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=-formula_reduced&page=23",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=21",
"results": [
{
"id": "jvasp-43392",
"created_at": "2022-09-04T14:38:27.880331Z",
"updated_at": "2022-09-04T14:38:27.880342Z",
"structure_string": "Zr2 O4\n1.0\n3.273473 -0.001025 -0.000186\n0.001459 4.892895 -0.000233\n0.000495 0.000180 4.893281\nZr O\n2 4\ndirect\n0.498160 0.000037 0.498924 Zr\n0.998190 0.500037 0.998923 Zr\n0.498207 0.694557 0.804508 O\n0.998187 0.805517 0.304512 O\n0.998173 0.194559 0.693339 O\n0.498188 0.305518 0.193335 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.221500297273744,
"density_atomic": 0.07655549893225341,
"volume": 78.37451370161673,
"volume_molar": 7.866372558461411,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4879171666666675,
"spacegroup": 136
},
{
"id": "jvasp-9178",
"created_at": "2022-09-04T14:37:19.352838Z",
"updated_at": "2022-09-04T14:37:19.352856Z",
"structure_string": "Zr4 O8\n1.0\n3.354722 -0.000000 0.000000\n-0.000000 5.611202 0.000000\n0.000000 0.000000 6.537634\nZr O\n4 8\ndirect\n0.250000 0.253038 0.610670 Zr\n0.750000 0.746962 0.389330 Zr\n0.250000 0.753038 0.889329 Zr\n0.750000 0.246962 0.110670 Zr\n0.750000 0.475812 0.839136 O\n0.250000 0.524188 0.160863 O\n0.750000 0.975812 0.660863 O\n0.250000 0.024188 0.339136 O\n0.750000 0.360039 0.425155 O\n0.250000 0.639960 0.574844 O\n0.750000 0.860039 0.074845 O\n0.250000 0.139960 0.925155 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 6.650696326006442,
"density_atomic": 0.09750978578899334,
"volume": 123.06457144688477,
"volume_molar": 6.175934765185141,
"formula_full": "Zr4 O8",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4930471666666674,
"spacegroup": 62
},
{
"id": "jvasp-113",
"created_at": "2022-09-04T14:37:08.274030Z",
"updated_at": "2022-09-04T14:37:08.274050Z",
"structure_string": "Zr4 O8\n1.0\n0.000000 5.173242 -0.035591\n5.260571 0.000000 0.000000\n0.000000 -0.898774 -5.267202\nZr O\n4 8\ndirect\n0.276666 0.041712 0.209657 Zr\n0.276667 0.458287 0.709657 Zr\n0.723334 0.541712 0.290342 Zr\n0.723334 0.958287 0.790342 Zr\n0.928410 0.838130 0.160291 O\n0.928410 0.661869 0.660291 O\n0.448209 0.742076 0.979693 O\n0.551791 0.242076 0.520307 O\n0.448209 0.757924 0.479693 O\n0.551791 0.257924 0.020307 O\n0.071590 0.338131 0.339708 O\n0.071591 0.161869 0.839708 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.703152274668455,
"density_atomic": 0.08361728296785151,
"volume": 143.51100124376993,
"volume_molar": 7.202028750820979,
"formula_full": "Zr4 O8",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4678538333333342,
"spacegroup": 14
},
{
"id": "jvasp-49796",
"created_at": "2022-09-04T14:36:33.950646Z",
"updated_at": "2022-09-04T14:36:33.950668Z",
"structure_string": "Zr2 O4\n1.0\n0.000000 4.037513 0.000000\n2.018429 -2.018758 5.365141\n4.037545 0.000000 -0.000255\nZr O\n2 4\ndirect\n-0.000001 -0.000002 0.000040 Zr\n0.750000 0.500003 0.749959 Zr\n0.798172 0.596347 0.201797 O\n0.201827 0.403655 0.798043 O\n0.951826 0.903653 0.548203 O\n0.548173 0.096346 0.951955 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.678939156622646,
"density_atomic": 0.06860068968988216,
"volume": 87.46267752006192,
"volume_molar": 8.778542587871677,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4872538333333345,
"spacegroup": 141
},
{
"id": "jvasp-350",
"created_at": "2022-09-04T14:36:48.300105Z",
