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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1136",
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"results": [
{
"id": "jvasp-34584",
"created_at": "2022-09-04T14:37:17.061284Z",
"updated_at": "2022-09-04T14:37:17.061305Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
"nsites": 12,
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"elements": [
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"density": 2.73172863490787,
"density_atomic": 0.08213886670838925,
"volume": 146.09405365431442,
"volume_molar": 7.331657960877282,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
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"spacegroup": 3
},
{
"id": "jvasp-34291",
"created_at": "2022-09-04T14:37:13.415396Z",
"updated_at": "2022-09-04T14:37:13.415427Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.304160 0.011656\n4.268538 0.000000 0.000000\n0.000000 -4.209095 -6.882113\nSi O\n4 8\ndirect\n0.305855 0.124101 0.880652 Si\n0.016182 0.538715 0.003894 Si\n0.016181 0.461285 0.503893 Si\n0.305856 0.875899 0.380652 Si\n0.980797 0.246210 0.660023 O\n0.340897 0.723954 0.579579 O\n0.340898 0.276046 0.079579 O\n0.661292 0.704977 0.389257 O\n0.142339 0.773389 0.881783 O\n0.142340 0.226611 0.381783 O\n0.980798 0.753790 0.160023 O\n0.661291 0.295024 0.889257 O\n",
"nsites": 12,
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"elements": [
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"density": 3.1615542361865656,
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"volume": 126.23199854974968,
"volume_molar": 6.334890530689236,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4890085333333336,
"spacegroup": 7
},
{
"id": "jvasp-40636",
"created_at": "2022-09-04T14:37:26.973476Z",
"updated_at": "2022-09-04T14:37:26.973501Z",
"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.353633894357978,
"density_atomic": 0.07286396385318314,
"volume": 192.1388744127238,
"volume_molar": 8.26490962272418,
"formula_full": "Si4 O10",
"formula_reduced": "Si2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.6731521,
"spacegroup": 46
},
{
"id": "jvasp-86336",
"created_at": "2022-09-04T14:36:11.821853Z",
"updated_at": "2022-09-04T14:36:11.821873Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 0.000000 0.000000\n-0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 7.194381358419409,
"density_atomic": 0.08934809699817921,
"volume": 134.30616211383375,
"volume_molar": 6.740088443207383,
"formula_full": "Si4 Ni8",
"formula_reduced": "SiNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.381861133333333,
"spacegroup": 62
},
{
"id": "jvasp-85837",
"created_at": "2022-09-04T14:35:46.651826Z",
"updated_at": "2022-09-04T14:35:46.651854Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 -0.000000 0.000000\n0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 7.194381358419409,
"density_atomic": 0.08934809699817921,
"volume": 134.30616211383375,
"volume_molar": 6.740088443207383,
"formula_full": "Si4 Ni8",
"formula_reduced": "SiNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.381861133333333,
"spacegroup": 62
},
{
"id": "jvasp-112350",
"created_at": "2022-09-04T14:38:27.244140Z",
"updated_at": "2022-09-04T14:38:27.244160Z",
