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_anonymous&page=3821",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3819",
"results": [
{
"id": "jvasp-10941",
"created_at": "2022-09-04T14:37:12.924490Z",
"updated_at": "2022-09-04T14:37:12.924515Z",
"structure_string": "Ni4 O8\n1.0\n2.852894 0.000417 0.000295\n1.425435 6.733248 -0.001817\n1.425557 0.023932 6.720282\nNi O\n4 8\ndirect\n0.830190 0.816135 0.518413 Ni\n0.645828 0.518426 0.184866 Ni\n0.348245 0.481212 0.817266 Ni\n0.163845 0.183503 0.483722 Ni\n0.541556 0.280007 0.631821 O\n0.824184 0.628097 0.718494 O\n0.169884 0.371541 0.283640 O\n0.452491 0.719628 0.370316 O\n0.198604 0.951692 0.646047 O\n0.151329 0.644904 0.047390 O\n0.795440 0.047947 0.356088 O\n0.842746 0.354735 0.954746 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.666634633316828,
"density_atomic": 0.09296212016150263,
"volume": 129.08483562070722,
"volume_molar": 6.478058750744674,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4740331333333336,
"spacegroup": 87
},
{
"id": "jvasp-18396",
"created_at": "2022-09-04T14:38:14.827256Z",
"updated_at": "2022-09-04T14:38:14.827267Z",
"structure_string": "Zr1 H2\n1.0\n3.001885 -0.009683 -1.495184\n-1.848853 2.774305 -0.363264\n-0.006453 0.009683 3.353632\nZr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.749999 0.250001 H\n0.500000 0.249999 0.750000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"H"
],
"chemical_system": "H-Zr",
"density": 5.553382219818232,
"density_atomic": 0.10760390114203472,
"volume": 27.880030074746713,
"volume_molar": 5.596582183438601,
"formula_full": "Zr1 H2",
"formula_reduced": "ZrH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5997681666666663,
"spacegroup": 139
},
{
"id": "jvasp-29686",
"created_at": "2022-09-04T14:38:04.319386Z",
"updated_at": "2022-09-04T14:38:04.319411Z",
"structure_string": "Cd10 I20\n1.0\n4.287158 0.000000 -0.000000\n-2.143579 3.712788 -0.000000\n-0.000000 -0.000000 68.763801\nCd I\n10 20\ndirect\n0.000000 0.000000 0.725009 Cd\n0.000000 0.000000 0.825003 Cd\n0.000000 0.000000 0.125006 Cd\n0.000000 0.000000 0.524988 Cd\n0.000000 0.000000 0.324985 Cd\n0.000000 0.000000 0.624986 Cd\n0.666667 0.333333 0.024996 Cd\n0.666667 0.333333 0.424993 Cd\n0.000000 0.000000 0.924976 Cd\n0.000000 0.000000 0.225011 Cd\n0.000000 0.000000 0.999796 I\n0.333333 0.666667 0.650201 I\n0.333333 0.666667 0.850217 I\n0.666667 0.333333 0.499784 I\n0.333333 0.666667 0.250225 I\n0.333333 0.666667 0.150220 I\n0.666667 0.333333 0.599777 I\n0.333333 0.666667 0.550202 I\n0.666667 0.333333 0.299784 I\n0.666667 0.333333 0.899776 I\n0.666667 0.333333 0.799796 I\n0.666667 0.333333 0.699800 I\n0.333333 0.666667 0.950200 I\n0.666667 0.333333 0.199803 I\n0.666667 0.333333 0.099800 I\n0.333333 0.666667 0.350209 I\n0.333333 0.666667 0.450216 I\n0.000000 0.000000 0.399795 I\n0.333333 0.666667 0.050219 I\n0.333333 0.666667 0.750223 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555991448790648,
"density_atomic": 0.02740890835507453,
"volume": 1094.5346531630746,
"volume_molar": 21.971472493486054,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00016,
"spacegroup": 156
},
{
"id": "jvasp-278",
"created_at": "2022-09-04T14:38:04.622402Z",
"updated_at": "2022-09-04T14:38:04.622425Z",
"structure_string": "Te2 Pt1\n1.0\n2.040489 -3.534230 0.000000\n2.040489 3.534230 0.000000\n0.000000 -0.000000 5.382274\nTe Pt\n2 1\ndirect\n0.333333 0.666667 0.257125 Te\n0.666667 0.333333 0.742874 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 9.631872992761842,