"updated_at": "2022-09-04T14:36:48.300137Z",
"structure_string": "Zr2 O4\n1.0\n3.620551 0.000000 0.000000\n0.000000 3.620551 0.000000\n0.000000 0.000000 5.239272\nZr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.300708 O\n0.000000 0.500000 0.800708 O\n0.500000 0.000000 0.699292 O\n0.500000 0.000000 0.199292 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.958677510580124,
"density_atomic": 0.08736368932834014,
"volume": 68.67841830088149,
"volume_molar": 6.8931850363678056,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4767805000000007,
"spacegroup": 137
},
{
"id": "jvasp-50035",
"created_at": "2022-09-04T14:37:16.059982Z",
"updated_at": "2022-09-04T14:37:16.059999Z",
"structure_string": "Zr4 O8\n1.0\n3.460798 -0.000000 0.000000\n0.000000 5.444067 0.000000\n0.000000 0.000000 7.708239\nZr O\n4 8\ndirect\n0.250000 0.145932 0.830974 Zr\n0.250000 0.354068 0.330974 Zr\n0.750001 0.645932 0.669026 Zr\n0.750001 0.854068 0.169026 Zr\n0.250000 0.107120 0.110333 O\n0.750001 0.127984 0.357745 O\n0.750001 0.372017 0.857746 O\n0.250000 0.392880 0.610333 O\n0.750001 0.607120 0.389667 O\n0.250000 0.627984 0.142255 O\n0.250000 0.872017 0.642255 O\n0.750001 0.892881 0.889668 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.635666401448888,
"density_atomic": 0.08262783273304061,
"volume": 145.22951411264026,
"volume_molar": 7.2882714707727185,
"formula_full": "Zr4 O8",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4776571666666674,
"spacegroup": 62
},
{
"id": "jvasp-43398",
"created_at": "2022-09-04T14:38:28.444116Z",
"updated_at": "2022-09-04T14:38:28.444136Z",
"structure_string": "Zr3 O6\n1.0\n5.449486 -0.024381 -0.005779\n-1.955834 5.086788 -0.014232\n-1.714156 -2.475612 4.915448\nZr O\n3 6\ndirect\n0.810109 0.671292 0.980666 Zr\n0.174325 0.307029 0.980634 Zr\n0.992221 0.489164 0.480651 Zr\n0.168462 0.665392 0.251257 O\n0.026660 0.863680 0.767309 O\n0.617717 0.454857 0.194076 O\n0.957775 0.114638 0.193992 O\n0.366715 0.523474 0.767230 O\n0.815971 0.312926 0.710039 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.521815831217735,
"density_atomic": 0.06629701184147753,
"volume": 135.7527247460241,
"volume_molar": 9.083577966378806,
"formula_full": "Zr3 O6",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.514403833333334,
"spacegroup": 12
},
{
"id": "jvasp-49908",
"created_at": "2022-09-04T14:36:58.328187Z",
"updated_at": "2022-09-04T14:36:58.328220Z",
"structure_string": "Zr4 O8\n1.0\n4.995553 0.000000 0.000000\n0.000000 5.411523 0.000000\n0.000000 0.000000 5.844497\nZr O\n4 8\ndirect\n0.418837 0.457020 0.145089 Zr\n0.918836 0.957020 0.354911 Zr\n0.081163 0.457020 0.645090 Zr\n0.581163 0.957020 0.854911 Zr\n0.225368 0.219947 0.384626 O\n0.725350 0.194101 0.115393 O\n0.225350 0.694101 0.384607 O\n0.725367 0.719946 0.115374 O\n0.274632 0.219947 0.884626 O\n0.774649 0.194101 0.615394 O\n0.274649 0.694101 0.884607 O\n0.774632 0.719946 0.615374 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.180240730195116,
"density_atomic": 0.07595056805729351,
"volume": 157.99750162431658,
"volume_molar": 7.9290266209163605,
"formula_full": "Zr4 O8",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.506523833333334,
"spacegroup": 62
},
{
"id": "jvasp-43490",
"created_at": "2022-09-04T14:37:01.903427Z",
"updated_at": "2022-09-04T14:37:01.903450Z",
