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=-updated_at&page=3463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3461",
"results": [
{
"id": "jvasp-66364",
"created_at": "2022-09-04T14:36:20.169430Z",
"updated_at": "2022-09-04T14:36:20.169440Z",
"structure_string": "Ba4 Zn1 Rh1\n1.0\n0.000000 4.830393 4.830393\n4.830393 0.000000 4.830393\n4.830393 4.830393 0.000000\nBa Zn Rh\n4 1 1\ndirect\n0.127107 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127107 0.624297 Ba\n0.624297 0.624297 0.127107 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Rh"
],
"chemical_system": "Ba-Rh-Zn",
"density": 5.286494074595096,
"density_atomic": 0.026617904083374857,
"volume": 225.41218802225342,
"volume_molar": 22.6243987548266,
"formula_full": "Ba4 Zn1 Rh1",
"formula_reduced": "Ba4ZnRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1856762133333332,
"spacegroup": 216
},
{
"id": "jvasp-99944",
"created_at": "2022-09-04T14:36:20.168617Z",
"updated_at": "2022-09-04T14:36:20.168626Z",
"structure_string": "Nb1 V1 C1 N1\n1.0\n2.942186 -0.000846 4.412884\n1.335585 2.621578 4.412884\n-0.001381 -0.000846 5.303772\nNb V C N\n1 1 1 1\ndirect\n0.745956 0.745951 0.745950 Nb\n0.258064 0.258062 0.258062 V\n0.992867 0.992860 0.992860 C\n0.503123 0.503120 0.503120 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Nb",
"V",
"C",
"N"
],
"chemical_system": "C-N-Nb-V",
"density": 6.890315471635109,
"density_atomic": 0.09771143264905462,
"volume": 40.93686779075899,
"volume_molar": 6.163189502736522,
"formula_full": "Nb1 V1 C1 N1",
"formula_reduced": "NbVCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 5.055021712499999,
"spacegroup": 160
},
{
"id": "jvasp-106027",
"created_at": "2022-09-04T14:36:20.168279Z",
"updated_at": "2022-09-04T14:36:20.168301Z",
"structure_string": "Mn1 Al2 Cu1\n1.0\n2.820917 -0.000000 0.000000\n0.000000 2.820917 0.000000\n0.000000 -0.000000 6.644348\nMn Al Cu\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Mn\n0.000000 0.000000 0.746499 Al\n0.000000 0.000000 0.253502 Al\n0.500001 0.500001 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.415917770625136,
"density_atomic": 0.0756531480594604,
"volume": 52.87288239289339,
"volume_molar": 7.96019850392324,
"formula_full": "Mn1 Al2 Cu1",
"formula_reduced": "MnAl2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7405633228448274,
"spacegroup": 123
},
{
"id": "jvasp-70880",
"created_at": "2022-09-04T14:36:20.161193Z",
"updated_at": "2022-09-04T14:36:20.161213Z",
"structure_string": "Li2 Be1 Ge1\n1.0\n3.049617 0.000000 -0.000000\n-0.000000 3.049617 -0.000000\n-0.000000 0.000000 5.984983\nLi Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.994513 Li\n0.500001 0.500001 0.277071 Li\n0.000000 0.000000 0.502710 Be\n0.500001 0.500001 0.725705 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Li",
"density": 2.8500623813003316,
"density_atomic": 0.07186318648084607,
"volume": 55.661322519648266,
"volume_molar": 8.380007977526994,
"formula_full": "Li2 Be1 Ge1",
"formula_reduced": "Li2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0137155125,
"spacegroup": 99
},
{
"id": "jvasp-69270",
"created_at": "2022-09-04T14:36:20.156725Z",
"updated_at": "2022-09-04T14:36:20.156754Z",
"structure_string": "Ba2 Ta1 Br1\n1.0\n0.000000 4.151898 4.151898\n4.151898 -0.000000 4.151898\n4.151898 4.151898 0.000000\nBa Ta Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Br"
],
"chemical_system": "Ba-Br-Ta",
"density": 6.212169811550323,
"density_atomic": 0.02794408983379007,
"volume": 143.14296954353435,
"volume_molar": 21.55067778488892,
"formula_full": "Ba2 Ta1 Br1",
"formula_reduced": "Ba2TaBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6105938112499998,
"spacegroup": 225
},
{
"id": "jvasp-18895",
"created_at": "2022-09-04T14:36:20.156681Z",
"updated_at": "2022-09-04T14:36:20.156711Z",
"structure_string": "Na1 Zn1 As1\n1.0\n4.474706 -0.000000 -0.000000\n2.237354 3.875210 -0.000000\n2.237354 1.291737 3.653583\nNa Zn As\n1 1 1\ndirect\n0.749999 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Zn",
"As"
],
"chemical_system": "As-Na-Zn",
"density": 4.280659900362708,
"density_atomic": 0.04735245809489585,
"volume": 63.35468359399429,
"volume_molar": 12.717694080276544,
"formula_full": "Na1 Zn1 As1",
"formula_reduced": "NaZnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0343533333333333,
"spacegroup": 216
},
{
"id": "jvasp-65283",
"created_at": "2022-09-04T14:36:20.153915Z",
"updated_at": "2022-09-04T14:36:20.153938Z",
