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&page=1550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1548",
"results": [
{
"id": "jvasp-9792",
"created_at": "2022-09-04T14:37:15.507391Z",
"updated_at": "2022-09-04T14:37:15.507416Z",
"structure_string": "Ca2 Ti2 Si2 O10\n1.0\n5.324764 0.003569 -1.330239\n-1.900160 4.974185 -1.330239\n-0.000728 -0.001058 7.082264\nCa Ti Si O\n2 2 2 10\ndirect\n0.170308 0.829690 0.749999 Ca\n0.829690 0.170309 0.249999 Ca\n0.499999 0.499999 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.181120 0.818879 0.249999 Si\n0.818879 0.181120 0.749999 Si\n0.184971 0.609541 0.382913 O\n0.390458 0.815028 0.117086 O\n0.815027 0.390458 0.617086 O\n0.609541 0.184971 0.882913 O\n0.879585 0.750559 0.087968 O\n0.249440 0.120414 0.412030 O\n0.429227 0.570772 0.749999 O\n0.570772 0.429227 0.249999 O\n0.750559 0.879585 0.587968 O\n0.120414 0.249440 0.912030 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Ti",
"density": 3.4699656828899017,
"density_atomic": 0.08528036844607594,
"volume": 187.61645020468035,
"volume_molar": 7.0615792001507245,
"formula_full": "Ca2 Ti2 Si2 O10",
"formula_reduced": "CaTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2968218566666665,
"spacegroup": 15
},
{
"id": "jvasp-93131",
"created_at": "2022-09-04T14:36:13.549444Z",
"updated_at": "2022-09-04T14:36:13.549458Z",
"structure_string": "Ce1 Mg6 Si1\n1.0\n7.161293 0.758143 0.000000\n-2.924076 5.064646 0.000000\n0.000000 0.000000 4.874348\nCe Mg Si\n1 6 1\ndirect\n0.107621 0.303810 0.250000 Ce\n0.622650 0.314858 0.250000 Mg\n0.622650 0.807792 0.250000 Mg\n0.352430 0.177786 0.750000 Mg\n0.352430 0.674646 0.750000 Mg\n0.785182 0.142591 0.750000 Mg\n0.926300 0.713151 0.750000 Mg\n0.230735 0.865367 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Si"
],
"chemical_system": "Ce-Mg-Si",
"density": 2.779712145986065,
"density_atomic": 0.0426449393037187,
"volume": 187.59553022279454,
"volume_molar": 14.121583611856286,
"formula_full": "Ce1 Mg6 Si1",
"formula_reduced": "CeMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0291097999999999,
"spacegroup": 38
},
{
"id": "jvasp-20231",
"created_at": "2022-09-04T14:37:40.755656Z",
"updated_at": "2022-09-04T14:37:40.755678Z",
"structure_string": "Ca2 As6\n1.0\n5.854194 -0.007990 -0.007652\n1.470964 5.716294 0.001433\n1.967110 0.549188 5.601537\nCa As\n2 6\ndirect\n0.661102 0.683802 0.631795 Ca\n0.338897 0.316197 0.368205 Ca\n0.777544 0.013439 0.017724 As\n0.222455 0.986561 0.982276 As\n0.190867 0.853298 0.410398 As\n0.809131 0.146701 0.589602 As\n0.777666 0.587475 0.100427 As\n0.222333 0.412524 0.899574 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 4.688691738844577,
"density_atomic": 0.04264561716056309,
"volume": 187.59254837090435,
"volume_molar": 14.121359147708684,
"formula_full": "Ca2 As6",
"formula_reduced": "CaAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4746714175,
"spacegroup": 2
},
{
"id": "jvasp-20496",
"created_at": "2022-09-04T14:38:17.289144Z",
"updated_at": "2022-09-04T14:38:17.289162Z",
"structure_string": "Ca2 As6\n1.0\n5.854194 -0.007990 -0.007652\n1.470964 5.716294 0.001433\n1.967110 0.549188 5.601537\nCa As\n2 6\ndirect\n0.661102 0.683802 0.631795 Ca\n0.338897 0.316197 0.368205 Ca\n0.777544 0.013439 0.017724 As\n0.222455 0.986561 0.982276 As\n0.190867 0.853298 0.410398 As\n0.809131 0.146701 0.589602 As\n0.777666 0.587475 0.100427 As\n0.222333 0.412524 0.899574 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 4.688691738844577,
"density_atomic": 0.04264561716056309,
"volume": 187.59254837090435,
"volume_molar": 14.121359147708684,
"formula_full": "Ca2 As6",
"formula_reduced": "CaAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4746714175,
