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=created_at&page=994",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=992",
"results": [
{
"id": "jvasp-65555",
"created_at": "2022-09-04T14:36:13.679834Z",
"updated_at": "2022-09-04T14:36:13.679846Z",
"structure_string": "Ba2 Zr1 Hg1\n1.0\n-0.000000 4.172765 4.172765\n4.172765 -0.000000 4.172765\n4.172765 4.172765 -0.000000\nBa Zr Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Zr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Hg"
],
"chemical_system": "Ba-Hg-Zr",
"density": 6.473254803333672,
"density_atomic": 0.02752695764950051,
"volume": 145.31209917680758,
"volume_molar": 21.877247884345383,
"formula_full": "Ba2 Zr1 Hg1",
"formula_reduced": "Ba2ZrHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.63198276,
"spacegroup": 225
},
{
"id": "jvasp-92911",
"created_at": "2022-09-04T14:36:13.680864Z",
"updated_at": "2022-09-04T14:36:13.680890Z",
"structure_string": "Mg6 B1 Mo1\n1.0\n6.085196 0.289566 0.000000\n-2.791826 4.835584 0.000000\n0.000000 0.000000 4.701142\nMg B Mo\n6 1 1\ndirect\n0.642489 0.320662 0.250000 Mg\n0.642488 0.821825 0.250000 Mg\n0.336451 0.174002 0.750000 Mg\n0.336451 0.662450 0.750000 Mg\n0.849598 0.174799 0.750000 Mg\n0.882715 0.691358 0.750000 Mg\n0.170339 0.835169 0.250000 B\n0.139469 0.319734 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"B",
"Mo"
],
"chemical_system": "B-Mg-Mo",
"density": 2.9508852116145663,
"density_atomic": 0.056284981426430215,
"volume": 142.13383032659885,
"volume_molar": 10.699374162309187,
"formula_full": "Mg6 B1 Mo1",
"formula_reduced": "Mg6BMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8398465979166666,
"spacegroup": 38
},
{
"id": "jvasp-43094",
"created_at": "2022-09-04T14:36:13.681370Z",
"updated_at": "2022-09-04T14:36:13.681380Z",
"structure_string": "Ti3 Te1 O8\n1.0\n5.404295 0.126340 0.021964\n1.260056 5.156529 0.051967\n0.547055 0.514614 7.329887\nTi Te O\n3 1 8\ndirect\n0.879070 0.011431 0.881017 Ti\n0.614476 0.493779 0.373383 Ti\n0.398147 0.010556 0.622588 Ti\n0.187547 0.395565 0.117085 Te\n0.040299 0.662085 0.935410 O\n0.955403 0.513190 0.318097 O\n0.539202 0.063975 0.828365 O\n0.519688 0.182560 0.420229 O\n0.503792 0.666916 0.580559 O\n0.408280 0.638767 0.192667 O\n0.049684 0.107200 0.671040 O\n0.904405 0.205573 0.059562 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Te",
"O"
],
"chemical_system": "O-Te-Ti",
"density": 3.266881338583079,
"density_atomic": 0.059139699047125106,
"volume": 202.9093856300803,
"volume_molar": 10.182907348245541,
"formula_full": "Ti3 Te1 O8",
"formula_reduced": "Ti3TeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.006891730555556,
"spacegroup": 1
},
{
"id": "jvasp-99569",
"created_at": "2022-09-04T14:36:13.683320Z",
"updated_at": "2022-09-04T14:36:13.683340Z",
"structure_string": "Ni1 Ir3\n1.0\n3.472645 0.005477 -3.127685\n-0.684520 3.404516 -3.127685\n-0.004479 -0.005477 4.673506\nNi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.750001 0.250001 0.500000 Ir\n0.250000 0.750001 0.500000 Ir\n0.500001 0.500001 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 19.129197701818125,
"density_atomic": 0.07252678781840367,
"volume": 55.15203582454813,
"volume_molar": 8.303333073399788,
