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=volume_molar&page=857",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=855",
"results": [
{
"id": "jvasp-105794",
"created_at": "2022-09-04T14:35:49.902297Z",
"updated_at": "2022-09-04T14:35:49.902328Z",
"structure_string": "Li1 Ac1 O3\n1.0\n3.899882 0.000000 0.000000\n0.000000 3.899882 0.000000\n0.000000 0.000000 3.899882\nLi Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ac",
"O"
],
"chemical_system": "Ac-Li-O",
"density": 7.893146447246695,
"density_atomic": 0.08429767652217236,
"volume": 59.31361582290915,
"volume_molar": 7.1438988694024435,
"formula_full": "Li1 Ac1 O3",
"formula_reduced": "LiAcO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3915441,
"spacegroup": 221
},
{
"id": "jvasp-35092",
"created_at": "2022-09-04T14:37:34.305219Z",
"updated_at": "2022-09-04T14:37:34.305237Z",
"structure_string": "Ta2 N3 F1\n1.0\n2.706850 -4.688400 0.000000\n2.706850 4.688400 -0.000000\n-0.000000 -0.000000 2.804269\nTa N F\n2 3 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.500000 Ta\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"N",
"F"
],
"chemical_system": "F-N-Ta",
"density": 9.866495356761476,
"density_atomic": 0.0842971198236533,
"volume": 71.17680903632052,
"volume_molar": 7.143946047739369,
"formula_full": "Ta2 N3 F1",
"formula_reduced": "Ta2N3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.135286405416667,
"spacegroup": 191
},
{
"id": "jvasp-34636",
"created_at": "2022-09-04T14:37:12.475583Z",
"updated_at": "2022-09-04T14:37:12.475608Z",
"structure_string": "Si4 O8\n1.0\n5.129491 -0.017871 0.033309\n-2.537366 4.889320 0.010052\n-0.963379 -1.212749 5.673608\nSi O\n4 8\ndirect\n0.828242 0.503240 0.397060 Si\n-0.004522 0.064971 0.472916 Si\n0.529165 0.270243 0.911000 Si\n0.131000 0.768539 0.082959 Si\n0.402743 0.941653 0.950831 O\n0.028969 0.993924 0.200220 O\n0.775917 0.206522 0.465748 O\n0.550168 0.432440 0.170271 O\n0.160288 0.631761 0.318075 O\n0.310721 0.268324 0.675139 O\n0.841509 0.767960 0.565614 O\n0.879272 0.476522 0.889007 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.8034332730803984,
"density_atomic": 0.08429491458297077,
"volume": 142.35734218804507,
"volume_molar": 7.144132940632448,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4593052000000002,
"spacegroup": 1
},
{
"id": "jvasp-111577",
"created_at": "2022-09-04T14:38:41.118231Z",
"updated_at": "2022-09-04T14:38:41.118259Z",
"structure_string": "Mn4 F8\n1.0\n5.232171 -0.000006 0.000208\n-0.000021 5.232026 0.000133\n0.000363 0.000579 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500058 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000009 0.499977 0.500004 Mn\n0.499987 0.000002 0.500005 Mn\n0.279930 0.720134 0.744503 F\n0.720072 0.279890 0.744537 F\n0.779823 0.779774 0.745242 F\n0.220195 0.220246 0.745155 F\n0.720059 0.720110 0.255532 F\n0.779806 0.220223 0.254820 F\n0.220185 0.779730 0.254786 F\n0.279912 0.279848 0.255420 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 4.3359916605326845,
"density_atomic": 0.08429115147733812,
"volume": 142.36369760859452,
"volume_molar": 7.144451884275264,
"formula_full": "Mn4 F8",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3717426021264367,
"spacegroup": 125
},
{
"id": "jvasp-54473",
"created_at": "2022-09-04T14:37:42.389719Z",
"updated_at": "2022-09-04T14:37:42.389734Z",
