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{
"id": "jvasp-78750",
"created_at": "2022-09-04T14:36:32.849701Z",
"updated_at": "2022-09-04T14:36:32.849731Z",
"structure_string": "Ca1 Mg1 Sn1\n1.0\n4.267120 -0.000000 2.463623\n1.422373 4.023079 2.463623\n-0.000000 -0.000000 4.927245\nCa Mg Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
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"created_at": "2022-09-04T14:35:48.276742Z",
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"structure_string": "Ca1 Mg1 S2\n1.0\n3.692719 0.002653 5.551865\n1.679714 3.288577 5.551865\n0.004331 0.002653 6.667786\nCa Mg S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500002 Mg\n0.243155 0.243155 0.243156 S\n0.756845 0.756844 0.756847 S\n",
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{
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"updated_at": "2022-09-04T14:38:37.050723Z",
"structure_string": "Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n",
"nsites": 10,
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"elements": [
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"density": 3.8811769391606257,
"density_atomic": 0.03894911336771659,
"volume": 256.74525388012074,
"volume_molar": 15.461560583280233,
"formula_full": "Ca1 Mg1 P2 Se6",
"formula_reduced": "CaMg(PSe3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 146
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{
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"created_at": "2022-09-04T14:38:17.815952Z",
"updated_at": "2022-09-04T14:38:17.815982Z",
"structure_string": "Ca1 Mg1 Ni4\n1.0\n4.283372 0.000000 2.473006\n1.427790 4.038402 2.473006\n-0.000000 -0.000000 4.946012\nCa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mg\n0.624261 0.624261 0.624262 Ni\n0.624261 0.624261 0.127217 Ni\n0.127216 0.624261 0.624261 Ni\n0.624261 0.127216 0.624261 Ni\n",
"nsites": 6,
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"elements": [
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"density": 5.806269350821944,
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"volume": 85.55600701867324,
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"formula_full": "Ca1 Mg1 Ni4",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.215658713871642,
"density_atomic": 0.042508406577114924,
"volume": 94.09903409913896,
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"formula_full": "Ca1 Mg1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-106497",
"created_at": "2022-09-04T14:36:47.540726Z",
"updated_at": "2022-09-04T14:36:47.540745Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n4.448638 -0.000000 2.568422\n1.482879 4.194216 2.568422\n-0.000000 -0.000000 5.136844\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750001 0.749998 Cd\n0.250000 0.250000 0.249999 Cd\n",
"nsites": 4,
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"volume": 95.84605382430595,
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"formula_full": "Ca1 Mg1 Cd2",
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{
"id": "jvasp-21368",
"created_at": "2022-09-04T14:37:59.226791Z",
"updated_at": "2022-09-04T14:37:59.226802Z",
"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
"nsites": 10,
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"elements": [
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"density": 2.8422720069779297,
"density_atomic": 0.09282260223461024,
"volume": 107.73238154565932,
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"formula_full": "Ca1 Mg1 C2 O6",
"formula_reduced": "CaMg(CO3)2",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-71026",
"created_at": "2022-09-04T14:36:16.963694Z",
"updated_at": "2022-09-04T14:36:16.963732Z",
"structure_string": "Ca1 Mg1 Be2\n1.0\n4.653712 0.000000 0.000000\n0.000000 4.653712 0.000000\n-0.000000 -0.000000 3.398764\nCa Mg Be\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ca\n0.500000 0.500000 0.499999 Mg\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n",
"nsites": 4,
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"density_atomic": 0.05434254526692206,
"volume": 73.60715219268121,
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"formula_full": "Ca1 Mg1 Be2",
"formula_reduced": "CaMgBe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-68306",
"created_at": "2022-09-04T14:36:00.687141Z",
"updated_at": "2022-09-04T14:36:00.687167Z",
"structure_string": "Ca1 Mg1 Be1\n1.0\n2.319182 -4.016939 -0.000000\n2.319182 4.016939 0.000000\n0.000000 0.000000 3.734721\nCa Mg Be\n1 1 1\ndirect\n0.666667 0.333333 0.333331 Ca\n0.333333 0.666667 0.833355 Mg\n0.000000 -0.000000 0.833315 Be\n",
"nsites": 3,
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"formula_full": "Ca1 Mg1 Be1",
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},
{
"id": "jvasp-67307",
"created_at": "2022-09-04T14:35:42.291537Z",
"updated_at": "2022-09-04T14:35:42.291557Z",
"structure_string": "Ca1 Mg1 Be1\n1.0\n-1.669583 1.669583 5.856159\n1.669583 -1.669583 5.856159\n1.669583 1.669583 -5.856159\nCa Mg Be\n1 1 1\ndirect\n0.352524 0.352524 0.000000 Ca\n0.631469 0.631469 0.000000 Mg\n0.016007 0.016007 0.000000 Be\n",
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},
{
"id": "jvasp-78309",
"created_at": "2022-09-04T14:37:09.096008Z",
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"structure_string": "Ca1 Mg1\n1.0\n3.693766 -0.000000 0.000000\n-1.846882 3.198895 -0.000000\n-0.000000 -0.000000 5.482306\nCa Mg\n1 1\ndirect\n0.333334 0.666668 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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{
"id": "jvasp-118678",
"created_at": "2022-09-04T14:38:52.223176Z",
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"structure_string": "Ca1 Mg1\n1.0\n3.350609 -0.000000 0.000000\n0.000000 3.350609 0.000000\n0.000000 -0.000000 6.683909\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.250004 Ca\n0.000000 0.000000 0.749997 Mg\n",
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