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=spacegroup&page=1163",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1161",
"results": [
{
"id": "jvasp-207",
"created_at": "2022-09-04T14:36:30.469645Z",
"updated_at": "2022-09-04T14:36:30.469678Z",
"structure_string": "Ge2 S2\n1.0\n3.904264 0.000000 0.000000\n0.000000 3.638646 -1.390844\n0.000000 0.144243 5.832388\nGe S\n2 2\ndirect\n0.250000 0.136176 0.272353 Ge\n0.749999 0.863824 0.727648 Ge\n0.250000 0.353688 0.707377 S\n0.749999 0.646312 0.292624 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"S"
],
"chemical_system": "Ge-S",
"density": 4.157524906394301,
"density_atomic": 0.04782426857965642,
"volume": 83.63954366259827,
"volume_molar": 12.59222762595832,
"formula_full": "Ge2 S2",
"formula_reduced": "GeS",
"formula_anonymous": "AB",
"energy_above_hull": 0.7439729749999999,
"spacegroup": 63
},
{
"id": "jvasp-24552",
"created_at": "2022-09-04T14:36:30.784832Z",
"updated_at": "2022-09-04T14:36:30.784857Z",
"structure_string": "Ba2 Si4 Ni4\n1.0\n4.226665 0.023860 0.000000\n-0.789297 4.152382 0.000000\n-0.000000 -0.000000 11.423759\nBa Si Ni\n2 4 4\ndirect\n0.794736 0.794737 0.750000 Ba\n0.205263 0.205263 0.250000 Ba\n0.690372 0.690373 0.431806 Si\n0.309626 0.309627 0.931806 Si\n0.690372 0.690373 0.068194 Si\n0.309626 0.309627 0.568194 Si\n0.795472 0.204527 0.000000 Ni\n0.204526 0.795473 0.500000 Ni\n0.795472 0.204527 0.500000 Ni\n0.204526 0.795473 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Ni"
],
"chemical_system": "Ba-Ni-Si",
"density": 5.144091165157234,
"density_atomic": 0.04982302301295329,
"volume": 200.71042251691833,
"volume_molar": 12.087064163959555,
"formula_full": "Ba2 Si4 Ni4",
"formula_reduced": "Ba(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.612103594,
"spacegroup": 63
},
{
"id": "jvasp-13745",
"created_at": "2022-09-04T14:36:31.018295Z",
"updated_at": "2022-09-04T14:36:31.018333Z",
"structure_string": "Ca2 Si2\n1.0\n3.908106 -0.000000 0.000000\n0.000000 4.185835 -1.745501\n-0.000000 -0.032394 5.814029\nCa Si\n2 2\ndirect\n0.250000 0.861161 0.722318 Ca\n0.750001 0.138841 0.277683 Ca\n0.250000 0.570555 0.141108 Si\n0.750001 0.429447 0.858893 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.38569850810394,
"density_atomic": 0.042154561405118154,
"volume": 94.88890090822636,
"volume_molar": 14.285857945775776,
"formula_full": "Ca2 Si2",
"formula_reduced": "CaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.5951745099999997,
"spacegroup": 63
},
{
"id": "jvasp-296",
"created_at": "2022-09-04T14:36:30.883384Z",
"updated_at": "2022-09-04T14:36:30.883403Z",
"structure_string": "Sn2 Se2\n1.0\n4.021258 0.000000 -1.480703\n0.000000 4.304730 0.000000\n0.049473 0.000000 6.335128\nSn Se\n2 2\ndirect\n0.126999 0.750000 0.253998 Sn\n0.873001 0.250000 0.746003 Sn\n0.357007 0.750000 0.714014 Se\n0.642993 0.250000 0.285986 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Se"
],
"chemical_system": "Se-Sn",
"density": 5.969109816597427,
"density_atomic": 0.03637053628762072,
"volume": 109.97913168966558,
"volume_molar": 16.557745292443567,
"formula_full": "Sn2 Se2",
"formula_reduced": "SnSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3662525333333333,
"spacegroup": 63