"density_atomic": 0.03864527384821538,
"volume": 77.62915620116736,
"volume_molar": 15.583123524115226,
"formula_full": "Te2 Pt1",
"formula_reduced": "Te2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1923656444444446,
"spacegroup": 164
},
{
"id": "jvasp-29439",
"created_at": "2022-09-04T14:38:04.710261Z",
"updated_at": "2022-09-04T14:38:04.710288Z",
"structure_string": "V2 S4\n1.0\n3.195036 -0.000219 0.000000\n-1.597673 2.766891 0.000000\n0.000000 -0.000000 12.703099\nV S\n2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333330 0.666671 0.884744 S\n0.333330 0.666671 0.615256 S\n0.666672 0.333329 0.115256 S\n0.666672 0.333329 0.384744 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.4031929066613817,
"density_atomic": 0.053430710621911195,
"volume": 112.29496913221818,
"volume_molar": 11.27093517923455,
"formula_full": "V2 S4",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.099934733333334,
"spacegroup": 194
},
{
"id": "jvasp-14500",
"created_at": "2022-09-04T14:38:04.719396Z",
"updated_at": "2022-09-04T14:38:04.719418Z",
"structure_string": "B4 Mo2\n1.0\n2.960284 0.004957 6.613785\n1.416595 2.599340 6.613785\n0.008331 0.004957 7.246060\nB Mo\n4 2\ndirect\n0.818756 0.818762 0.818763 B\n0.181239 0.181240 0.181240 B\n0.332081 0.332083 0.332083 B\n0.667915 0.667920 0.667920 B\n0.923788 0.923795 0.923796 Mo\n0.076207 0.076208 0.076208 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 7.033246135240573,
"density_atomic": 0.1080839001738192,
"volume": 55.5124305317524,
"volume_molar": 5.57172784319891,
"formula_full": "B4 Mo2",
"formula_reduced": "B2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 4.284257022222223,
"spacegroup": 166
},
{
"id": "jvasp-20660",
"created_at": "2022-09-04T14:38:06.086254Z",
"updated_at": "2022-09-04T14:38:06.086283Z",
"structure_string": "Ca2 Ni4\n1.0\n4.391569 -0.000000 2.535473\n1.463857 4.140410 2.535473\n-0.000000 0.000000 5.070947\nCa Ni\n2 4\ndirect\n0.875001 0.875000 0.874999 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.499999 Ni\n0.500001 0.500000 -0.000001 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 5.6716633925470745,
"density_atomic": 0.06507274382286272,
"volume": 92.20450295338482,
"volume_molar": 9.254474924851985,
"formula_full": "Ca2 Ni4",
"formula_reduced": "CaNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3843950733333334,
"spacegroup": 227
},
{
"id": "jvasp-9458",
"created_at": "2022-09-04T14:38:04.755877Z",
"updated_at": "2022-09-04T14:38:04.755899Z",
"structure_string": "Sb4 O8\n1.0\n6.236335 -0.021858 -0.029306\n-3.096414 5.996071 -0.007080\n-3.096672 -1.755742 5.733210\nSb O\n4 8\ndirect\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.557799 0.301822 0.813663 O\n0.057795 0.313662 0.801820 O\n0.015750 0.705793 0.794273 O\n0.942206 0.686338 0.198179 O\n0.484252 0.705726 0.794208 O\n0.515749 0.294273 0.205791 O\n0.984251 0.294207 0.205727 O\n0.442202 0.698177 0.186336 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.789946370133531,
"density_atomic": 0.056281132430333065,
"volume": 213.21532602163003,
"volume_molar": 10.700105879096222,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.517941033333334,
"spacegroup": 74
},
{
"id": "jvasp-37186",
"created_at": "2022-09-04T14:38:04.902706Z",
"updated_at": "2022-09-04T14:38:04.902731Z",