"structure_string": "Si4 Ni4 W4\n1.0\n4.723530 -0.002505 0.000000\n-2.224610 4.166876 0.000000\n0.000000 0.000000 7.663245\nSi Ni W\n4 4 4\ndirect\n0.353799 0.158464 -0.000000 Si\n0.841537 0.646203 -0.000000 Si\n0.989832 0.010170 0.270861 Si\n0.989832 0.010170 0.729138 Si\n0.165263 0.834739 0.500000 Ni\n0.649862 0.832808 0.500000 Ni\n0.167194 0.350140 0.500000 Ni\n0.852185 0.147816 -0.000000 Ni\n0.336173 0.663828 0.812803 W\n0.659129 0.340873 0.691521 W\n0.659129 0.340873 0.308479 W\n0.336173 0.663828 0.187196 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Si",
"Ni",
"W"
],
"chemical_system": "Ni-Si-W",
"density": 11.92065795605562,
"density_atomic": 0.0795818919387994,
"volume": 150.78807135206486,
"volume_molar": 7.567224921758818,
"formula_full": "Si4 Ni4 W4",
"formula_reduced": "SiNiW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5755370000000006,
"spacegroup": 38
},
{
"id": "jvasp-117236",
"created_at": "2022-09-04T14:38:49.319422Z",
"updated_at": "2022-09-04T14:38:49.319443Z",
"structure_string": "Si4 Ni4 N8\n1.0\n5.151596 -0.000000 0.000000\n0.000000 6.305590 0.000000\n0.000000 -0.000000 4.960361\nSi Ni N\n4 4 8\ndirect\n0.573796 0.375680 0.005568 Si\n0.426204 0.624320 0.505568 Si\n0.926205 0.875680 0.505568 Si\n0.073796 0.124320 0.005568 Si\n0.570239 0.876379 0.001676 Ni\n0.429761 0.123621 0.501676 Ni\n0.929762 0.376379 0.501676 Ni\n0.070239 0.623621 0.001676 Ni\n0.560212 0.400006 0.356978 N\n0.439789 0.599994 0.856978 N\n0.939789 0.900006 0.856978 N\n0.060211 0.099994 0.356978 N\n0.602886 0.847851 0.405777 N\n0.397114 0.152149 0.905777 N\n0.897115 0.347851 0.905777 N\n0.102886 0.652149 0.405777 N\n",
"nsites": 16,
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"elements": [
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"Ni",
"N"
],
"chemical_system": "N-Ni-Si",
"density": 4.7319596861187465,
"density_atomic": 0.09929769613571746,
"volume": 161.13163368998636,
"volume_molar": 6.0647336185616005,
"formula_full": "Si4 Ni4 N8",
"formula_reduced": "SiNiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.495694375,
"spacegroup": 33
},
{
"id": "jvasp-90627",
"created_at": "2022-09-04T14:35:46.331693Z",
"updated_at": "2022-09-04T14:35:46.331727Z",
"structure_string": "Si4 Ni4\n1.0\n4.539732 -0.000000 -0.000000\n-0.000000 4.539732 -0.000000\n0.000000 -0.000000 4.539732\nSi Ni\n4 4\ndirect\n0.654191 0.154191 0.345809 Si\n0.154191 0.345809 0.654191 Si\n0.345809 0.654191 0.154191 Si\n0.845809 0.845809 0.845809 Si\n0.351072 0.851072 0.648928 Ni\n0.851072 0.648928 0.351072 Ni\n0.648928 0.351072 0.851072 Ni\n0.148928 0.148928 0.148928 Ni\n",
"nsites": 8,
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"elements": [
"Si",
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],
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"density": 6.160735783737197,
"density_atomic": 0.0855065415386818,
"volume": 93.56009325182363,
"volume_molar": 7.042900638515101,
"formula_full": "Si4 Ni4",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.2469904999999997,
"spacegroup": 198
},
{
"id": "jvasp-14672",
"created_at": "2022-09-04T14:36:31.916812Z",
"updated_at": "2022-09-04T14:36:31.916843Z",
"structure_string": "Si4 Ni4\n1.0\n3.371982 -0.000000 0.000000\n-0.000000 5.209392 0.000000\n0.000000 0.000000 5.663501\nSi Ni\n4 4\ndirect\n0.750000 0.817904 0.582946 Si\n0.250000 0.182095 0.417054 Si\n0.750000 0.317905 0.917054 Si\n0.250000 0.682095 0.082946 Si\n0.250000 0.506773 0.690317 Ni\n0.750000 0.493226 0.309683 Ni\n0.250000 0.006774 0.809683 Ni\n0.750000 0.993226 0.190317 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