"structure_string": "Zr1 Be1 Ir4\n1.0\n0.000000 3.659005 3.659005\n3.659005 -0.000000 3.659005\n3.659005 3.659005 -0.000000\nZr Be Ir\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n0.123033 0.625656 0.625656 Ir\n0.625656 0.625656 0.625656 Ir\n0.625656 0.123033 0.625656 Ir\n0.625656 0.625656 0.123033 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Zr",
"density": 14.72997238496443,
"density_atomic": 0.06123958597439375,
"volume": 97.97584200697885,
"volume_molar": 9.833738527425792,
"formula_full": "Zr1 Be1 Ir4",
"formula_reduced": "ZrBeIr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.530659166666666,
"spacegroup": 216
},
{
"id": "jvasp-68283",
"created_at": "2022-09-04T14:36:20.147574Z",
"updated_at": "2022-09-04T14:36:20.147600Z",
"structure_string": "Be1 Hg1 Ru2\n1.0\n-1.964688 1.964688 3.741262\n1.964688 -1.964688 3.741262\n1.964688 1.964688 -3.741262\nBe Hg Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500001 Hg\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Ru"
],
"chemical_system": "Be-Hg-Ru",
"density": 11.836114557611591,
"density_atomic": 0.06924600010212659,
"volume": 57.76506937730195,
"volume_molar": 8.696734470031947,
"formula_full": "Be1 Hg1 Ru2",
"formula_reduced": "BeHgRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.425347925,
"spacegroup": 119
},
{
"id": "jvasp-69364",
"created_at": "2022-09-04T14:36:20.146576Z",
"updated_at": "2022-09-04T14:36:20.146609Z",
"structure_string": "Ba1 Co2 Cl1\n1.0\n4.401996 -0.000000 0.000000\n-0.000000 4.448900 0.000000\n0.000000 0.000000 6.006965\nBa Co Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.826987 Co\n0.000000 0.000000 0.173012 Co\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Cl"
],
"chemical_system": "Ba-Cl-Co",
"density": 4.102576060511516,
"density_atomic": 0.03400185431313231,
"volume": 117.64064286503064,
"volume_molar": 17.711212760752606,
"formula_full": "Ba1 Co2 Cl1",
"formula_reduced": "BaCo2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6829329593750002,
"spacegroup": 123
},
{
"id": "jvasp-97402",
"created_at": "2022-09-04T14:36:20.145179Z",
"updated_at": "2022-09-04T14:36:20.145201Z",
"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.062357 0.000000 0.000000\n0.000000 7.182381 0.000000\n0.000000 0.000000 8.471726\nCu Hg S I\n4 4 4 4\ndirect\n0.293368 0.077102 0.357037 Cu\n0.793368 0.922898 0.642963 Cu\n0.793368 0.422898 0.857037 Cu\n0.293368 0.577102 0.142963 Cu\n0.189346 0.032831 0.946766 Hg\n0.689346 0.967169 0.053235 Hg\n0.689346 0.467169 0.446766 Hg\n0.189346 0.532831 0.553235 Hg\n0.875399 0.117521 0.841696 S\n0.375398 0.882479 0.158305 S\n0.375398 0.382479 0.341696 S\n0.875399 0.617521 0.658305 S\n0.408358 0.915633 0.624247 I\n0.908358 0.084367 0.375754 I\n0.908358 0.584367 0.124246 I\n0.408358 0.415633 0.875754 I\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"I"
],
"chemical_system": "Cu-Hg-I-S",
"density": 6.539849007112141,
"density_atomic": 0.03723316674075217,
"volume": 429.7243936140355,
"volume_molar": 16.174129914683544,
"formula_full": "Cu4 Hg4 S4 I4",
"formula_reduced": "CuHgSI",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 33
},
{
"id": "jvasp-71643",
"created_at": "2022-09-04T14:36:20.144431Z",
"updated_at": "2022-09-04T14:36:20.144453Z",
"structure_string": "Ta1 Be1 P2\n1.0\n-1.764299 1.764299 4.501295\n1.764299 -1.764299 4.501295\n1.764299 1.764299 -4.501295\nTa Be P\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ta\n0.750001 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 P\n0.250000 0.750001 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"P"
],
"chemical_system": "Be-P-Ta",
"density": 7.463602478466471,
"density_atomic": 0.07137040282310932,
"volume": 56.045641355198065,
"volume_molar": 8.437868530636997,
"formula_full": "Ta1 Be1 P2",
"formula_reduced": "TaBeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6342090749999993,
"spacegroup": 119
},
{
"id": "jvasp-106186",
"created_at": "2022-09-04T14:36:20.140897Z",
"updated_at": "2022-09-04T14:36:20.140919Z",
"structure_string": "Li1 Fe3 O6\n1.0\n4.775162 0.028352 0.722971\n-2.575852 4.020940 0.722971\n0.023718 0.043668 5.118594\nLi Fe O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Fe\n0.170549 0.829452 0.499999 Fe\n0.829452 0.170548 0.499999 Fe\n0.425675 0.098064 0.709639 O\n0.098064 0.425675 0.709639 O\n0.772545 0.772545 0.703872 O\n0.574326 0.901936 0.290359 O\n0.227456 0.227455 0.296127 O\n0.901937 0.574325 0.290359 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.566484537982761,
"density_atomic": 0.10167400694340412,
"volume": 98.35355466580958,
"volume_molar": 5.922989504438601,
"formula_full": "Li1 Fe3 O6",
"formula_reduced": "Li(FeO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.89497675,
"spacegroup": 12
}
]
}