"formula_full": "Ni1 Ir3",
"formula_reduced": "NiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.723721425,
"spacegroup": 139
},
{
"id": "jvasp-93700",
"created_at": "2022-09-04T14:36:13.683736Z",
"updated_at": "2022-09-04T14:36:13.683757Z",
"structure_string": "Co1 Re1 O4\n1.0\n2.871374 0.000000 0.000000\n0.000000 4.561597 -0.202976\n0.000000 0.011346 4.566097\nCo Re O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.500001 0.500000 Re\n0.000000 0.288368 0.711633 O\n0.499999 0.199918 0.199917 O\n0.000000 0.711633 0.288367 O\n0.499999 0.800084 0.800083 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Re",
"O"
],
"chemical_system": "Co-O-Re",
"density": 8.582254227665238,
"density_atomic": 0.10031166137087681,
"volume": 59.813584163625094,
"volume_molar": 6.0034303865576195,
"formula_full": "Co1 Re1 O4",
"formula_reduced": "CoReO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4256004833333344,
"spacegroup": 65
},
{
"id": "jvasp-91771",
"created_at": "2022-09-04T14:36:13.685187Z",
"updated_at": "2022-09-04T14:36:13.685209Z",
"structure_string": "Ca8\n1.0\n4.339045 -0.000000 -0.000000\n-0.000000 4.339045 -0.000000\n0.000000 -0.000000 17.145121\nCa\n8\ndirect\n0.000029 0.499906 0.687491 Ca\n-0.000029 0.500093 0.187491 Ca\n-0.000093 0.499970 0.437491 Ca\n0.000093 0.500029 0.937491 Ca\n0.500093 -0.000029 0.812509 Ca\n0.499906 0.000029 0.312509 Ca\n0.499970 -0.000093 0.562509 Ca\n0.500029 0.000093 0.062509 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6493630558166035,
"density_atomic": 0.024783413568301438,
"volume": 322.7965339783615,
"volume_molar": 24.29907705572269,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.01490042,
"spacegroup": 229
},
{
"id": "jvasp-86487",
"created_at": "2022-09-04T14:36:13.690552Z",
"updated_at": "2022-09-04T14:36:13.690586Z",
"structure_string": "Nd1 Si2 Au2\n1.0\n4.070932 0.000000 -1.575208\n-0.609511 4.025045 -1.575208\n-0.032433 -0.037715 5.964199\nNd Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.615183 0.615184 0.230365 Si\n0.384818 0.384819 0.769635 Si\n0.250001 0.750001 0.500000 Au\n0.750000 0.250001 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Au"
],
"chemical_system": "Au-Nd-Si",
"density": 10.14907993447972,
"density_atomic": 0.051417165910018874,
"volume": 97.24378836340583,
"volume_molar": 11.7123156312016,
"formula_full": "Nd1 Si2 Au2",
"formula_reduced": "Nd(SiAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7503787679999996,
"spacegroup": 139
},
{
"id": "jvasp-67954",
"created_at": "2022-09-04T14:36:13.690572Z",
"updated_at": "2022-09-04T14:36:13.690597Z",
"structure_string": "Be1 V2 Os1\n1.0\n-1.792875 1.792875 3.944475\n1.792875 -1.792875 3.944475\n1.792875 1.792875 -3.944475\nBe V Os\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750001 0.500001 V\n0.750001 0.250000 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Os"
],
"chemical_system": "Be-Os-V",
"density": 9.859319735823478,
"density_atomic": 0.07886980540537251,
"volume": 50.71649383995469,
"volume_molar": 7.635546618947001,
"formula_full": "Be1 V2 Os1",
"formula_reduced": "BeV2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.101544875,
"spacegroup": 119
},
{
"id": "jvasp-61007",
"created_at": "2022-09-04T14:36:13.691147Z",
