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=id&page=43",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=41",
"results": [
{
"id": "jvasp-100585",
"created_at": "2022-09-04T14:37:07.555490Z",
"updated_at": "2022-09-04T14:37:07.555513Z",
"structure_string": "Na2 Y1 Cu1 Cl6\n1.0\n6.234688 0.000000 3.599598\n2.078229 5.878120 3.599598\n0.000000 0.000000 7.199198\nNa Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cu\n0.744290 0.255710 0.255711 Cl\n0.255711 0.255710 0.744290 Cl\n0.255711 0.744290 0.744290 Cl\n0.255711 0.744290 0.255711 Cl\n0.744290 0.255710 0.744290 Cl\n0.744290 0.744290 0.255711 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Y",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Y",
"density": 2.5876852784594435,
"density_atomic": 0.037902050759279514,
"volume": 263.8379665393623,
"volume_molar": 15.888693723322099,
"formula_full": "Na2 Y1 Cu1 Cl6",
"formula_reduced": "Na2YCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0360508305,
"spacegroup": 225
},
{
"id": "jvasp-100588",
"created_at": "2022-09-04T14:36:43.067656Z",
"updated_at": "2022-09-04T14:36:43.067681Z",
"structure_string": "K1 Na2 Ti1 F6\n1.0\n5.404325 -0.000000 3.120188\n1.801442 5.095246 3.120188\n0.000000 0.000000 6.240377\nK Na Ti F\n1 2 1 6\ndirect\n0.499999 0.500000 0.500001 K\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ti\n0.777252 0.222747 0.222747 F\n0.222746 0.222747 0.777254 F\n0.222746 0.777254 0.777254 F\n0.222746 0.777254 0.222747 F\n0.777252 0.222747 0.777254 F\n0.777252 0.777254 0.222748 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ti",
"F"
],
"chemical_system": "F-K-Na-Ti",
"density": 2.3862435002451075,
"density_atomic": 0.058194582585869126,
"volume": 171.83730092478078,
"volume_molar": 10.34828413987508,
"formula_full": "K1 Na2 Ti1 F6",
"formula_reduced": "KNa2TiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100589",
"created_at": "2022-09-04T14:37:08.569692Z",
"updated_at": "2022-09-04T14:37:08.569701Z",
"structure_string": "Na2 Cu1 Pd1 F6\n1.0\n5.027530 -0.000000 2.902645\n1.675844 4.740000 2.902645\n0.000000 -0.000000 5.805291\nNa Cu Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Pd\n0.743560 0.256440 0.256441 F\n0.256440 0.256440 0.743560 F\n0.256440 0.743560 0.743561 F\n0.256440 0.743560 0.256441 F\n0.743560 0.256440 0.743561 F\n0.743559 0.743560 0.256442 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Pd",
"F"
],
"chemical_system": "Cu-F-Na-Pd",
"density": 3.9602421333170823,
"density_atomic": 0.07228413580828344,
"volume": 138.3429418942302,
"volume_molar": 8.331206692395552,
"formula_full": "Na2 Cu1 Pd1 F6",
"formula_reduced": "Na2CuPdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10059",
"created_at": "2022-09-04T14:37:31.050819Z",
"updated_at": "2022-09-04T14:37:31.050851Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187346 -0.014755 -0.076323\n3.080895 5.365776 -0.076323\n3.027096 1.747695 4.943227\nCa V O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Ca\n0.625000 0.125000 0.625001 Ca\n0.994454 0.994454 0.005547 V\n0.255546 0.255546 0.244455 V\n0.625000 0.625000 0.125001 V\n0.625000 0.625000 0.625001 V\n0.390824 0.390825 0.338059 O\n0.395566 0.877144 0.363645 O\n0.390824 0.390825 0.880294 O\n0.877144 0.395567 0.363645 O\n0.372854 0.854433 0.886358 O\n0.854433 0.372855 0.886358 O\n0.859175 0.859175 0.369708 O\n0.859175 0.859176 0.911943 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.120586945741439,
"density_atomic": 0.08433893135200089,
"volume": 165.99688632013783,
"volume_molar": 7.140404393868488,
"formula_full": "Ca2 V4 O8",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.556558974285714,
"spacegroup": 74
},
{
"id": "jvasp-100590",
"created_at": "2022-09-04T14:37:09.798306Z",
"updated_at": "2022-09-04T14:37:09.798337Z",
"structure_string": "K1 Rb2 As1 F6\n1.0\n5.585814 -0.000000 3.224971\n1.861938 5.266356 3.224971\n-0.000000 0.000000 6.449942\nK Rb As F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.773401 0.226599 0.226599 F\n0.226599 0.226599 0.773401 F\n0.226599 0.773402 0.773401 F\n0.226599 0.773402 0.226598 F\n0.773401 0.226599 0.773401 F\n0.773401 0.773402 0.226598 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"As",
"F"
],
"chemical_system": "As-F-K-Rb",
"density": 3.4914886242704,
"density_atomic": 0.0527044768542185,
"volume": 189.73720254657255,
"volume_molar": 11.426241411440904,
"formula_full": "K1 Rb2 As1 F6",
"formula_reduced": "KRb2AsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100591",
"created_at": "2022-09-04T14:37:11.248881Z",
"updated_at": "2022-09-04T14:37:11.248910Z",
