0.617193 0.159332 O\n0.882807 0.382807 0.159332 O\n0.617193 0.882807 0.159332 O\n0.569766 0.303650 0.236306 O\n0.696350 0.430233 0.763694 O\n0.803650 0.930233 0.763694 O\n0.430233 0.303650 0.763694 O\n0.569766 0.696350 0.763694 O\n0.196350 0.069766 0.763694 O\n0.069766 0.803650 0.763694 O\n0.930233 0.196350 0.763694 O\n0.303650 0.430233 0.236306 O\n0.803650 0.069766 0.236306 O\n0.196350 0.930233 0.236306 O\n0.069766 0.196350 0.236306 O\n0.930233 0.803650 0.236306 O\n0.303650 0.569766 0.763694 O\n0.430233 0.696350 0.236306 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Na",
"Sr",
"V",
"O"
],
"chemical_system": "Na-O-Sr-V",
"density": 3.1209659669065313,
"density_atomic": 0.0674596024939472,
"volume": 563.3000876844708,
"volume_molar": 8.927032679358488,
"formula_full": "Na4 Sr2 V8 O24",
"formula_reduced": "Na2SrV4O12",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.8074701636842105,
"spacegroup": 125
},
{
"id": "jvasp-36196",
"created_at": "2022-09-04T14:37:27.521932Z",
"updated_at": "2022-09-04T14:37:27.521941Z",
"structure_string": "B2 C1 N1\n1.0\n2.528612 0.000000 0.000000\n0.000000 2.528612 -0.000000\n0.000000 -0.000000 3.963931\nB C N\n2 1 1\ndirect\n0.500000 0.000000 0.730225 B\n0.000000 0.500000 0.269774 B\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.121223766197734,
"density_atomic": 0.1578227170786847,
"volume": 25.344893777273803,
"volume_molar": 3.8157629468497736,
"formula_full": "B2 C1 N1",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.914112104166668,
"spacegroup": 115
}
]
}