"structure_string": "Mn4 F8\n1.0\n5.232172 -0.000014 0.000283\n-0.000013 5.232027 0.000355\n0.000290 0.000359 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500059 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000008 0.499977 0.500005 Mn\n0.499987 0.000003 0.500005 Mn\n0.279931 0.720134 0.744504 F\n0.720072 0.279892 0.744537 F\n0.779824 0.779775 0.745242 F\n0.220195 0.220246 0.745154 F\n0.720059 0.720111 0.255532 F\n0.779806 0.220224 0.254820 F\n0.220185 0.779731 0.254787 F\n0.279912 0.279849 0.255420 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 4.335990012168012,
"density_atomic": 0.08429111943332901,
"volume": 142.3637517294041,
"volume_molar": 7.1444546003013745,
"formula_full": "Mn4 F8",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3717426021264367,
"spacegroup": 125
},
{
"id": "jvasp-54828",
"created_at": "2022-09-04T14:37:31.217496Z",
"updated_at": "2022-09-04T14:37:31.217513Z",
"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n0.000000 5.794493 -0.005911\n6.931587 0.000000 0.000000\n0.000000 -0.001405 -5.907588\nLi Ca Ga N\n4 4 4 8\ndirect\n0.632941 0.105177 0.588925 Li\n0.367058 0.894823 0.411075 Li\n0.632942 0.394823 0.088925 Li\n0.367057 0.605177 0.911075 Li\n0.021610 0.626998 0.243159 Ca\n0.978389 0.373003 0.756841 Ca\n0.021609 0.873003 0.743159 Ca\n0.978390 0.126998 0.256841 Ca\n0.623940 0.859534 0.080070 Ga\n0.623939 0.640466 0.580070 Ga\n0.376059 0.140466 0.919930 Ga\n0.376059 0.359534 0.419930 Ga\n0.259954 0.135627 0.595658 N\n0.740044 0.635627 0.904342 N\n0.722842 0.111994 0.928265 N\n0.740045 0.864374 0.404342 N\n0.722842 0.388006 0.428265 N\n0.277157 0.888006 0.071735 N\n0.277157 0.611994 0.571735 N\n0.259954 0.364374 0.095658 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ga",
"N"
],
"chemical_system": "Ca-Ga-Li-N",
"density": 4.052149281660943,
"density_atomic": 0.08428912967367055,
"volume": 237.27852069929978,
"volume_molar": 7.144623254878784,
"formula_full": "Li4 Ca4 Ga4 N8",
"formula_reduced": "LiCaGaN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.982451849,
"spacegroup": 14
},
{
"id": "jvasp-85874",
"created_at": "2022-09-04T14:35:51.646599Z",
"updated_at": "2022-09-04T14:35:51.646630Z",
"structure_string": "Te2 O6\n1.0\n4.391316 0.003018 2.921497\n1.566893 4.102256 2.921497\n0.004381 0.003018 5.274351\nTe O\n2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.894358 0.605643 0.250000 O\n0.249999 0.894359 0.605642 O\n0.605642 0.250001 0.894358 O\n0.105641 0.394359 0.750000 O\n0.750000 0.105642 0.394358 O\n0.394358 0.750001 0.105642 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 6.144415539692439,
"density_atomic": 0.08428909927492768,
"volume": 94.91144250938329,
"volume_molar": 7.144625831576923,
"formula_full": "Te2 O6",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.810609566666667,
"spacegroup": 167
},
{
"id": "jvasp-86373",
"created_at": "2022-09-04T14:38:13.203035Z",
"updated_at": "2022-09-04T14:38:13.203062Z",
"structure_string": "Te2 O6\n1.0\n4.391316 0.003018 2.921497\n1.566892 4.102256 2.921497\n0.004381 0.003018 5.274351\nTe O\n2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.894358 0.605643 0.250000 O\n0.249999 0.894359 0.605642 O\n0.605642 0.250001 0.894358 O\n0.105641 0.394359 0.750000 O\n0.750000 0.105642 0.394358 O\n0.394358 0.750001 0.105642 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 6.144415539232735,
"density_atomic": 0.08428909926862148,
"volume": 94.91144251648423,
"volume_molar": 7.144625832111458,
