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=1183",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1181",
"results": [
{
"id": "jvasp-9742",
"created_at": "2022-09-04T14:37:09.247741Z",
"updated_at": "2022-09-04T14:37:09.247752Z",
"structure_string": "Ti2 P2 O8\n1.0\n4.866199 0.043288 0.000000\n-1.804030 4.519652 -0.000000\n-0.000000 0.000000 5.904595\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.648609 0.351391 0.250000 P\n0.351391 0.648609 0.750001 P\n0.243785 0.756215 0.536508 O\n0.756215 0.243786 0.036508 O\n0.756215 0.243786 0.463492 O\n0.243785 0.756215 0.963493 O\n0.698065 0.765800 0.750001 O\n0.301936 0.234200 0.250000 O\n0.765800 0.698065 0.250000 O\n0.234200 0.301936 0.750001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 3.6399854806650396,
"density_atomic": 0.09207822588932958,
"volume": 130.3239705598043,
"volume_molar": 6.540244125943646,
"formula_full": "Ti2 P2 O8",
"formula_reduced": "TiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.599242972222222,
"spacegroup": 63
},
{
"id": "jvasp-28447",
"created_at": "2022-09-04T14:37:09.249484Z",
"updated_at": "2022-09-04T14:37:09.249507Z",
"structure_string": "Dy2 Te6\n1.0\n4.045407 0.000000 0.000000\n0.000000 0.000000 4.599574\n-2.022703 -13.958052 -0.000000\nDy Te\n2 6\ndirect\n0.948585 0.250000 0.897166 Dy\n0.051417 0.749999 0.102834 Dy\n0.835530 0.250000 0.671056 Te\n0.164472 0.749999 0.328944 Te\n0.687360 0.250000 0.374716 Te\n0.312642 0.749999 0.625284 Te\n0.552753 0.250000 0.105506 Te\n0.447249 0.749999 0.894494 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Te"
],
"chemical_system": "Dy-Te",
"density": 6.972843965279849,
"density_atomic": 0.030802455801168645,
"volume": 259.7195513124145,
"volume_molar": 19.550846201592538,
"formula_full": "Dy2 Te6",
"formula_reduced": "DyTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8872674500000002,
"spacegroup": 63
},
{
"id": "jvasp-10357",
"created_at": "2022-09-04T14:37:09.269525Z",
"updated_at": "2022-09-04T14:37:09.269544Z",
"structure_string": "Ca2 Mo4 O10\n1.0\n3.913150 -0.000000 -0.000000\n-1.956575 5.628314 0.000000\n-0.000000 0.000000 11.481405\nCa Mo O\n2 4 10\ndirect\n0.883266 0.766528 0.750000 Ca\n0.116736 0.233472 0.250000 Ca\n0.190029 0.380058 0.596804 Mo\n0.809973 0.619942 0.403195 Mo\n0.809973 0.619942 0.096805 Mo\n0.190029 0.380058 0.903196 Mo\n0.711473 0.422945 0.250000 O\n0.288528 0.577055 0.750000 O\n0.247630 0.495257 0.071897 O\n0.752373 0.504743 0.928103 O\n0.752373 0.504743 0.571897 O\n0.247630 0.495257 0.428102 O\n0.038079 0.076156 0.619111 O\n0.961922 0.923842 0.380888 O\n0.038079 0.076156 0.880888 O\n0.961922 0.923842 0.119112 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 4.097049330732841,
"density_atomic": 0.06327324845920324,
"volume": 252.87148027995337,
"volume_molar": 9.51767280272152,
"formula_full": "Ca2 Mo4 O10",
"formula_reduced": "CaMo2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.1725399649999995,
"spacegroup": 63
},
{
"id": "jvasp-28440",
"created_at": "2022-09-04T14:37:09.323812Z",
"updated_at": "2022-09-04T14:37:09.323832Z",
"structure_string": "Yb2 Cl6\n1.0\n4.193270 0.000000 0.000000\n-2.096635 4.799579 -0.000000\n0.000000 0.000000 8.734857\nYb Cl\n2 6\ndirect\n0.782065 0.564132 0.250000 Yb\n0.217933 0.435868 0.750000 Yb\n0.365320 0.730641 0.050679 Cl\n0.634679 0.269360 0.949321 Cl\n0.634679 0.269360 0.550679 Cl\n0.365320 0.730641 0.449321 Cl\n0.088979 0.177958 0.250000 Cl\n0.911020 0.822043 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Cl"
],
"chemical_system": "Cl-Yb",
"density": 5.278276898264273,
"density_atomic": 0.04550700104522692,
"volume": 175.797126074057,
"volume_molar": 13.233437980267967,
"formula_full": "Yb2 Cl6",