},
{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tm",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tm",
"density": 8.261506539103479,
"density_atomic": 0.07756281442352672,
"volume": 128.9277609937624,
"volume_molar": 7.764211245760747,
"formula_full": "Tm2 Fe4 Si2 C2",
"formula_reduced": "TmFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.5837347700000004,
"spacegroup": 63
},
{
"id": "jvasp-42462",
"created_at": "2022-09-04T14:36:36.164126Z",
"updated_at": "2022-09-04T14:36:36.164142Z",
"structure_string": "Mn4 O6 F2\n1.0\n4.491717 -0.125984 0.000000\n-0.125984 4.491717 0.000000\n-0.000000 -0.000000 5.824455\nMn O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.532459 0.467543 0.250000 Mn\n0.467543 0.532459 0.750001 Mn\n0.191077 0.808924 0.750001 O\n0.307153 0.307153 0.000000 O\n0.307153 0.307153 0.500000 O\n0.692849 0.692849 0.000000 O\n0.692849 0.692849 0.500000 O\n0.808924 0.191077 0.250000 O\n0.217803 0.782198 0.250000 F\n0.782198 0.217803 0.750001 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.002667141656319,
"density_atomic": 0.10219813528420578,
"volume": 117.41897214297354,
"volume_molar": 5.8926131511625455,
"formula_full": "Mn4 O6 F2",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.56843254420977,
"spacegroup": 63
},
{
"id": "jvasp-11423",
"created_at": "2022-09-04T14:36:33.220564Z",
"updated_at": "2022-09-04T14:36:33.220582Z",
"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n4.189278 -0.000000 -0.000000\n-2.094638 7.196648 0.000000\n0.000000 -0.000000 14.526477\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.109910 0.219821 0.750000 Rb\n0.890090 0.780179 0.250000 Rb\n0.634367 0.268734 0.063354 Sm\n0.365633 0.731266 0.936647 Sm\n0.634367 0.268734 0.436647 Sm\n0.365633 0.731266 0.563354 Sm\n0.838704 0.677408 0.750000 Cu\n0.161296 0.322592 0.250000 Cu\n0.568043 0.136086 0.250000 Se\n0.431957 0.863914 0.750000 Se\n0.264028 0.528056 0.112255 Se\n0.735972 0.471944 0.887746 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264028 0.528056 0.387745 Se\n0.735972 0.471944 0.612255 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Sm",
"density": 5.805456996748785,
"density_atomic": 0.036533412426214086,
"volume": 437.9552562278416,
"volume_molar": 16.483926247412054,
"formula_full": "Rb2 Sm4 Cu2 Se8",
"formula_reduced": "RbSm2CuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.8599839583333333,
"spacegroup": 63
},
{
"id": "jvasp-93412",
"created_at": "2022-09-04T14:36:31.285383Z",
"updated_at": "2022-09-04T14:36:31.285403Z",
"structure_string": "Ag4 S2\n1.0\n4.227599 -0.062612 0.000000\n-1.468231 3.964947 0.000000\n-2.759369 -3.902337 7.388902\nAg S\n4 2\ndirect\n-0.000000 0.500000 0.250000 Ag\n0.500000 -0.000001 0.750000 Ag\n0.634220 0.365780 0.500000 Ag\n0.365781 0.634220 -0.000000 Ag\n0.025173 0.974827 0.500000 S\n0.974828 0.025173 -0.000000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.681286938061517,
"density_atomic": 0.04871116597346961,
"volume": 123.17504375214261,
"volume_molar": 12.362957526576023,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3907275,
"spacegroup": 63
},
{
"id": "jvasp-93709",
"created_at": "2022-09-04T14:36:31.547805Z",
"updated_at": "2022-09-04T14:36:31.547831Z",
