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=196",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=194",
"results": [
{
"id": "jvasp-94920",
"created_at": "2022-09-04T14:36:07.335846Z",
"updated_at": "2022-09-04T14:36:07.335874Z",
"structure_string": "Mn1 In2 Se4\n1.0\n-2.064340 -3.575542 0.000000\n2.064340 -3.575542 0.000000\n-0.000000 -2.383694 13.034639\nMn In Se\n1 2 4\ndirect\n0.771517 0.771517 0.685446 Mn\n0.003304 0.003304 0.990085 In\n0.229634 0.229634 0.311098 In\n0.123071 0.123071 0.630784 Se\n0.866235 0.866235 0.401292 Se\n0.705923 0.705923 0.882228 Se\n0.296311 0.296311 0.111068 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"In",
"Se"
],
"chemical_system": "In-Mn-Se",
"density": 5.181408404711134,
"density_atomic": 0.03637859525971024,
"volume": 192.42084390632283,
"volume_molar": 16.554077245169488,
"formula_full": "Mn1 In2 Se4",
"formula_reduced": "Mn(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3776515211494251,
"spacegroup": 160
},
{
"id": "jvasp-9492",
"created_at": "2022-09-04T14:38:31.045782Z",
"updated_at": "2022-09-04T14:38:31.045819Z",
"structure_string": "Sr4 Cr2 Cu2 S2 O6\n1.0\n3.908997 0.000000 0.000000\n0.000000 3.908997 0.000000\n0.000000 -0.000000 15.523643\nSr Cr Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184591 Sr\n0.000000 0.500000 0.815409 Sr\n0.500000 0.000000 0.411715 Sr\n0.000000 0.500000 0.588285 Sr\n0.000000 0.500000 0.307983 Cr\n0.500000 0.000000 0.692017 Cr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092914 S\n0.500000 0.000000 0.907086 S\n0.500000 0.500000 0.288847 O\n0.000000 0.000000 0.288847 O\n0.000000 0.000000 0.711153 O\n0.500000 0.500000 0.711153 O\n0.000000 0.500000 0.429640 O\n0.500000 0.000000 0.570359 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Cr",
"Cu",
"S",
"O"
],
"chemical_system": "Cr-Cu-O-S-Sr",
"density": 5.192153835772014,
"density_atomic": 0.06745212897647294,
"volume": 237.20526309229976,
"volume_molar": 8.928021770966637,
"formula_full": "Sr4 Cr2 Cu2 S2 O6",
"formula_reduced": "Sr2CrCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.5254463712500002,
"spacegroup": 129
},
{
"id": "jvasp-94919",
"created_at": "2022-09-04T14:36:06.304185Z",
"updated_at": "2022-09-04T14:36:06.304214Z",
"structure_string": "U2 Re2 C3\n1.0\n-0.000000 3.050706 -0.000000\n0.253803 -0.000000 5.513383\n5.550167 -1.525353 -1.726685\nU Re C\n2 2 3\ndirect\n0.601884 0.832677 0.203767 U\n0.398118 0.167323 0.796233 U\n0.847054 0.637160 0.694105 Re\n0.152948 0.362840 0.305895 Re\n-0.000000 0.500000 -0.000000 C\n0.250591 0.759699 0.501178 C\n0.749412 0.240301 0.498822 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"Re",
"C"
],
"chemical_system": "C-Re-U",
"density": 15.511317903054005,
"density_atomic": 0.07392611428144508,
"volume": 94.68913749950671,
"volume_molar": 8.146161635214627,
"formula_full": "U2 Re2 C3",
"formula_reduced": "U2Re2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 7.138895428571429,
"spacegroup": 12
},
{
"id": "jvasp-94918",
"created_at": "2022-09-04T14:36:03.381023Z",
"updated_at": "2022-09-04T14:36:03.381053Z",
"structure_string": "La2 Fe1 Se2 O2\n1.0\n-0.000000 -3.989559 0.000000\n4.833529 -1.994780 -2.972869\n4.852080 -1.994780 4.230579\nLa Fe Se O\n2 1 2 2\ndirect\n0.807731 0.642786 0.741752 La\n0.192269 0.357214 0.258248 La\n0.000000 0.000000 0.000000 Fe\n0.557449 0.202172 0.682930 Se\n0.442551 0.797828 0.317070 Se\n0.191933 0.695376 0.920758 O\n0.808067 0.304624 0.079242 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-La-O-Se",