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],
"chemical_system": "Ni-Si",
"density": 5.793832847392682,
"density_atomic": 0.08041419506116813,
"volume": 99.48492295315141,
"volume_molar": 7.4889026190204095,
"formula_full": "Si4 Ni4",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.1737304999999998,
"spacegroup": 62
},
{
"id": "jvasp-100354",
"created_at": "2022-09-04T14:36:38.071170Z",
"updated_at": "2022-09-04T14:36:38.071190Z",
"structure_string": "Si4 Ni2 Pd2\n1.0\n3.412091 0.000000 0.000000\n0.000000 5.457503 0.000000\n0.000000 0.000000 5.945829\nSi Ni Pd\n4 2 2\ndirect\n0.500000 0.321774 0.692597 Si\n0.500000 0.821773 0.307403 Si\n0.000000 0.682551 0.848817 Si\n0.000000 0.182552 0.151183 Si\n0.500000 0.494579 0.053268 Ni\n0.500000 0.994579 0.946732 Ni\n0.000000 0.501095 0.434067 Pd\n0.000000 0.001095 0.565933 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Si",
"density": 6.637474845666917,
"density_atomic": 0.07225418118110243,
"volume": 110.7202361057597,
"volume_molar": 8.334660585116488,
"formula_full": "Si4 Ni2 Pd2",
"formula_reduced": "Si2NiPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.130548825,
"spacegroup": 26
},
{
"id": "jvasp-9603",
"created_at": "2022-09-04T14:37:58.149874Z",
"updated_at": "2022-09-04T14:37:58.149907Z",
"structure_string": "Si4 N4 O2\n1.0\n4.893879 -0.000000 0.000000\n0.000000 4.712626 -2.349608\n0.000000 -0.013274 5.265865\nSi N O\n4 4 2\ndirect\n0.728762 0.024405 0.671499 Si\n0.228762 0.975597 0.328500 Si\n0.228762 0.328502 0.975595 Si\n0.728762 0.671500 0.024404 Si\n0.383528 0.092728 0.658982 N\n0.883528 0.907274 0.341017 N\n0.883528 0.341018 0.907272 N\n0.383528 0.658983 0.092727 N\n0.782700 0.783899 0.783897 O\n0.282699 0.216103 0.216102 O\n",
"nsites": 10,
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"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 2.7430696369109797,
"density_atomic": 0.08244422488300841,
"volume": 121.29412356281343,
"volume_molar": 7.304502854560951,
"formula_full": "Si4 N4 O2",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69878744,
"spacegroup": 36
},
{
"id": "jvasp-9840",
"created_at": "2022-09-04T14:38:09.649405Z",
"updated_at": "2022-09-04T14:38:09.649443Z",
"structure_string": "Si4 Mo2 O12\n1.0\n5.226024 0.121577 1.208086\n1.415580 6.418691 0.655216\n0.189476 0.023723 6.602749\nSi Mo O\n4 2 12\ndirect\n0.233777 0.218110 0.392606 Si\n0.266228 0.607393 0.781889 Si\n0.733777 0.392606 0.218111 Si\n0.766229 0.781889 0.607394 Si\n0.249999 0.093726 0.906272 Mo\n0.749998 0.906273 0.093726 Mo\n0.649671 0.953157 0.798456 O\n0.850324 0.201546 0.046842 O\n0.697400 0.624456 0.103472 O\n0.802581 0.896533 0.375547 O\n0.302582 0.375545 0.896533 O\n0.548754 0.640824 0.639421 O\n0.951262 0.360595 0.359163 O\n0.350324 0.046841 0.201547 O\n0.048754 0.639419 0.640825 O\n0.451263 0.359163 0.360594 O\n0.197402 0.103470 0.624456 O\n0.149673 0.798455 0.953158 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-O-Si",
"density": 3.7650118712986678,
"density_atomic": 0.082246995913384,
"volume": 218.85297815565409,
"volume_molar": 7.322019112214189,
"formula_full": "Si4 Mo2 O12",
"formula_reduced": "Si2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2355649000000004,
"spacegroup": 15
}
]
}