"structure_string": "Ba2 Ag2 Bi2\n1.0\n6.521601 -1.129594 0.000000\n-4.239058 5.083077 0.000000\n-0.000000 0.000000 7.062867\nBa Ag Bi\n2 2 2\ndirect\n0.319961 0.680041 0.249999 Ba\n0.680038 0.319962 0.749999 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.400485 0.599517 0.749999 Bi\n0.599516 0.400486 0.249999 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Bi"
],
"chemical_system": "Ag-Ba-Bi",
"density": 7.529990348440828,
"density_atomic": 0.02995316909280658,
"volume": 200.312694173016,
"volume_molar": 20.10518733874557,
"formula_full": "Ba2 Ag2 Bi2",
"formula_reduced": "BaAgBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0623185933333333,
"spacegroup": 63
},
{
"id": "jvasp-99440",
"created_at": "2022-09-04T14:36:31.468323Z",
"updated_at": "2022-09-04T14:36:31.468352Z",
"structure_string": "Y2 Fe4 Si2 C2\n1.0\n5.560066 -0.011203 0.000000\n-4.290892 3.535917 0.000000\n0.000000 -0.000000 6.732878\nY Fe Si C\n2 4 2 2\ndirect\n0.550535 0.449468 0.250000 Y\n0.449468 0.550534 0.750000 Y\n0.835141 0.164861 0.062190 Fe\n0.164861 0.835141 0.937810 Fe\n0.164861 0.835141 0.562190 Fe\n0.835141 0.164861 0.437810 Fe\n0.270537 0.729465 0.250000 Si\n0.729466 0.270536 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Y",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Y",
"density": 6.05370546038656,
"density_atomic": 0.07573217813930076,
"volume": 132.04426765074857,
"volume_molar": 7.951891663439224,
"formula_full": "Y2 Fe4 Si2 C2",
"formula_reduced": "YFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.91709101,
"spacegroup": 63
},
{
"id": "jvasp-16230",
"created_at": "2022-09-04T14:36:31.541627Z",
"updated_at": "2022-09-04T14:36:31.541656Z",
"structure_string": "Nb2 Ni2 B2\n1.0\n3.079449 0.000000 -0.000000\n-0.000000 3.221218 -0.782672\n0.000000 -0.031855 6.888965\nNb Ni B\n2 2 2\ndirect\n0.250000 0.900912 0.801820 Nb\n0.750000 0.099091 0.198180 Nb\n0.750000 0.295092 0.590182 Ni\n0.250000 0.704910 0.409818 Ni\n0.250000 0.533616 0.067231 B\n0.750000 0.466386 0.932769 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"B"
],
"chemical_system": "B-Nb-Ni",
"density": 7.901964048058213,
"density_atomic": 0.08790070424077316,
"volume": 68.25883878660521,
"volume_molar": 6.851072254784737,
"formula_full": "Nb2 Ni2 B2",
"formula_reduced": "NbNiB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.076261461111112,
"spacegroup": 63
},
{
"id": "jvasp-93906",
"created_at": "2022-09-04T14:36:31.767623Z",
"updated_at": "2022-09-04T14:36:31.767649Z",
"structure_string": "Ho2 Sn2 Ge2\n1.0\n-0.000000 -0.000000 -4.066205\n-4.263464 0.000000 -0.000000\n2.131731 8.145976 -0.000000\nHo Sn Ge\n2 2 2\ndirect\n0.749999 0.094401 0.188802 Ho\n0.250000 0.905599 0.811199 Ho\n0.749999 0.744648 0.489297 Sn\n0.250000 0.255352 0.510704 Sn\n0.749999 0.446002 0.892004 Ge\n0.250000 0.553998 0.107996 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Sn",
"Ge"
],
"chemical_system": "Ge-Ho-Sn",
"density": 8.37868629448116,
"density_atomic": 0.04248701831188889,
"volume": 141.21960632669428,
"volume_molar": 14.174072456185659,
"formula_full": "Ho2 Sn2 Ge2",
"formula_reduced": "HoSnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5662244055555555,
"spacegroup": 63
}
]
}