"structure_string": "Ru1 Pt1\n1.0\n2.740044 -0.000000 -0.000000\n0.000000 2.740044 0.000000\n-0.000000 0.000000 3.923556\nRu Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.500001 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"Pt"
],
"chemical_system": "Pt-Ru",
"density": 16.694436748389474,
"density_atomic": 0.06789457379772773,
"volume": 29.45743508101873,
"volume_molar": 8.86984102432284,
"formula_full": "Ru1 Pt1",
"formula_reduced": "RuPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.4128909500000004,
"spacegroup": 123
},
{
"id": "jvasp-100592",
"created_at": "2022-09-04T14:36:44.616329Z",
"updated_at": "2022-09-04T14:36:44.616357Z",
"structure_string": "Rb2 Co2 O4\n1.0\n5.063070 0.000000 2.923165\n1.687690 4.773508 2.923165\n0.000000 0.000000 5.846329\nRb Co O\n2 2 4\ndirect\n0.500000 0.500000 0.499999 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.125000 0.125000 0.125000 O\n0.625000 0.125000 0.124999 O\n0.125000 0.125000 0.625000 O\n0.125000 0.625000 0.124999 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Co",
"O"
],
"chemical_system": "Co-O-Rb",
"density": 4.146124425779533,
"density_atomic": 0.0566180814646573,
"volume": 141.29761717542195,
"volume_molar": 10.636426746037307,
"formula_full": "Rb2 Co2 O4",
"formula_reduced": "RbCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.480879475,
"spacegroup": 227
},
{
"id": "jvasp-100593",
"created_at": "2022-09-04T14:36:32.593931Z",
"updated_at": "2022-09-04T14:36:32.593957Z",
"structure_string": "Ni2 S4\n1.0\n5.324700 0.000000 0.000000\n0.000000 3.441581 1.788702\n0.000000 0.028729 5.415955\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.116519 0.662364 0.824705 S\n0.383481 0.662364 0.324704 S\n0.883481 0.337636 0.175296 S\n0.616519 0.337636 0.675296 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.121269299485299,
"density_atomic": 0.06062085198735079,
"volume": 98.97584417408001,
"volume_molar": 9.934107757602263,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3193008000000002,
"spacegroup": 14
},
{
"id": "jvasp-100594",
"created_at": "2022-09-04T14:36:33.622167Z",
"updated_at": "2022-09-04T14:36:33.622193Z",
"structure_string": "Ac2 Mg1 Tl1\n1.0\n5.031917 0.000000 2.905178\n1.677305 4.744138 2.905178\n0.000000 0.000000 5.810358\nAc Mg Tl\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500001 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Tl"
],
"chemical_system": "Ac-Mg-Tl",
"density": 8.1729319529935,
"density_atomic": 0.028838078320567343,
"volume": 138.70549748618987,
"volume_molar": 20.882600751191536,
"formula_full": "Ac2 Mg1 Tl1",
"formula_reduced": "Ac2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.14857988125,
"spacegroup": 225
},
{
"id": "jvasp-100595",
"created_at": "2022-09-04T14:36:34.455847Z",
"updated_at": "2022-09-04T14:36:34.455872Z",
"structure_string": "Al1 Ga1 Ir2\n1.0\n3.723797 0.000000 2.149935\n1.241266 3.510830 2.149935\n-0.000000 0.000000 4.299870\nAl Ga Ir\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750000 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Ir"
],
"chemical_system": "Al-Ga-Ir",
"density": 14.21242278467113,
"density_atomic": 0.07115556432335933,
"volume": 56.2148587821242,
"volume_molar": 8.463344809736853,
"formula_full": "Al1 Ga1 Ir2",
"formula_reduced": "AlGaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.46074683125,
"spacegroup": 225
},
{
"id": "jvasp-100596",
"created_at": "2022-09-04T14:36:32.853774Z",
"updated_at": "2022-09-04T14:36:32.853799Z",
"structure_string": "Ga3 Te1\n1.0\n4.078428 0.003262 -4.277483\n-0.651294 4.026091 -4.277483\n-0.002774 -0.003262 5.910197\nGa Te\n3 1\ndirect\n0.750001 0.250000 0.500001 Ga\n0.250001 0.750000 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.768406472877874,
"density_atomic": 0.04126051477727516,
"volume": 96.9449853350608,
"volume_molar": 14.595408691596798,
"formula_full": "Ga3 Te1",
"formula_reduced": "Ga3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-100597",
"created_at": "2022-09-04T14:36:32.635731Z",
"updated_at": "2022-09-04T14:36:32.635751Z",
"structure_string": "Dy2 Y6\n1.0\n7.219887 0.000000 -0.000000\n-3.609945 6.252605 0.000000\n-0.000000 -0.000000 5.628422\nDy Y\n2 6\ndirect\n0.333333 0.666668 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.167260 0.334520 0.250000 Y\n0.665480 0.832741 0.250000 Y\n0.167260 0.832741 0.250000 Y\n0.832740 0.665481 0.750000 Y\n0.334520 0.167260 0.750000 Y\n0.832740 0.167260 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Y"
],
"chemical_system": "Dy-Y",
"density": 5.610202256178487,
"density_atomic": 0.03148559763267084,
"volume": 254.08442594397025,
"volume_molar": 19.12665222447981,
"formula_full": "Dy2 Y6",
"formula_reduced": "DyY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5320057125,
"spacegroup": 194
}
]
}