"spacegroup": 2
},
{
"id": "jvasp-58384",
"created_at": "2022-09-04T14:37:30.198633Z",
"updated_at": "2022-09-04T14:37:30.198665Z",
"structure_string": "Ti6 O10\n1.0\n3.788459 -0.000000 -0.000000\n-1.894229 4.938359 0.000000\n-0.000000 0.000000 10.026984\nTi O\n6 10\ndirect\n0.301490 0.602980 0.250000 Ti\n0.698510 0.397021 0.750000 Ti\n0.630749 0.261498 0.057939 Ti\n0.369251 0.738502 0.942061 Ti\n0.369251 0.738502 0.557938 Ti\n0.630749 0.261498 0.442061 Ti\n0.266936 0.533870 0.750000 O\n0.733064 0.466130 0.250000 O\n0.551134 0.102267 0.876883 O\n0.448866 0.897734 0.123117 O\n0.448866 0.897734 0.376883 O\n0.551134 0.102267 0.623117 O\n0.182757 0.365515 0.432011 O\n0.817243 0.634485 0.567989 O\n0.817243 0.634485 0.932010 O\n0.182757 0.365515 0.067989 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.9585071706794155,
"density_atomic": 0.08529123655681688,
"volume": 187.59254345364752,
"volume_molar": 7.060679388776762,
"formula_full": "Ti6 O10",
"formula_reduced": "Ti3O5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.0322328125,
"spacegroup": 63
},
{
"id": "jvasp-91839",
"created_at": "2022-09-04T14:36:09.538839Z",
"updated_at": "2022-09-04T14:36:09.538868Z",
"structure_string": "Eu2 Cu2 Sn4\n1.0\n4.135905 -0.000000 -0.956386\n-0.000000 4.716608 0.000000\n0.042750 0.000000 9.605945\nEu Cu Sn\n2 2 4\ndirect\n0.396212 0.750000 0.792423 Eu\n0.603787 0.250000 0.207576 Eu\n0.826743 0.250000 0.653487 Cu\n0.173255 0.750000 0.346512 Cu\n0.756157 0.750000 0.512316 Sn\n0.243842 0.250000 0.487683 Sn\n0.959275 0.250000 0.918553 Sn\n0.040724 0.750000 0.081446 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Sn"
],
"chemical_system": "Cu-Eu-Sn",
"density": 8.019052246400914,
"density_atomic": 0.04264841048842792,
"volume": 187.5802616880808,
"volume_molar": 14.120434246040723,
"formula_full": "Eu2 Cu2 Sn4",
"formula_reduced": "EuCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3789559624999999,
"spacegroup": 63
},
{
"id": "jvasp-65294",
"created_at": "2022-09-04T14:36:22.073727Z",
"updated_at": "2022-09-04T14:36:22.073758Z",
"structure_string": "Be1 Co1 Bi4\n1.0\n-0.000000 4.543394 4.543394\n4.543394 -0.000000 4.543394\n4.543394 4.543394 -0.000000\nBe Co Bi\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Co\n0.123397 0.625534 0.625534 Bi\n0.625534 0.625534 0.625534 Bi\n0.625534 0.123397 0.625534 Bi\n0.625534 0.625534 0.123397 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Bi"
],
"chemical_system": "Be-Bi-Co",
"density": 8.00170287728184,
"density_atomic": 0.031987481978782886,
"volume": 187.57337648458125,
"volume_molar": 18.826554600310374,
"formula_full": "Be1 Co1 Bi4",
"formula_reduced": "BeCoBi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8104607000000004,
"spacegroup": 216
},
{
"id": "jvasp-90111",
"created_at": "2022-09-04T14:36:02.188179Z",
"updated_at": "2022-09-04T14:36:02.188202Z",
"structure_string": "Yb2 Ge6 Pt1\n1.0\n4.182932 0.000000 0.000000\n0.000000 3.973959 -0.000000\n0.000000 -1.986978 11.283348\nYb Ge Pt\n2 6 1\ndirect\n0.000000 0.001343 0.002685 Yb\n0.000000 0.665589 0.331178 Yb\n0.000000 0.284361 0.568724 Ge\n0.000000 0.396063 0.792126 Ge\n0.500000 0.543720 0.087438 Ge\n0.500000 0.110268 0.220536 Ge\n0.500000 0.899884 0.799770 Ge\n0.500000 0.788233 0.576466 Ge\n0.500000 0.218538 0.437075 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Yb",
"density": 8.649744311635525,
"density_atomic": 0.04798442997225359,
"volume": 187.56084015594516,
"volume_molar": 12.5501975609218,
"formula_full": "Yb2 Ge6 Pt1",
"formula_reduced": "Yb2Ge6Pt",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7180476111111112,
"spacegroup": 38