"formula_reduced": "YbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.209083516875,
"spacegroup": 63
},
{
"id": "jvasp-10358",
"created_at": "2022-09-04T14:37:09.400060Z",
"updated_at": "2022-09-04T14:37:09.400079Z",
"structure_string": "Ta4 O10\n1.0\n10.361446 0.000000 0.000000\n0.000000 5.036093 -1.918935\n0.000000 0.000000 3.837870\nTa O\n4 10\ndirect\n0.176908 0.764957 0.882479 Ta\n0.323092 0.235043 0.617522 Ta\n0.676908 0.235043 0.617522 Ta\n0.823092 0.764957 0.882479 Ta\n0.000000 -0.114436 -0.057218 O\n0.138343 0.406267 0.703134 O\n0.206321 0.857989 0.428995 O\n0.293679 0.142008 0.071005 O\n0.361657 0.593732 0.796867 O\n0.500000 0.114436 0.557218 O\n0.638343 0.593732 0.796867 O\n0.861658 0.406267 0.703134 O\n0.706322 0.142008 0.071005 O\n0.793679 0.857989 0.428995 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.328103760286376,
"density_atomic": 0.06990748310632285,
"volume": 200.26468380655743,
"volume_molar": 8.614443679571297,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.732772271428572,
"spacegroup": 63
},
{
"id": "jvasp-30568",
"created_at": "2022-09-04T14:37:09.547452Z",
"updated_at": "2022-09-04T14:37:09.547462Z",
"structure_string": "V4 O10\n1.0\n11.529654 0.000000 0.000000\n0.000000 4.923437 -1.779659\n0.000000 0.000000 3.559316\nV O\n4 10\ndirect\n0.145278 0.904920 0.952460 V\n0.354722 0.095081 0.547541 V\n0.645278 0.095081 0.547541 V\n0.854722 0.904920 0.952460 V\n0.000000 0.037761 0.018881 O\n0.130031 0.581750 0.790876 O\n0.182364 -0.003802 0.498099 O\n0.317636 0.003800 0.001900 O\n0.369969 0.418250 0.709126 O\n0.500000 0.962239 0.481119 O\n0.630031 0.418250 0.709126 O\n0.869968 0.581750 0.790876 O\n0.682363 0.003800 0.001900 O\n0.817636 -0.003802 0.498099 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.9895982610012615,
"density_atomic": 0.06929100002680766,
"volume": 202.04644173967193,
"volume_molar": 8.691086515810314,
"formula_full": "V4 O10",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.0482022714285715,
"spacegroup": 63
},
{
"id": "jvasp-42172",
"created_at": "2022-09-04T14:37:10.010576Z",
"updated_at": "2022-09-04T14:37:10.010592Z",
"structure_string": "Ba2 Lu4 O8\n1.0\n3.365437 0.000000 0.000000\n-1.682719 5.527759 -0.000000\n0.000000 0.000000 11.303283\nBa Lu O\n2 4 8\ndirect\n0.112873 0.225749 0.250000 Ba\n0.887127 0.774252 0.750000 Ba\n0.365200 0.730399 0.430090 Lu\n0.365200 0.730399 0.069910 Lu\n0.634801 0.269602 0.569910 Lu\n0.634801 0.269602 0.930089 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.430206 0.860412 0.250000 O\n0.259925 0.519849 0.599955 O\n0.259925 0.519849 0.900045 O\n0.569794 0.139589 0.750000 O\n0.740076 0.480152 0.400045 O\n0.740076 0.480152 0.099955 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Lu",
"O"
],
"chemical_system": "Ba-Lu-O",
"density": 8.706413795874232,
"density_atomic": 0.06657832565002297,
"volume": 210.27864343709533,
"volume_molar": 9.045197068571701,
"formula_full": "Ba2 Lu4 O8",
"formula_reduced": "BaLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4542316385714282,
"spacegroup": 63
},
{
"id": "jvasp-9715",
"created_at": "2022-09-04T14:37:09.794271Z",
"updated_at": "2022-09-04T14:37:09.794296Z",
"structure_string": "Ca2 Tl4 O8\n1.0\n3.367656 0.000000 0.000000\n-1.683828 5.599433 -0.000000\n0.000000 0.000000 10.566009\nCa Tl O\n2 4 8\ndirect\n0.891038 0.782075 0.250000 Ca\n0.108963 0.217924 0.750000 Ca\n0.365472 0.730945 0.572199 Tl\n0.634528 0.269054 0.427801 Tl\n0.634528 0.269054 0.072199 Tl\n0.365472 0.730945 0.927801 Tl\n0.536322 0.072641 0.250000 O\n0.463679 0.927358 0.750000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.281437 0.562874 0.118337 O\n0.718564 0.437125 0.881663 O\n0.281437 0.562874 0.381663 O\n0.718564 0.437125 0.618337 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"O"