"density": 6.249003753196388,
"density_atomic": 0.05031309600070724,
"volume": 139.12878666623104,
"volume_molar": 11.969330529600777,
"formula_full": "La2 Fe1 Se2 O2",
"formula_reduced": "La2Fe(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.079327033333333,
"spacegroup": 12
},
{
"id": "jvasp-94917",
"created_at": "2022-09-04T14:36:01.501278Z",
"updated_at": "2022-09-04T14:36:01.501307Z",
"structure_string": "Nd1 In5 Co1\n1.0\n4.616695 -0.000000 0.000000\n-0.000000 4.616695 0.000000\n0.000000 0.000000 7.631780\nNd In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.000000 In\n0.499999 0.000000 0.689929 In\n0.000000 0.499999 0.689929 In\n0.499999 0.000000 0.310071 In\n0.000000 0.499999 0.310071 In\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"In",
"Co"
],
"chemical_system": "Co-In-Nd",
"density": 7.934692628143512,
"density_atomic": 0.04303381310849684,
"volume": 162.66278757012773,
"volume_molar": 13.993974330875536,
"formula_full": "Nd1 In5 Co1",
"formula_reduced": "NdIn5Co",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.3622560357142856,
"spacegroup": 123
},
{
"id": "jvasp-94916",
"created_at": "2022-09-04T14:35:58.383224Z",
"updated_at": "2022-09-04T14:35:58.383241Z",
"structure_string": "Ti4 H3\n1.0\n4.198886 0.000000 0.000000\n0.000000 4.198886 0.000000\n0.000000 -0.000000 4.426258\nTi H\n4 3\ndirect\n0.255869 0.255869 0.262866 Ti\n0.744133 0.744133 0.262866 Ti\n0.744133 0.255869 0.737134 Ti\n0.255869 0.744133 0.737134 Ti\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500001 0.500001 0.000000 H\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.138524644747758,
"density_atomic": 0.08970014559280148,
"volume": 78.03777746110767,
"volume_molar": 6.713635435262082,
"formula_full": "Ti4 H3",
"formula_reduced": "Ti4H3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.714246190476191,
"spacegroup": 111
},
{
"id": "jvasp-94915",
"created_at": "2022-09-04T14:35:54.404679Z",
"updated_at": "2022-09-04T14:35:54.404695Z",
"structure_string": "Re1 Cl6\n1.0\n-2.990441 -5.179594 -0.000000\n2.990440 -5.179594 -0.000000\n-0.000000 -3.453064 5.465105\nRe Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.393584 0.764275 0.757713 Cl\n0.764275 0.084426 0.757713 Cl\n0.084426 0.393585 0.757713 Cl\n0.606415 0.235724 0.242286 Cl\n0.235724 0.915573 0.242286 Cl\n0.915573 0.606415 0.242286 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"Cl"
],
"chemical_system": "Cl-Re",
"density": 3.9127397302570297,
"density_atomic": 0.04134649017909785,
"volume": 169.30094839195695,
"volume_molar": 14.56505917168372,
"formula_full": "Re1 Cl6",
"formula_reduced": "ReCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 1.1452232007142855,
"spacegroup": 148
},
{
"id": "jvasp-94914",
"created_at": "2022-09-04T14:35:52.548533Z",
"updated_at": "2022-09-04T14:35:52.548567Z",
"structure_string": "V1 Fe2 Se4\n1.0\n0.000000 3.513833 0.000000\n-0.039879 0.000000 6.260785\n5.656126 -1.756917 -2.997928\nV Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.747374 0.697133 0.494750 Fe\n0.252624 0.302868 0.505250 Fe\n0.638561 0.977053 0.277124 Se\n0.361437 0.022948 0.722876 Se\n0.885303 0.541111 0.770609 Se\n0.114695 0.458889 0.229392 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-V",
"density": 6.406855056204429,
"density_atomic": 0.056446597328158446,
"volume": 124.01101804781494,
"volume_molar": 10.668740092497742,
"formula_full": "V1 Fe2 Se4",
