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=density&page=338",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=336",
"results": [
{
"id": "jvasp-34313",
"created_at": "2022-09-04T14:37:13.666772Z",
"updated_at": "2022-09-04T14:37:13.666795Z",
"structure_string": "K4 C2 O6\n1.0\n5.538718 0.000000 0.879807\n2.769360 5.044231 0.439904\n0.291908 -0.000000 6.708081\nK C O\n4 2 6\ndirect\n0.666129 0.667742 0.750000 K\n0.333872 0.332258 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.668036 0.663928 0.250000 C\n0.331964 0.336072 0.750000 C\n0.225605 0.207831 0.684398 O\n0.202921 0.594160 0.750000 O\n0.797080 0.405840 0.250000 O\n0.774396 0.792168 0.315602 O\n0.566564 0.207831 0.815602 O\n0.433437 0.792168 0.184398 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.466120655444033,
"density_atomic": 0.0644749697661514,
"volume": 186.11873791525,
"volume_molar": 9.34027698165987,
"formula_full": "K4 C2 O6",
"formula_reduced": "K2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7912827499999997,
"spacegroup": 15
},
{
"id": "jvasp-43377",
"created_at": "2022-09-04T14:38:16.623533Z",
"updated_at": "2022-09-04T14:38:16.623553Z",
"structure_string": "Li4 V2 F12\n1.0\n0.000000 5.517078 0.000000\n-7.924155 2.758539 0.000000\n0.000000 0.000000 5.506084\nLi V F\n4 2 12\ndirect\n0.140512 0.718976 0.749999 Li\n0.844529 0.310942 0.749999 Li\n0.155472 0.689058 0.250000 Li\n0.859489 0.281023 0.250000 Li\n0.622633 0.754735 0.250000 V\n0.377367 0.245265 0.749999 V\n0.114000 0.258173 0.982111 F\n0.114000 0.258173 0.517888 F\n0.627826 0.258173 0.982111 F\n0.260377 0.479246 0.749999 F\n0.739624 0.520754 0.250000 F\n0.372174 0.741826 0.482112 F\n0.886000 0.741826 0.017888 F\n0.627826 0.258173 0.517888 F\n0.372174 0.741826 0.017888 F\n0.487795 0.024411 0.749999 F\n0.886000 0.741826 0.482112 F\n0.512206 0.975589 0.250000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.4670360547151624,
"density_atomic": 0.07477692233235039,
"volume": 240.71597811953197,
"volume_molar": 8.053475018982788,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3079306549999999,
"spacegroup": 63
},
{
"id": "jvasp-12460",
"created_at": "2022-09-04T14:37:27.994562Z",
"updated_at": "2022-09-04T14:37:27.994589Z",
"structure_string": "Cl4 O12\n1.0\n5.013635 0.007302 -0.524800\n-2.125987 4.540570 -0.524800\n-0.016575 -0.026105 9.866721\nCl O\n4 12\ndirect\n0.817630 0.682621 0.139048 Cl\n0.682620 0.817629 0.639048 Cl\n0.181546 0.313808 0.377429 Cl\n0.313808 0.181546 0.877429 Cl\n0.580391 0.452240 0.184733 O\n0.452239 0.580390 0.684733 O\n0.818825 0.972501 0.186325 O\n0.972501 0.818824 0.686325 O\n0.377135 0.970943 0.944919 O\n0.970944 0.377136 0.444919 O\n0.112148 0.281914 0.932055 O\n0.281914 0.112149 0.432056 O\n0.635696 0.766490 0.486827 O\n0.766490 0.635695 0.986827 O\n0.690507 0.099394 0.690261 O\n0.099395 0.690508 0.190261 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.467601052992917,
"density_atomic": 0.07122841078754025,
"volume": 224.6294676954779,
"volume_molar": 8.454689208162756,
"formula_full": "Cl4 O12",
"formula_reduced": "ClO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.885148641875,
"spacegroup": 9
},
{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K",
"density": 2.467699228220312,
"density_atomic": 0.035575876256239695,
"volume": 674.614444550487,
"volume_molar": 16.927596432551034,
"formula_full": "K4 Ga4 Cl16",
"formula_reduced": "KGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-95169",
"created_at": "2022-09-04T14:35:47.016850Z",
"updated_at": "2022-09-04T14:35:47.016876Z",