],
"chemical_system": "Ca-O-Tl",
"density": 8.5483067132238,
"density_atomic": 0.07026600855610893,
"volume": 199.24285280585843,
"volume_molar": 8.570489321577432,
"formula_full": "Ca2 Tl4 O8",
"formula_reduced": "CaTl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.07668566,
"spacegroup": 63
},
{
"id": "jvasp-4825",
"created_at": "2022-09-04T14:37:09.813468Z",
"updated_at": "2022-09-04T14:37:09.813486Z",
"structure_string": "Na2 Mg2 F6\n1.0\n3.011974 0.000000 0.000000\n-1.505987 5.018236 0.000000\n0.000000 0.000000 7.382206\nNa Mg F\n2 2 6\ndirect\n0.255781 0.511563 0.009081 Na\n0.744217 0.488437 0.509081 Na\n0.999996 0.999997 0.759109 Mg\n0.000002 0.000003 0.259108 Mg\n0.372665 0.745333 0.701132 F\n0.627333 0.254668 0.201131 F\n0.372670 0.745342 0.317077 F\n0.627329 0.254659 0.817077 F\n0.928152 0.856307 0.009103 F\n0.071846 0.143694 0.509104 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na",
"density": 3.104082192532814,
"density_atomic": 0.08962136200071118,
"volume": 111.58054036180177,
"volume_molar": 6.7195372013563155,
"formula_full": "Na2 Mg2 F6",
"formula_reduced": "NaMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0055819999999999,
"spacegroup": 63
},
{
"id": "jvasp-30514",
"created_at": "2022-09-04T14:37:10.557225Z",
"updated_at": "2022-09-04T14:37:10.557244Z",
"structure_string": "Rb2 Ag2 O4\n1.0\n1.585116 4.144047 -0.000000\n-0.000000 0.000000 6.008653\n6.657383 -0.171298 -0.000000\nRb Ag O\n2 2 4\ndirect\n0.294735 0.250000 0.410532 Rb\n0.705266 0.750000 0.589468 Rb\n0.003034 0.250000 0.993930 Ag\n0.996966 0.750000 0.006070 Ag\n0.107316 0.994202 0.785367 O\n0.892684 0.005798 0.214633 O\n0.892684 0.494202 0.214633 O\n0.107316 0.505797 0.785367 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"O"
],
"chemical_system": "Ag-O-Rb",
"density": 4.470422551952339,
"density_atomic": 0.04778935854353415,
"volume": 167.4012843824285,
"volume_molar": 12.601426224447179,
"formula_full": "Rb2 Ag2 O4",
"formula_reduced": "RbAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6992335649999999,
"spacegroup": 63
},
{
"id": "jvasp-8715",
"created_at": "2022-09-04T14:37:10.376688Z",
"updated_at": "2022-09-04T14:37:10.376704Z",
"structure_string": "Ca6 Zn2\n1.0\n4.038928 0.000000 0.000000\n-2.019464 6.601962 0.000000\n0.000000 0.000000 9.958762\nCa Zn\n6 2\ndirect\n0.432033 0.864065 0.750000 Ca\n0.567968 0.135935 0.250000 Ca\n0.142413 0.284826 0.938145 Ca\n0.857588 0.715174 0.061855 Ca\n0.857588 0.715174 0.438145 Ca\n0.142413 0.284826 0.561855 Ca\n0.755468 0.510935 0.750000 Zn\n0.244533 0.489065 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.3217378747238984,
"density_atomic": 0.030126279567217473,
"volume": 265.5488867170098,
"volume_molar": 19.98965968088909,
"formula_full": "Ca6 Zn2",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-5032",
"created_at": "2022-09-04T14:37:10.840969Z",
"updated_at": "2022-09-04T14:37:10.840999Z",
"structure_string": "Dy2 Co2 Sn4\n1.0\n4.426462 -0.000000 0.000000\n0.000000 4.180013 -1.131255\n0.000000 0.322689 9.480588\nDy Co Sn\n2 2 4\ndirect\n0.250000 0.884521 0.769043 Dy\n0.750000 0.115479 0.230957 Dy\n0.750000 0.321427 0.642855 Co\n0.250000 0.678573 0.357144 Co\n0.250000 0.251304 0.502608 Sn\n0.750000 0.748696 0.497392 Sn\n0.750000 0.452083 0.904165 Sn\n0.250000 0.547917 0.095835 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Sn"
],
"chemical_system": "Co-Dy-Sn",
"density": 8.607975121830764,
"density_atomic": 0.04518956252241614,
"volume": 177.03203026211253,
"volume_molar": 13.326397565837766,
"formula_full": "Dy2 Co2 Sn4",
"formula_reduced": "DyCoSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2844077,
"spacegroup": 63
}
]
}