"structure_string": "Y1 Ag2\n1.0\n3.734370 -0.000000 -0.000000\n-0.000000 3.734370 -0.000000\n-1.867184 -1.867184 4.588841\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669049 0.669049 0.338098 Ag\n0.330952 0.330952 0.661902 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Ag"
],
"chemical_system": "Ag-Y",
"density": 7.904993748652285,
"density_atomic": 0.046879562908055644,
"volume": 63.9937707159059,
"volume_molar": 12.845983167145043,
"formula_full": "Y1 Ag2",
"formula_reduced": "YAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5745566566666669,
"spacegroup": 139
},
{
"id": "jvasp-8",
"created_at": "2022-09-04T14:38:05.211675Z",
"updated_at": "2022-09-04T14:38:05.211693Z",
"structure_string": "Te8 Mo4\n1.0\n3.526439 0.000000 0.000000\n0.000000 6.370843 0.000000\n0.000000 0.000000 14.104775\nTe Mo\n8 4\ndirect\n0.000000 0.831321 0.654525 Te\n0.500000 0.168679 0.154525 Te\n0.000000 0.673651 0.110590 Te\n0.500000 0.326348 0.610590 Te\n0.000000 0.325670 0.860553 Te\n0.500000 0.674330 0.360552 Te\n0.000000 0.179491 0.404461 Te\n0.500000 0.820508 0.904461 Te\n0.000000 0.573350 0.500299 Mo\n0.500000 0.426650 0.000298 Mo\n0.000000 0.067535 0.014775 Mo\n0.500000 0.932465 0.514775 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.360205706935297,
"density_atomic": 0.03786882281002207,
"volume": 316.883364983402,
"volume_molar": 15.902635236937517,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.234690477777778,
"spacegroup": 62
},
{
"id": "jvasp-12558",
"created_at": "2022-09-04T14:38:11.772612Z",
"updated_at": "2022-09-04T14:38:11.772642Z",
"structure_string": "Mg4 H8\n1.0\n3.132082 -0.000000 0.000000\n-0.000000 5.258127 0.000000\n0.000000 0.000000 6.014893\nMg H\n4 8\ndirect\n0.250000 0.749956 0.599613 Mg\n0.749999 0.250045 0.400386 Mg\n0.250000 0.249955 0.900386 Mg\n0.749999 0.750045 0.099614 Mg\n0.250000 0.481856 0.163084 H\n0.749999 0.518145 0.836916 H\n0.250000 0.981856 0.336916 H\n0.749999 0.018145 0.663084 H\n0.749999 0.638111 0.422074 H\n0.250000 0.361889 0.577926 H\n0.749999 0.138111 0.077926 H\n0.250000 0.861889 0.922074 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.7648889860816208,
"density_atomic": 0.12114043949476788,
"volume": 99.05858068575264,
"volume_molar": 4.971205969795165,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2074363500000005,
"spacegroup": 62
},
{
"id": "jvasp-29534",
"created_at": "2022-09-04T14:38:04.967930Z",
"updated_at": "2022-09-04T14:38:04.967940Z",
"structure_string": "Cd6 I12\n1.0\n4.285839 -0.000000 -0.000000\n-2.142920 3.711646 0.000000\n0.000000 0.000000 41.278211\nCd I\n6 12\ndirect\n0.666667 0.333333 0.708366 Cd\n0.333333 0.666668 0.875023 Cd\n0.333333 0.666668 0.541657 Cd\n0.333333 0.666668 0.041637 Cd\n0.333333 0.666668 0.374997 Cd\n-0.000000 -0.000000 0.208321 Cd\n0.666667 0.333333 0.083667 I\n0.333333 0.666668 0.166322 I\n-0.000000 -0.000000 0.666336 I\n0.666667 0.333333 0.250349 I\n0.666667 0.333333 0.917024 I\n-0.000000 -0.000000 0.332988 I\n0.666667 0.333333 0.417010 I\n0.333333 0.666668 0.750365 I\n0.666667 0.333333 0.583668 I\n-0.000000 -0.000000 0.832994 I\n0.000000 0.000000 -0.000365 I\n-0.000000 -0.000000 0.499644 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556727086535544,
"density_atomic": 0.027412537415291455,
"volume": 656.6338506831955,
"volume_molar": 21.968563758861258,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 9.9999999999989e-05,
"spacegroup": 164
}
]
}