"structure_string": "Sr4 H16 N8\n1.0\n6.361483 0.000000 -4.406018\n0.000000 7.695736 0.000000\n-0.026043 0.000000 6.597189\nSr H N\n4 16 8\ndirect\n0.250307 0.378511 0.252716 Sr\n0.749692 0.878511 0.247283 Sr\n0.749693 0.621490 0.747283 Sr\n0.250307 0.121490 0.752716 Sr\n0.544844 0.402467 0.901842 H\n0.455156 0.902467 0.598158 H\n0.455156 0.597534 0.098158 H\n0.544844 0.097534 0.401841 H\n0.626721 0.262815 0.789780 H\n0.373279 0.762816 0.710220 H\n0.626721 0.237185 0.289779 H\n0.373279 0.737185 0.210220 H\n0.106487 0.821084 0.874423 H\n0.106487 0.678917 0.374423 H\n0.893513 0.178917 0.125577 H\n0.066090 0.469710 0.682152 H\n0.933910 0.969710 0.817848 H\n0.933910 0.530291 0.317847 H\n0.066090 0.030290 0.182152 H\n0.893513 0.321084 0.625577 H\n0.489452 0.854845 0.763882 N\n0.023562 0.113958 0.269141 N\n0.976437 0.613958 0.230859 N\n0.976438 0.886042 0.730859 N\n0.023563 0.386042 0.769141 N\n0.510548 0.145156 0.236118 N\n0.489451 0.645156 0.263882 N\n0.510549 0.354845 0.736118 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"H",
"N"
],
"chemical_system": "H-N-Sr",
"density": 2.4677343288413547,
"density_atomic": 0.08693198959656843,
"volume": 322.0908681595995,
"volume_molar": 6.927416234170394,
"formula_full": "Sr4 H16 N8",
"formula_reduced": "Sr(H2N)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1791389728571424,
"spacegroup": 14
},
{
"id": "jvasp-67775",
"created_at": "2022-09-04T14:36:06.995176Z",
"updated_at": "2022-09-04T14:36:06.995193Z",
"structure_string": "Be1 P1 Cl1\n1.0\n-1.412694 1.412694 6.358966\n1.412694 -1.412694 6.358966\n1.412694 1.412694 -6.358966\nBe P Cl\n1 1 1\ndirect\n0.990971 0.990971 0.000000 Be\n0.624119 0.624119 0.000000 P\n0.384911 0.384911 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"P",
"Cl"
],
"chemical_system": "Be-Cl-P",
"density": 2.4677547836921785,
"density_atomic": 0.05909878592823363,
"volume": 50.76246411631937,
"volume_molar": 10.18995680776414,
"formula_full": "Be1 P1 Cl1",
"formula_reduced": "BePCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5161052224999996,
"spacegroup": 107
},
{
"id": "jvasp-112406",
"created_at": "2022-09-04T14:38:40.991686Z",
"updated_at": "2022-09-04T14:38:40.991728Z",
"structure_string": "Li1 Fe1 P3 O9\n1.0\n5.973410 -0.018802 -1.913036\n-2.573318 5.401571 -1.868322\n0.005957 -0.014370 6.263715\nLi Fe P O\n1 1 3 9\ndirect\n0.373472 0.373084 0.373113 Li\n0.989832 0.990621 0.990141 Fe\n0.037783 0.912727 0.486518 P\n0.913114 0.486786 0.037079 P\n0.487046 0.038348 0.914300 P\n0.266706 0.866113 0.639604 O\n0.091524 0.386096 0.134394 O\n0.637282 0.899810 0.968480 O\n0.897780 0.964676 0.635289 O\n0.135565 0.090865 0.385738 O\n0.866867 0.638348 0.266360 O\n0.386093 0.135757 0.091782 O\n0.964441 0.636209 0.897017 O\n0.638488 0.266549 0.866179 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.4682008926072925,
"density_atomic": 0.06943364542632723,
"volume": 201.63135485741913,
"volume_molar": 8.673231432720627,
"formula_full": "Li1 Fe1 P3 O9",
"formula_reduced": "LiFe(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.921085964285714,
"spacegroup": 146
},
{
"id": "jvasp-35201",
"created_at": "2022-09-04T14:37:27.966236Z",
"updated_at": "2022-09-04T14:37:27.966261Z",
"structure_string": "Na2 B2 S4 O16\n1.0\n0.000000 5.435404 0.030666\n7.576915 0.000000 0.000000\n0.000000 -2.511702 -7.395115\nNa B S O\n2 2 4 16\ndirect\n0.499999 0.563203 0.250000 Na\n0.499999 0.436797 0.749999 Na\n-0.000000 0.953932 0.750000 B\n-0.000000 0.046067 0.250000 B\n0.864526 0.225381 0.504678 S\n0.135473 0.225381 0.995320 S\n0.135473 0.774619 0.495321 S\n0.864526 0.774619 0.004678 S\n0.345105 0.345434 0.008683 O\n0.654894 0.345434 0.491317 O\n0.822474 0.840439 0.811019 O\n0.177525 0.840439 0.688980 O\n0.177525 0.159560 0.188980 O\n0.822474 0.159560 0.311019 O\n0.818710 0.942295 0.103122 O\n0.125800 0.712102 0.087388 O\n0.181288 0.057704 0.896877 O\n0.818710 0.057704 0.603122 O\n0.345105 0.654565 0.508682 O\n0.874198 0.712102 0.412611 O\n0.874198 0.287898 0.912611 O\n0.125800 0.287898 0.587388 O\n0.181288 0.942295 0.396877 O\n0.654894 0.654565 0.991316 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"B",