"updated_at": "2022-09-04T14:36:13.691182Z",
"structure_string": "Cu6 As2 S8\n1.0\n6.203516 0.000000 0.000000\n0.000000 6.478487 0.000000\n0.000000 0.000000 7.464844\nCu As S\n6 2 8\ndirect\n0.495445 0.839011 0.000000 Cu\n0.995445 0.160989 0.500000 Cu\n0.991340 0.671468 0.750387 Cu\n0.491339 0.328533 0.749612 Cu\n0.491339 0.328533 0.250387 Cu\n0.991340 0.671468 0.249613 Cu\n0.997378 0.169617 0.000000 As\n0.497378 0.830384 0.500000 As\n0.627013 0.171909 0.000000 S\n0.127013 0.828092 0.500000 S\n0.124546 0.838803 0.000000 S\n0.624546 0.161198 0.500000 S\n0.622021 0.661552 0.751273 S\n0.122021 0.338449 0.748727 S\n0.122021 0.338449 0.251273 S\n0.622021 0.661552 0.248727 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"As",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.359575319213715,
"density_atomic": 0.053331984970173635,
"volume": 300.00758473452913,
"volume_molar": 11.29179940211851,
"formula_full": "Cu6 As2 S8",
"formula_reduced": "Cu3AsS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.2251241375,
"spacegroup": 31
},
{
"id": "jvasp-64356",
"created_at": "2022-09-04T14:36:13.691519Z",
"updated_at": "2022-09-04T14:36:13.691553Z",
"structure_string": "Ba4 Mn1 Ni1\n1.0\n-0.000000 4.836123 4.836123\n4.836123 -0.000000 4.836123\n4.836123 4.836123 -0.000000\nBa Mn Ni\n4 1 1\ndirect\n0.124545 0.625151 0.625151 Ba\n0.625151 0.625151 0.625151 Ba\n0.625151 0.124545 0.625151 Ba\n0.625151 0.625151 0.124545 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Ni"
],
"chemical_system": "Ba-Mn-Ni",
"density": 4.866323185161907,
"density_atomic": 0.02652340279570237,
"volume": 226.21531808023477,
"volume_molar": 22.705008125789114,
"formula_full": "Ba4 Mn1 Ni1",
"formula_reduced": "Ba4MnNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0285622535632182,
"spacegroup": 216
},
{
"id": "jvasp-70989",
"created_at": "2022-09-04T14:36:13.692817Z",
"updated_at": "2022-09-04T14:36:13.692845Z",
"structure_string": "Ca1 Be1 Ge1\n1.0\n1.973832 -3.418777 -0.000000\n1.973832 3.418777 0.000000\n0.000000 0.000000 4.309769\nCa Be Ge\n1 1 1\ndirect\n0.333332 0.666667 0.666661 Ca\n0.000000 0.000000 0.166664 Be\n0.666667 0.333332 0.166675 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Ge"
],
"chemical_system": "Be-Ca-Ge",
"density": 3.475220945247987,
"density_atomic": 0.051577027244441305,
"volume": 58.16543062441281,
"volume_molar": 11.67601368620762,
"formula_full": "Ca1 Be1 Ge1",
"formula_reduced": "CaBeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4881608233333332,
"spacegroup": 187
},
{
"id": "jvasp-69629",
"created_at": "2022-09-04T14:36:13.695014Z",
"updated_at": "2022-09-04T14:36:13.695047Z",
"structure_string": "Be2 Nb1 Pb1\n1.0\n-1.840029 1.840029 4.529997\n1.840029 -1.840029 4.529997\n1.840029 1.840029 -4.529997\nBe Nb Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Nb\n0.750000 0.250000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Pb"
],
"chemical_system": "Be-Nb-Pb",
"density": 8.610879211730731,
"density_atomic": 0.06520077380301302,
"volume": 61.34896515315826,
"volume_molar": 9.23630259081635,
"formula_full": "Be2 Nb1 Pb1",
"formula_reduced": "Be2NbPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.433765605,
"spacegroup": 119
}
]
}