"structure_string": "Zr8 O16\n1.0\n5.581059 -0.000000 0.000000\n-0.000000 5.811741 0.000000\n0.000000 0.000000 10.030590\nZr O\n8 16\ndirect\n0.148040 0.906562 0.129827 Zr\n0.648040 0.593438 0.129827 Zr\n0.148040 0.406562 0.370173 Zr\n0.648040 0.093438 0.370173 Zr\n0.351960 0.906562 0.629827 Zr\n0.851960 0.593438 0.629827 Zr\n0.351960 0.406562 0.870173 Zr\n0.851960 0.093438 0.870173 Zr\n0.524423 0.123313 0.768024 O\n0.024423 0.376687 0.768024 O\n0.524423 0.623313 0.731976 O\n0.024423 0.876687 0.731976 O\n0.171213 0.655074 0.514476 O\n0.671214 0.844926 0.514476 O\n0.828787 0.344926 0.485524 O\n0.975577 0.623313 0.231976 O\n0.975577 0.123313 0.268024 O\n0.475577 0.376687 0.268024 O\n0.671214 0.344926 0.985524 O\n0.475577 0.876687 0.231976 O\n0.328787 0.655074 0.014476 O\n0.828787 0.844926 0.014476 O\n0.328787 0.155074 0.485524 O\n0.171213 0.155074 0.985524 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.031306944650313,
"density_atomic": 0.073766961888353,
"volume": 325.34890126455565,
"volume_molar": 8.163736998027067,
"formula_full": "Zr8 O16",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4887705000000009,
"spacegroup": 61
},
{
"id": "jvasp-43485",
"created_at": "2022-09-04T14:37:15.485612Z",
"updated_at": "2022-09-04T14:37:15.485639Z",
"structure_string": "Zr8 O16\n1.0\n3.280119 -0.000000 0.000000\n0.000000 4.951826 0.000000\n0.000000 0.000000 20.190933\nZr O\n8 16\ndirect\n0.750000 0.505331 0.929245 Zr\n0.250000 0.003895 0.810147 Zr\n0.750000 0.503896 0.689853 Zr\n0.250000 0.005331 0.570755 Zr\n0.750000 0.994670 0.429245 Zr\n0.250000 0.496105 0.310147 Zr\n0.750000 0.996105 0.189853 Zr\n0.250000 0.494669 0.070755 Zr\n0.750000 0.702658 0.114822 O\n0.750000 0.302344 0.263585 O\n0.250000 0.802344 0.236415 O\n0.250000 0.202658 0.385178 O\n0.750000 0.691672 0.356571 O\n0.250000 0.809607 0.477389 O\n0.750000 0.190394 0.522611 O\n0.250000 0.697657 0.736415 O\n0.750000 0.797343 0.614822 O\n0.750000 0.197657 0.763585 O\n0.250000 0.191672 0.143429 O\n0.250000 0.297343 0.885178 O\n0.750000 0.808329 0.856571 O\n0.250000 0.690395 0.977389 O\n0.250000 0.308328 0.643428 O\n0.750000 0.309606 0.022611 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.991358849565435,
"density_atomic": 0.07318125927866194,
"volume": 327.9528151956505,
"volume_molar": 8.229075065610308,
"formula_full": "Zr8 O16",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5037371666666677,
"spacegroup": 62
},
{
"id": "jvasp-7809",
"created_at": "2022-09-04T14:36:34.673420Z",
"updated_at": "2022-09-04T14:36:34.673447Z",
"structure_string": "Zr1 O2\n1.0\n3.131303 -0.000000 1.807859\n1.043768 2.952221 1.807859\n-0.000000 0.000000 3.615717\nZr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 6.121696298013193,
"density_atomic": 0.08975380402655928,
"volume": 33.42476714538208,
"volume_molar": 6.709621753990475,
"formula_full": "Zr1 O2",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.485890500000001,
"spacegroup": 225
},
{
"id": "jvasp-15924",
"created_at": "2022-09-04T14:37:52.766906Z",
"updated_at": "2022-09-04T14:37:52.766921Z",
"structure_string": "Zr1 O1\n1.0\n2.813744 0.000000 1.624516\n0.937914 2.652825 1.624516\n0.000000 0.000000 3.249033\nZr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.499999 0.500002 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 7.341610939481356,
"density_atomic": 0.08246747351416084,
"volume": 24.25198584089728,
"volume_molar": 7.30244362217052,
"formula_full": "Zr1 O1",
"formula_reduced": "ZrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.982384,
"spacegroup": 225
}
]
}