"S",
"O"
],
"chemical_system": "B-Na-O-S",
"density": 2.4683632880544986,
"density_atomic": 0.07895417009380597,
"volume": 303.97381128172765,
"volume_molar": 7.627387828717666,
"formula_full": "Na2 B2 S4 O16",
"formula_reduced": "NaB(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.587969965277778,
"spacegroup": 13
},
{
"id": "jvasp-38313",
"created_at": "2022-09-04T14:37:52.244961Z",
"updated_at": "2022-09-04T14:37:52.244985Z",
"structure_string": "Li2 Si6\n1.0\n5.473354 0.001827 0.008046\n-2.735096 4.741014 -0.008632\n0.006723 -0.004445 4.726868\nLi Si\n2 6\ndirect\n0.666468 0.333539 0.250003 Li\n0.333531 0.666462 0.750001 Li\n0.843360 0.156638 0.750128 Si\n0.312842 0.156263 0.749942 Si\n0.843735 0.687161 0.749930 Si\n0.156640 0.843363 0.249875 Si\n0.687156 0.843736 0.250060 Si\n0.156262 0.312838 0.250073 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 2.4687746983495202,
"density_atomic": 0.0652092820234115,
"volume": 122.68192121986303,
"volume_molar": 9.235097478665576,
"formula_full": "Li2 Si6",
"formula_reduced": "LiSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58110895,
"spacegroup": 194
},
{
"id": "jvasp-43673",
"created_at": "2022-09-04T14:38:01.637138Z",
"updated_at": "2022-09-04T14:38:01.637162Z",
"structure_string": "Li4 V2 F12\n1.0\n6.356140 0.000000 0.000000\n-0.000000 6.356140 0.000000\n0.000000 0.000000 5.953852\nLi V F\n4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.750005 V\n0.000000 0.500000 0.249995 V\n0.000000 0.500000 0.952950 F\n0.000000 0.500000 0.547046 F\n0.500289 0.697849 0.750002 F\n0.697849 0.500289 0.249997 F\n0.499711 0.302151 0.750002 F\n0.500000 0.000000 0.047049 F\n0.500000 0.000000 0.452954 F\n0.000289 0.802151 0.249997 F\n0.802151 0.000289 0.750002 F\n0.999711 0.197849 0.249997 F\n0.302151 0.499711 0.249997 F\n0.197849 0.999711 0.750002 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.4688543618763408,
"density_atomic": 0.0748320360033111,
"volume": 240.53869119909487,
"volume_molar": 8.047543647928459,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.304151766111111,
"spacegroup": 139
},
{
"id": "jvasp-25151",
"created_at": "2022-09-04T14:37:47.700612Z",
"updated_at": "2022-09-04T14:37:47.700632Z",
"structure_string": "Si8\n1.0\n5.479388 -0.000000 -1.937257\n-2.739695 4.745290 -1.937257\n-0.000000 -0.000000 5.811770\nSi\n8\ndirect\n0.201975 0.201975 0.201975 Si\n0.000000 0.298025 0.500000 Si\n0.500000 0.000000 0.298025 Si\n0.298025 0.500000 -0.000000 Si\n0.798026 0.798025 0.798024 Si\n0.000001 0.701975 0.500000 Si\n0.500000 0.000000 0.701975 Si\n0.701976 0.500000 -0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4689825050467826,
"density_atomic": 0.05294034353850703,
"volume": 151.11348860403726,
"volume_molar": 11.375333738852104,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.1666299999999996,
"spacegroup": 206
},
{
"id": "jvasp-14847",
"created_at": "2022-09-04T14:35:58.462346Z",
"updated_at": "2022-09-04T14:35:58.462384Z",
"structure_string": "Si8\n1.0\n5.479388 -0.000000 -1.937257\n-2.739695 4.745290 -1.937257\n-0.000000 -0.000000 5.811770\nSi\n8\ndirect\n0.201975 0.201975 0.201975 Si\n0.000000 0.298025 0.500000 Si\n0.500000 0.000000 0.298025 Si\n0.298025 0.500000 -0.000000 Si\n0.798026 0.798025 0.798024 Si\n0.000001 0.701975 0.500000 Si\n0.500000 0.000000 0.701975 Si\n0.701976 0.500000 -0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4689825050467826,
"density_atomic": 0.05294034353850703,
"volume": 151.11348860403726,
"volume_molar": 11.375333738852104,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.1666299999999996,
"spacegroup": 206
}
]
}