"formula_reduced": "V(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.680691238095238,
"spacegroup": 12
},
{
"id": "jvasp-94913",
"created_at": "2022-09-04T14:35:46.029307Z",
"updated_at": "2022-09-04T14:35:46.029332Z",
"structure_string": "Cu1 Mo1 S4 N1\n1.0\n0.000000 -0.000000 5.457646\n-3.839233 3.839233 2.728823\n-3.839233 -3.839233 2.728823\nCu Mo S N\n1 1 4 1\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Mo\n0.642874 0.319734 0.917941 S\n0.880551 0.680265 0.082058 S\n0.037392 0.082058 0.319734 S\n0.439183 0.917941 0.680265 S\n0.250000 0.500000 0.500000 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cu",
"Mo",
"S",
"N"
],
"chemical_system": "Cu-Mo-N-S",
"density": 3.114411283630078,
"density_atomic": 0.043508463051776705,
"volume": 160.88823895410272,
"volume_molar": 13.841308880144597,
"formula_full": "Cu1 Mo1 S4 N1",
"formula_reduced": "CuMoS4N",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.0467313714285718,
"spacegroup": 82
},
{
"id": "jvasp-94912",
"created_at": "2022-09-04T14:35:42.714722Z",
"updated_at": "2022-09-04T14:35:42.714752Z",
"structure_string": "Mn2 B4 Mo1\n1.0\n0.000000 0.000000 3.013543\n3.099205 -0.000000 0.000000\n-1.549602 6.424635 -1.506772\nMn B Mo\n2 4 1\ndirect\n0.186341 0.186341 0.372682 Mn\n0.813658 0.813658 0.627317 Mn\n0.352514 0.352514 0.705026 B\n0.647486 0.647485 0.294973 B\n0.927747 0.427747 0.855495 B\n0.072252 0.572252 0.144504 B\n0.500000 -0.000000 -0.000000 Mo\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"B",
"Mo"
],
"chemical_system": "B-Mn-Mo",
"density": 6.892504876613132,
"density_atomic": 0.11665997631016035,
"volume": 60.00344095209921,
"volume_molar": 5.162130964255569,
"formula_full": "Mn2 B4 Mo1",
"formula_reduced": "Mn2B4Mo",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.218444388013137,
"spacegroup": 71
},
{
"id": "jvasp-94911",
"created_at": "2022-09-04T14:36:13.546968Z",
"updated_at": "2022-09-04T14:36:13.546994Z",
"structure_string": "Ca1 Ni5 H1\n1.0\n0.000000 0.000000 3.930856\n4.864746 -0.000022 0.000000\n2.432326 4.459055 0.000000\nCa Ni H\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.681329 0.637333 Ni\n0.000000 0.318673 0.362666 Ni\n0.500001 0.500000 0.000000 Ni\n0.500001 0.500001 0.500000 Ni\n0.500001 0.000001 0.499999 Ni\n0.000000 0.500000 0.000000 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"H"
],
"chemical_system": "Ca-H-Ni",
"density": 6.5151248651428135,
"density_atomic": 0.08209313394256042,
"volume": 85.26900684407805,
"volume_molar": 7.335742309720591,
"formula_full": "Ca1 Ni5 H1",
"formula_reduced": "CaNi5H",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.1702803457142856,
"spacegroup": 65
},
{
"id": "jvasp-94910",
"created_at": "2022-09-04T14:36:09.288728Z",
"updated_at": "2022-09-04T14:36:09.288754Z",
"structure_string": "Mn2 Sn1 S4\n1.0\n0.000000 0.000000 -3.663977\n-3.637354 -5.140186 0.000000\n-3.637354 5.140186 0.000000\nMn Sn S\n2 1 4\ndirect\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.251303 0.748696 S\n0.000000 0.748696 0.251303 S\n0.500000 0.745714 0.745714 S\n0.500000 0.254285 0.254285 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"S"
],
"chemical_system": "Mn-S-Sn",
"density": 4.324968024004704,
"density_atomic": 0.05109176441428664,
"volume": 137.00838247117986,
"volume_molar": 11.786910922019453,
"formula_full": "Mn2 Sn1 S4",
"formula_reduced": "Mn2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.616610883251231,
"spacegroup": 65
}
]
}