"formula_full": "Te2 O6",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.810609566666667,
"spacegroup": 167
},
{
"id": "jvasp-92599",
"created_at": "2022-09-04T14:36:15.185506Z",
"updated_at": "2022-09-04T14:36:15.185515Z",
"structure_string": "Mn1 N1 F3\n1.0\n3.900063 -0.000000 -0.000000\n-0.000000 3.900063 -0.000000\n0.000000 0.000000 3.900063\nMn N F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"N",
"F"
],
"chemical_system": "F-Mn-N",
"density": 3.525313648435264,
"density_atomic": 0.08428594042610099,
"volume": 59.32187473643754,
"volume_molar": 7.144893596198296,
"formula_full": "Mn1 N1 F3",
"formula_reduced": "MnNF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.716910267775862,
"spacegroup": 221
},
{
"id": "jvasp-39201",
"created_at": "2022-09-04T14:37:56.493360Z",
"updated_at": "2022-09-04T14:37:56.493386Z",
"structure_string": "K1 Tc1 O3\n1.0\n3.900074 0.000000 -0.000000\n0.000000 3.900074 0.000000\n-0.000000 0.000000 3.900074\nK Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 Tc\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Tc",
"O"
],
"chemical_system": "K-O-Tc",
"density": 5.181180972869974,
"density_atomic": 0.08428522725291782,
"volume": 59.3223766840696,
"volume_molar": 7.144954052184185,
"formula_full": "K1 Tc1 O3",
"formula_reduced": "KTcO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.130712,
"spacegroup": 221
},
{
"id": "jvasp-38094",
"created_at": "2022-09-04T14:37:55.501504Z",
"updated_at": "2022-09-04T14:37:55.501528Z",
"structure_string": "Y1 Tc1 N3\n1.0\n0.000000 3.503960 1.893529\n4.042179 0.000000 0.000000\n0.000000 3.503857 -2.295069\nY Tc N\n1 1 3\ndirect\n0.831170 0.500000 0.337660 Y\n0.524008 0.000000 0.951985 Tc\n0.412952 0.000000 0.511163 N\n0.075886 0.000000 0.511163 N\n0.510565 0.500000 0.978870 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Tc",
"N"
],
"chemical_system": "N-Tc-Y",
"density": 6.407764344644982,
"density_atomic": 0.08428153045492785,
"volume": 59.32497871136671,
"volume_molar": 7.145267447677075,
"formula_full": "Y1 Tc1 N3",
"formula_reduced": "YTcN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.92969134,
"spacegroup": 38
},
{
"id": "jvasp-91268",
"created_at": "2022-09-04T14:36:12.188320Z",
"updated_at": "2022-09-04T14:36:12.188353Z",
"structure_string": "Na3 Co1 N6 O12\n1.0\n6.339757 -0.005110 2.126837\n1.528244 6.152804 2.126842\n-0.006543 -0.005117 6.686996\nNa Co N O\n3 1 6 12\ndirect\n0.734679 0.734678 0.734679 Na\n0.499999 0.500000 0.500002 Na\n0.265322 0.265321 0.265321 Na\n0.000000 0.000000 0.000000 Co\n0.203931 0.186620 0.828878 N\n0.796069 0.813379 0.171124 N\n0.828877 0.203930 0.186621 N\n0.813379 0.171124 0.796070 N\n0.171124 0.796070 0.813379 N\n0.186621 0.828877 0.203930 N\n0.373747 0.764032 0.762227 O\n0.762227 0.373745 0.764034 O\n0.626254 0.235966 0.237775 O\n0.764033 0.762226 0.373746 O\n0.235967 0.237774 0.626254 O\n0.913593 0.302953 0.253264 O\n0.746737 0.086406 0.697047 O\n0.697046 0.746734 0.086407 O\n0.086408 0.697045 0.746736 O\n0.237773 0.626253 0.235967 O\n0.302954 0.253264 0.913594 O\n0.253265 0.913592 0.302955 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Co",
"N",
"O"
],
"chemical_system": "Co-N-Na-O",
"density": 2.569612731170028,
"density_atomic": 0.0842809132080587,
"volume": 261.0318180308519,
"volume_molar": 7.145319777365892,
"formula_full": "Na3 Co1 N6 O12",
"formula_reduced": "Na3Co(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.4889581545454544,
"spacegroup": 148
}
]
}