},
{
"id": "jvasp-18655",
"created_at": "2022-09-04T14:37:04.843411Z",
"updated_at": "2022-09-04T14:37:04.843435Z",
"structure_string": "Tb2 Cd6\n1.0\n3.305488 -5.725274 0.000000\n3.305488 5.725274 0.000000\n0.000000 0.000000 4.955355\nTb Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750001 Tb\n0.837313 0.674627 0.250000 Cd\n0.162688 0.837313 0.750001 Cd\n0.674627 0.837313 0.750001 Cd\n0.325373 0.162687 0.250000 Cd\n0.837313 0.162688 0.250000 Cd\n0.162687 0.325373 0.750001 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.785424858913661,
"density_atomic": 0.042653370767671055,
"volume": 187.55844745718355,
"volume_molar": 14.118792141427791,
"formula_full": "Tb2 Cd6",
"formula_reduced": "TbCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-21074",
"created_at": "2022-09-04T14:38:31.203496Z",
"updated_at": "2022-09-04T14:38:31.203522Z",
"structure_string": "Tm1 Mn6 Ge6\n1.0\n2.583817 -4.475303 0.000000\n2.583817 4.475303 -0.000000\n0.000000 0.000000 8.108955\nTm Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.250409 Mn\n0.500001 0.500001 0.749592 Mn\n0.500000 0.000000 0.749592 Mn\n0.000000 0.500000 0.749592 Mn\n0.500001 0.500001 0.250409 Mn\n0.500000 0.000000 0.250409 Mn\n0.000000 0.000000 0.342443 Ge\n0.333334 0.666667 0.500000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.000000 Ge\n0.000000 0.000000 0.657557 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tm",
"density": 8.273780557237542,
"density_atomic": 0.06932091243521829,
"volume": 187.5335961878567,
"volume_molar": 8.687336257479018,
"formula_full": "Tm1 Mn6 Ge6",
"formula_reduced": "Tm(MnGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.9652041075596816,
"spacegroup": 191
},
{
"id": "jvasp-102610",
"created_at": "2022-09-04T14:38:47.200494Z",
"updated_at": "2022-09-04T14:38:47.200522Z",
"structure_string": "Tm3 Mg3 Pd3\n1.0\n7.351790 0.000000 0.000000\n-3.675896 6.366837 0.000000\n-0.000000 -0.000000 4.006417\nTm Mg Pd\n3 3 3\ndirect\n0.588623 -0.000000 -0.000000 Tm\n-0.000000 0.588623 -0.000000 Tm\n0.411377 0.411377 -0.000000 Tm\n0.246844 -0.000000 0.500000 Mg\n-0.000000 0.246844 0.500000 Mg\n0.753156 0.753157 0.500000 Mg\n0.333333 0.666667 0.500000 Pd\n0.666667 0.333334 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Tm",
"density": 7.960218847622614,
"density_atomic": 0.04799207579572265,
"volume": 187.53095903391068,
"volume_molar": 12.548198135111152,
"formula_full": "Tm3 Mg3 Pd3",
"formula_reduced": "TmMgPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3933529999999997,
"spacegroup": 189
},
{
"id": "jvasp-19370",
"created_at": "2022-09-04T14:38:35.803669Z",
"updated_at": "2022-09-04T14:38:35.803681Z",
"structure_string": "Mg4 Cr4 O12\n1.0\n0.000000 5.184519 -0.000239\n4.964462 0.000000 0.000000\n0.000000 -0.000568 -7.285978\nMg Cr O\n4 4 12\ndirect\n0.063662 0.986253 0.750001 Mg\n0.436338 0.486254 0.250000 Mg\n0.563662 0.513746 0.750001 Mg\n0.936338 0.013746 0.250000 Mg\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.189223 0.183996 0.064595 O\n0.310777 0.683996 0.935405 O\n0.689223 0.316004 0.064595 O\n0.810777 0.816004 0.935405 O\n0.189226 0.183999 0.435403 O\n0.947292 0.375209 0.750000 O\n0.447292 0.124791 0.750000 O\n0.052708 0.624791 0.250001 O\n0.689226 0.316001 0.435403 O\n0.552708 0.875209 0.250001 O\n0.310773 0.683999 0.564598 O\n0.810774 0.816001 0.564598 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.402600244665111,
"density_atomic": 0.10665015166033151,
"volume": 187.52903477997577,
"volume_molar": 5.646631220159749,
"formula_full": "Mg4 Cr4 O12",
"formula_reduced": "MgCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8964253899999997,
"spacegroup": 62
}
]
}